| 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 | 45.4 | Very low | 51.2 | Low | 46 Ų | 46 | 65 Ų | 65 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | 0 | 97.1 | 0 | -69.1 | -167.4 | -158.5 | 0 | 0 | 109.4 | I35 I37 F46 F56 S459 G460 | M1-I35 HydrophobicContact CE-CB 3.72Å; M1-I35 HydrophobicContact CE-CD1 3.61Å; M1-I35 HydrophobicContact CE-CG1 4.28Å; M1-I35 HydrophobicContact CE-CG2 3.63Å; M1-I37 HydrophobicContact CE-CD1 4.2Å; M1-I37 HydrophobicContact SD-CD1 3.89Å; M1-F46 HydrophobicContact CE-CB 3.5Å; M1-F46 VanDerWaalsContact CE-CB 3.5Å; M1-F46 HydrophobicContact CE-CD1 4.01Å; M1-F46 HydrophobicContact CE-CD2 3.66Å; M1-F46 HydrophobicContact CE-CE2 4.39Å; M1-F46 HydrophobicContact CE-CG 3.44Å; M1-F46 VanDerWaalsContact CE-CG 3.44Å; M1-F46 HydrophobicContact CG-CD1 4.46Å; M1-F46 HydrophobicContact SD-CD1 3.94Å; M1-F46 HydrophobicContact SD-CD2 3.91Å; M1-F46 HydrophobicContact SD-CE1 4.08Å; M1-F46 HydrophobicContact SD-CE2 4.06Å; M1-F46 HydrophobicContact SD-CG 3.85Å; M1-F46 HydrophobicContact SD-CZ 4.13Å; M1-F56 HydrophobicContact CE-CB 4.36Å; M1-F56 HydrophobicContact CG-CB 4.21Å; M1-S459 CarbonylContact C-O 3.57Å; M1-S459 CarbonylContact O-C 3.58Å; M1-G460 WeakPolarHBondContact CA-O 3.17Å; M1-G460 VanDerWaalsContact CB-O 3.31Å; M1-G460 WeakPolarHBondContact CB-O 3.36Å; M1-G460 PolarHBondContact N-O 2.8Å; M1-G460 CarbonylContact O-C 3.59Å; M1-G460 WeakPolarHBondContact O-CA 3.26Å; M1-G460 PolarHBondContact O-N 3.2Å | |||
| 2 | S | 49.7 | Very low | 51.2 | Low | 55 Ų | 55 | 64.2 Ų | 64.2 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | trans | -66.8 | 148.7 | 176.8 | 63 | 0 | 0 | 0 | 0 | 112.4 | D4 V5 S459 | S2-D4 PolarHBondContact O-N 2.97Å; S2-V5 WeakPolarHBondContact O-CB 3.42Å; S2-V5 PolarHBondContact O-N 2.81Å; S2-S459 VanDerWaalsContact CA-O 3.28Å; S2-S459 WeakPolarHBondContact CA-O 3.5Å | ||
| 3 | L | 47.3 | Very low | 50.9 | Low | 71 Ų | 71 | 72.2 Ų | 72.2 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -47.6 | -31.3 | 169.1 | -164 | 90.4 | 0 | 0 | 0 | 111.9 | V5 L6 L7 W20 | L3-V5 PolarHBondContact O-N 3.46Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.12Å; L3-L7 HydrophobicContact CD2-CD1 4.08Å; L3-L7 HydrophobicContact CG-CD1 4.42Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-W20 HydrophobicContact CD1-CZ2 4.28Å |
| 4 | D | 52.7 | Low | 50.8 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58 | -31.2 | 174.8 | -60.7 | -34.3 | 0 | 0 | 0 | 113.2 | S2 L7 K8 | S2-D4 PolarHBondContact O-N 2.97Å; D4-L7 PolarHBondContact O-N 3.06Å; D4-K8 WeakPolarHBondContact O-CB 3.4Å; D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 3.09Å |
| 5 | V | 55 | Low | 50.9 | Low | 39 Ų | 39 | 75.3 Ų | 75.3 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.5 | -37.9 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | S2 L3 K8 C9 F46 | S2-V5 WeakPolarHBondContact O-CB 3.42Å; S2-V5 PolarHBondContact O-N 2.81Å; L3-V5 PolarHBondContact O-N 3.46Å; V5-K8 PolarHBondContact O-N 3.09Å; V5-C9 PolarHBondContact O-SG 2.82Å; V5-F46 HydrophobicContact CG1-CE1 3.77Å; V5-F46 HydrophobicContact CG1-CZ 4.34Å |
| 6 | L | 53.4 | Low | 51.2 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 172.5 | -73.9 | 168.4 | 0 | 0 | 0 | 110.8 | L3 K8 C9 F11 L16 W20 L44 | L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.12Å; L6-K8 VanDerWaalsContact C-N 3.25Å; L6-K8 PolarHBondContact O-N 3.47Å; L6-C9 WeakPolarHBondContact O-CB 3.37Å; L6-C9 PolarHBondContact O-N 3.39Å; L6-F11 WeakPolarHBondContact O-CD2 3.37Å; L6-L16 HydrophobicContact CB-CD1 4.5Å; L6-W20 HydrophobicContact CD1-CD2 4.15Å; L6-W20 HydrophobicContact CD1-CE3 3.87Å; L6-W20 HydrophobicContact CD1-CH2 3.43Å; L6-W20 VanDerWaalsContact CD1-CH2 3.43Å; L6-W20 HydrophobicContact CD1-CZ2 3.72Å; L6-W20 HydrophobicContact CD1-CZ3 3.51Å; L6-L44 HydrophobicContact CD2-CD1 3.58Å |
| 7 | L | 50.7 | Low | 51.4 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 175.9 | -71.5 | 168 | 0 | 0 | 0 | 112.7 | L3 D4 C9 D10 E13 L16 | L3-L7 HydrophobicContact CD2-CD1 4.08Å; L3-L7 HydrophobicContact CG-CD1 4.42Å; L3-L7 PolarHBondContact O-N 3.34Å; D4-L7 PolarHBondContact O-N 3.06Å; L7-C9 PolarHBondContact O-N 3.44Å; L7-D10 PolarHBondContact O-N 3.24Å; L7-E13 HydrophobicContact CD2-CG 4.07Å; L7-L16 HydrophobicContact CD2-CD1 4.46Å |
| 8 | K | 51.5 | Low | 51.7 | Low | 171 Ų | 171 | 73.6 Ų | 73.6 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -15.6 | 172.5 | -81.4 | 173.6 | -177.3 | 177 | 0 | 114.2 | D4 V5 L6 D10 | D4-K8 WeakPolarHBondContact O-CB 3.4Å; D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 3.09Å; V5-K8 PolarHBondContact O-N 3.09Å; L6-K8 VanDerWaalsContact C-N 3.25Å; L6-K8 PolarHBondContact O-N 3.47Å; K8-D10 VanDerWaalsContact C-N 3.27Å; K8-D10 PolarHBondContact O-N 3.48Å |
| 9 | C | 52.2 | Low | 52.2 | Low | 15 Ų | 15 | 73.5 Ų | 73.5 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 24.6 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | V5 L6 L7 F11 R42 | V5-C9 PolarHBondContact O-SG 2.82Å; L6-C9 WeakPolarHBondContact O-CB 3.37Å; L6-C9 PolarHBondContact O-N 3.39Å; L7-C9 PolarHBondContact O-N 3.44Å; C9-F11 VanDerWaalsContact C-N 3.28Å; C9-F11 HydrophobicContact CB-CD2 3.92Å; C9-F11 HydrophobicContact CB-CE2 3.89Å; C9-F11 PolarHBondContact O-N 3.35Å; C9-R42 PolarHBondContact O-NH1 3.37Å |
| 10 | D | 52.7 | Low | 53 | Low | 140 Ų | 140 | 70.9 Ų | 70.9 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 36.8 | -178.1 | -69.1 | -28.1 | 0 | 0 | 0 | 113.9 | L7 K8 | L7-D10 PolarHBondContact O-N 3.24Å; K8-D10 VanDerWaalsContact C-N 3.27Å; K8-D10 PolarHBondContact O-N 3.48Å |
| 11 | F | 52.8 | Low | 53.8 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | trans | -80.8 | 122.3 | 162.9 | -71.6 | -80.4 | 0 | 0 | 0 | 108.1 | L6 C9 L16 L39 R42 L44 | L6-F11 WeakPolarHBondContact O-CD2 3.37Å; C9-F11 VanDerWaalsContact C-N 3.28Å; C9-F11 HydrophobicContact CB-CD2 3.92Å; C9-F11 HydrophobicContact CB-CE2 3.89Å; C9-F11 PolarHBondContact O-N 3.35Å; F11-L16 HydrophobicContact CB-CD1 3.51Å; F11-L16 HydrophobicContact CB-CG 4.18Å; F11-L16 HydrophobicContact CG-CD1 4.11Å; F11-L39 HydrophobicContact CD1-CD2 3.92Å; F11-L39 HydrophobicContact CE1-CD2 3.37Å; F11-L39 HydrophobicContact CE1-CG 4.24Å; F11-L39 HydrophobicContact CZ-CD2 3.76Å; F11-R42 HydrophobicContact CZ-CB 4.49Å; F11-L44 HydrophobicContact CE2-CD1 4.12Å | ||
| 12 | S | 50.8 | Low | 55 | Low | 55 Ų | 55 | 70 Ų | 70 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -64.1 | 142.8 | 172 | 67.9 | 0 | 0 | 0 | 0 | 109.2 | A14 E15 | S12-A14 PolarHBondContact O-N 2.72Å; S12-E15 WeakPolarHBondContact O-CB 3.33Å; S12-E15 PolarHBondContact O-N 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.21Å; S12-E15 PolarHBondContact OG-N 3.48Å | ||
| 13 | E | 47.8 | Very low | 56 | Low | 169 Ų | 169 | 72.5 Ų | 72.5 | 79% | 0.79 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.6 | 173.1 | -78.5 | -178.5 | 156.2 | 0 | 0 | 112.3 | L7 | L7-E13 HydrophobicContact CD2-CG 4.07Š|
| 14 | A | 49.8 | Very low | 57.5 | Low | 100 Ų | 100 | 69.3 Ų | 69.3 | 83% | 0.826 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S12 | S12-A14 PolarHBondContact O-N 2.72Š|
| 15 | E | 52.1 | Low | 58.9 | Low | 90 Ų | 90 | 67.3 Ų | 67.3 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -21.6 | -178.9 | -81.4 | 175.3 | 170 | 0 | 0 | 113.8 | S12 P17 | S12-E15 WeakPolarHBondContact O-CB 3.33Å; S12-E15 PolarHBondContact O-N 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.21Å; S12-E15 PolarHBondContact OG-N 3.48Å; E15-P17 WeakPolarHBondContact O-CD 3.45Å |
| 16 | L | 55.2 | Low | 60.2 | Low | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -99.4 | 99.4 | 176.7 | -79.3 | 154.9 | 0 | 0 | 0 | 109.3 | L6 L7 F11 W20 L39 | L6-L16 HydrophobicContact CB-CD1 4.5Å; L7-L16 HydrophobicContact CD2-CD1 4.46Å; F11-L16 HydrophobicContact CB-CD1 3.51Å; F11-L16 HydrophobicContact CB-CG 4.18Å; F11-L16 HydrophobicContact CG-CD1 4.11Å; L16-W20 HydrophobicContact CB-CB 4.46Å; L16-W20 HydrophobicContact CD2-CB 3.56Å; L16-W20 HydrophobicContact CD2-CD2 4.34Å; L16-W20 HydrophobicContact CD2-CG 3.92Å; L16-L39 HydrophobicContact CD2-CD2 4.19Å |
| 17 | P | 55.1 | Low | 61.6 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | trans | -57.2 | 155 | 171.7 | 11.7 | -15.4 | 0 | 0 | 0 | 110.3 | E15 D19 W20 | E15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-D19 PolarHBondContact O-N 3.19Å; P17-W20 WeakPolarHBondContact O-CB 3.41Å; P17-W20 PolarHBondContact O-N 3.47Å | ||
| 18 | S | 56.9 | Low | 62.9 | Low | 107 Ų | 107 | 63.8 Ų | 63.8 | 75% | 0.748 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -28.4 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 19 | D | 61.5 | Low | 63.9 | Low | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 37.9 | 176.4 | -57.8 | -25.2 | 0 | 0 | 0 | 112.4 | P17 I21 Q22 N23 | P17-D19 PolarHBondContact O-N 3.19Å; D19-I21 PolarHBondContact O-N 2.96Å; D19-I21 VanDerWaalsContact O-N 3.14Å; D19-Q22 PolarHBondContact O-N 3.25Å; D19-N23 PolarHBondContact O-ND2 3.49Å |
| 20 | W | 67 | Low | 64.5 | Low | 21 Ų | 21 | 55.2 Ų | 55.2 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.8 | -37.7 | -178.3 | 69.5 | -89.3 | 0 | 0 | 0 | 112.4 | L3 L6 L16 P17 Q22 N23 V24 F26 | L3-W20 HydrophobicContact CD1-CZ2 4.28Å; L6-W20 HydrophobicContact CD1-CD2 4.15Å; L6-W20 HydrophobicContact CD1-CE3 3.87Å; L6-W20 HydrophobicContact CD1-CH2 3.43Å; L6-W20 VanDerWaalsContact CD1-CH2 3.43Å; L6-W20 HydrophobicContact CD1-CZ2 3.72Å; L6-W20 HydrophobicContact CD1-CZ3 3.51Å; L16-W20 HydrophobicContact CB-CB 4.46Å; L16-W20 HydrophobicContact CD2-CB 3.56Å; L16-W20 HydrophobicContact CD2-CD2 4.34Å; L16-W20 HydrophobicContact CD2-CG 3.92Å; P17-W20 WeakPolarHBondContact O-CB 3.41Å; P17-W20 PolarHBondContact O-N 3.47Å; W20-Q22 PolarHBondContact O-N 3.48Å; W20-N23 PolarHBondContact O-N 3.41Å; W20-V24 HydrophobicContact CE3-CG2 3.93Å; W20-V24 HydrophobicContact CZ3-CG2 4.43Å; W20-V24 WeakPolarHBondContact O-CG2 3.32Å; W20-V24 PolarHBondContact O-N 3.35Å; W20-F26 HydrophobicContact CZ3-CZ 4.08Å |
| 21 | I | 70.7 | Confident | 65.1 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -34.7 | 179.9 | -66.8 | -174.4 | 0 | 0 | 0 | 111.9 | D19 F26 R428 D457 S458 | D19-I21 PolarHBondContact O-N 2.96Å; D19-I21 VanDerWaalsContact O-N 3.14Å; I21-F26 HydrophobicContact CG2-CE2 4.48Å; I21-R428 HydrophobicContact CG2-CB 3.42Å; I21-R428 VanDerWaalsContact CG2-CB 3.42Å; I21-R428 HydrophobicContact CG2-CG 4.31Å; I21-R428 WeakPolarHBondContact O-CD 3.34Å; I21-R428 PolarHBondContact O-NH1 3.27Å; I21-D457 WeakPolarHBondContact CD1-O 3.26Å; I21-S458 VanDerWaalsContact CD1-CA 3.46Å |
| 22 | Q | 70.4 | Confident | 65.5 | Low | 93 Ų | 93 | 52 Ų | 52 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78 | -23.8 | -179.3 | -66 | -173.1 | -3 | 0 | 0 | 112.8 | D19 W20 | D19-Q22 PolarHBondContact O-N 3.25Å; W20-Q22 PolarHBondContact O-N 3.48Å |
| 23 | N | 70.8 | Confident | 66.5 | Low | 109 Ų | 109 | 53 Ų | 53 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -96.9 | -4.1 | -174.9 | -68.4 | -47.5 | 0 | 0 | 0 | 114.2 | D19 W20 | D19-N23 PolarHBondContact O-ND2 3.49Å; W20-N23 PolarHBondContact O-N 3.41Å |
| 24 | V | 78 | Confident | 67.8 | Low | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -91.3 | 152.6 | -179.4 | 162 | 0 | 0 | 0 | 0 | 111.3 | W20 F26 I37 L39 R428 | W20-V24 HydrophobicContact CE3-CG2 3.93Å; W20-V24 HydrophobicContact CZ3-CG2 4.43Å; W20-V24 WeakPolarHBondContact O-CG2 3.32Å; W20-V24 PolarHBondContact O-N 3.35Å; V24-F26 HydrophobicContact CB-CE2 3.95Å; V24-F26 HydrophobicContact CB-CZ 4.22Å; V24-F26 HydrophobicContact CG1-CD1 4.37Å; V24-F26 HydrophobicContact CG1-CD2 3.97Å; V24-F26 HydrophobicContact CG1-CE1 4.01Å; V24-F26 HydrophobicContact CG1-CE2 3.56Å; V24-F26 HydrophobicContact CG1-CG 4.35Å; V24-F26 HydrophobicContact CG1-CZ 3.59Å; V24-I37 HydrophobicContact CG1-CB 4.47Å; V24-I37 HydrophobicContact CG1-CG2 3.37Å; V24-L39 HydrophobicContact CG2-CB 4.25Å; V24-L39 HydrophobicContact CG2-CD1 3.82Å; V24-L39 HydrophobicContact CG2-CG 4.46Å; V24-R428 PolarHBondContact O-NH1 2.9Å; V24-R428 PolarHBondContact O-NH2 2.81Å |
| 25 | L | 82.2 | Confident | 69.1 | Low | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.8 | 168.4 | -65.7 | 169.8 | 0 | 0 | 0 | 109.2 | I37 G38 I68 K69 I71 | L25-I37 CarbonylContact O-C 3.32Å; L25-I37 WeakPolarHBondContact O-CA 3.42Å; L25-G38 PolarHBondContact N-O 3.28Å; L25-G38 PolarHBondContact O-N 3.16Å; L25-I68 HydrophobicContact CD1-CG2 3.98Å; L25-K69 VanDerWaalsContact CD1-C 3.49Å; L25-I71 HydrophobicContact CB-CD1 4.15Å |
| 26 | F | 82.8 | Confident | 70.6 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.2 | 174 | -66.7 | -84.4 | 0 | 0 | 0 | 110 | W20 I21 V24 I35 I36 I37 R428 I430 L456 | W20-F26 HydrophobicContact CZ3-CZ 4.08Å; I21-F26 HydrophobicContact CG2-CE2 4.48Å; V24-F26 HydrophobicContact CB-CE2 3.95Å; V24-F26 HydrophobicContact CB-CZ 4.22Å; V24-F26 HydrophobicContact CG1-CD1 4.37Å; V24-F26 HydrophobicContact CG1-CD2 3.97Å; V24-F26 HydrophobicContact CG1-CE1 4.01Å; V24-F26 HydrophobicContact CG1-CE2 3.56Å; V24-F26 HydrophobicContact CG1-CG 4.35Å; V24-F26 HydrophobicContact CG1-CZ 3.59Å; F26-I35 HydrophobicContact CD1-CG2 4.48Å; F26-I36 WeakPolarHBondContact CA-O 3.35Å; F26-I37 HydrophobicContact CD1-CD1 4.31Å; F26-I37 HydrophobicContact CD1-CG1 3.89Å; F26-I37 HydrophobicContact CE1-CD1 3.7Å; F26-I37 HydrophobicContact CE1-CG1 3.76Å; F26-I37 HydrophobicContact CE1-CG2 4.46Å; F26-R428 VanDerWaalsContact CE2-NH1 3.31Å; F26-I430 HydrophobicContact CB-CD1 3.6Å; F26-I430 HydrophobicContact CD1-CD1 4.31Å; F26-I430 HydrophobicContact CD2-CD1 3.76Å; F26-I430 HydrophobicContact CG-CD1 3.65Å; F26-L456 HydrophobicContact CD1-CD1 3.84Å; F26-L456 HydrophobicContact CD2-CD1 4.41Å; F26-L456 HydrophobicContact CE1-CD1 3.64Å; F26-L456 HydrophobicContact CE2-CD1 4.25Å; F26-L456 HydrophobicContact CG-CD1 4.23Å; F26-L456 HydrophobicContact CZ-CD1 3.87Å |
| 27 | S | 83.6 | Confident | 71.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.3 | 164.1 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | I36 C73 E433 | S27-I36 PolarHBondContact N-O 2.91Å; S27-I36 VanDerWaalsContact N-O 3.1Å; S27-I36 PolarHBondContact O-N 3.26Å; S27-I36 VanDerWaalsContact O-N 3.11Å; S27-C73 PolarHBondContact OG-N 3.44Å; S27-E433 WeakPolarHBondContact CB-OE1 3.47Å; S27-E433 VanDerWaalsContact OG-CD 3.32Å; S27-E433 PolarHBondContact OG-OE1 3.45Å |
| 28 | I | 77.7 | Confident | 73.3 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -126.1 | 113.2 | -177.4 | -55.4 | 177.8 | 0 | 0 | 0 | 107.3 | V32 I35 I430 T432 E433 V454 | I28-V32 HydrophobicContact CG2-CG1 4.49Å; I28-V32 HydrophobicContact CG2-CG2 4Å; I28-I35 HydrophobicContact CG1-CG1 4.4Å; I28-I35 HydrophobicContact CG1-CG2 4.25Å; I28-I430 HydrophobicContact CD1-CD1 4.06Å; I28-I430 HydrophobicContact CD1-CG2 4.18Å; I28-T432 HydrophobicContact CG2-CG2 4.21Å; I28-T432 WeakPolarHBondContact O-CA 3.48Å; I28-E433 PolarHBondContact O-N 3Å; I28-V454 HydrophobicContact CD1-CG1 4.38Å | ||
| 29 | P | 72.2 | Confident | 74.5 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 157.1 | 172.7 | 30.5 | -32 | 0 | 0 | 0 | 110.2 | D31 V32 I34 | P29-D31 PolarHBondContact O-N 3.19Å; P29-D31 VanDerWaalsContact O-N 3.09Å; P29-V32 PolarHBondContact O-N 3.37Å; P29-I34 WeakPolarHBondContact CD-O 3.47Å |
| 30 | S | 65.3 | Low | 75.6 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26 | -176.6 | 53.9 | 0 | 0 | 0 | 0 | 115.3 | V32 E433 Y450 Y451 | S30-V32 VanDerWaalsContact C-N 3.33Å; S30-E433 PolarHBondContact N-O 3.18Å; S30-Y450 WeakPolarHBondContact O-CD1 3.49Å; S30-Y450 WeakPolarHBondContact OG-CD1 3.48Å; S30-Y451 PolarHBondContact O-N 2.79Å |
| 31 | D | 64.4 | Low | 76.4 | Confident | 74 Ų | 74 | 31.8 Ų | 31.8 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.9 | 178.2 | -162.9 | 14.5 | 0 | 0 | 0 | 113.1 | P29 K33 Y450 | P29-D31 PolarHBondContact O-N 3.19Å; P29-D31 VanDerWaalsContact O-N 3.09Å; D31-K33 WeakPolarHBondContact O-CG 3.44Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 IonicContact OD1-NZ 3.38Å; D31-K33 PolarHBondContact OD1-NZ 2.94Å; D31-K33 WeakPolarHBondContact OD2-CE 3.49Å; D31-K33 IonicContact OD2-NZ 2.81Å; D31-K33 PolarHBondContact OD2-NZ 3.14Å; D31-Y450 HydrophobicContact CB-CE1 4.31Å |
| 32 | V | 60.7 | Low | 77.1 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | trans | 51.2 | 1.6 | 175.5 | -174 | 0 | 0 | 0 | 0 | 116.7 | I28 P29 S30 I34 F56 Y451 V454 | I28-V32 HydrophobicContact CG2-CG1 4.49Å; I28-V32 HydrophobicContact CG2-CG2 4Å; P29-V32 PolarHBondContact O-N 3.37Å; S30-V32 VanDerWaalsContact C-N 3.33Å; V32-I34 PolarHBondContact O-N 2.66Å; V32-F56 HydrophobicContact CG1-CZ 4.15Å; V32-F56 WeakPolarHBondContact O-CE1 3.38Å; V32-F56 WeakPolarHBondContact O-CZ 3.34Å; V32-Y451 HydrophobicContact CB-CD2 3.81Å; V32-Y451 HydrophobicContact CB-CE2 4.36Å; V32-Y451 HydrophobicContact CG2-CD2 3.43Å; V32-Y451 VanDerWaalsContact CG2-CD2 3.43Å; V32-Y451 HydrophobicContact CG2-CE2 4.42Å; V32-Y451 HydrophobicContact CG2-CG 3.95Å; V32-V454 HydrophobicContact CG2-CG2 4.23Å | ||
| 33 | K | 71.7 | Confident | 77.8 | Confident | 75 Ų | 75 | 29.1 Ų | 29.1 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -65 | -22.7 | 178.8 | -63.4 | -171.3 | -178.9 | 130.3 | 0 | 114.4 | D31 G47 E48 | D31-K33 WeakPolarHBondContact O-CG 3.44Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 IonicContact OD1-NZ 3.38Å; D31-K33 PolarHBondContact OD1-NZ 2.94Å; D31-K33 WeakPolarHBondContact OD2-CE 3.49Å; D31-K33 IonicContact OD2-NZ 2.81Å; D31-K33 PolarHBondContact OD2-NZ 3.14Å; K33-G47 CarbonylContact O-C 3.58Å; K33-G47 WeakPolarHBondContact O-CA 3.33Å; K33-E48 PolarHBondContact O-N 3.4Å |
| 34 | I | 75 | Confident | 78.4 | Confident | 17 Ų | 17 | 24 Ų | 24 | 9% | 0.087 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | -176.6 | -64.9 | 167.5 | 0 | 0 | 0 | 108.7 | P29 V32 I36 V45 F46 N90 Y92 | P29-I34 WeakPolarHBondContact CD-O 3.47Å; V32-I34 PolarHBondContact O-N 2.66Å; I34-I36 HydrophobicContact CG2-CG1 4.23Å; I34-V45 HydrophobicContact CG2-CG1 3.87Å; I34-F46 CarbonylContact C-O 3.48Å; I34-F46 VanDerWaalsContact CA-O 3.24Å; I34-F46 WeakPolarHBondContact CA-O 3.21Å; I34-N90 HydrophobicContact CD1-CB 4.47Å; I34-N90 WeakPolarHBondContact CD1-ND2 3.34Å; I34-Y92 HydrophobicContact CG2-CE1 4.14Å |
| 35 | I | 78 | Confident | 78.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.4 | 176.5 | -61.4 | 167.4 | 0 | 0 | 0 | 108.5 | M1 F26 I28 I37 F46 F56 I462 | M1-I35 HydrophobicContact CE-CB 3.72Å; M1-I35 HydrophobicContact CE-CD1 3.61Å; M1-I35 HydrophobicContact CE-CG1 4.28Å; M1-I35 HydrophobicContact CE-CG2 3.63Å; F26-I35 HydrophobicContact CD1-CG2 4.48Å; I28-I35 HydrophobicContact CG1-CG1 4.4Å; I28-I35 HydrophobicContact CG1-CG2 4.25Å; I35-I37 HydrophobicContact CG2-CG1 4.14Å; I35-F46 HydrophobicContact CB-CB 4.31Å; I35-F46 PolarHBondContact N-O 3.33Å; I35-F46 PolarHBondContact O-N 3.05Å; I35-F56 HydrophobicContact CD1-CD1 3.86Å; I35-F56 HydrophobicContact CD1-CD2 4.24Å; I35-F56 HydrophobicContact CD1-CE1 3.69Å; I35-F56 HydrophobicContact CD1-CE2 4.09Å; I35-F56 HydrophobicContact CD1-CG 4.14Å; I35-F56 HydrophobicContact CD1-CZ 3.81Å; I35-F56 HydrophobicContact CG1-CD1 4.36Å; I35-F56 HydrophobicContact CG1-CE1 4.06Å; I35-F56 HydrophobicContact CG1-CZ 4.5Å; I35-I462 HydrophobicContact CD1-CD1 3.02Å; I35-I462 HydrophobicContact CG1-CD1 4.47Å |
| 36 | I | 83.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.9 | -178.7 | -51.4 | 166.2 | 0 | 0 | 0 | 109.1 | F26 S27 I34 M43 I71 C73 Y92 | F26-I36 WeakPolarHBondContact CA-O 3.35Å; S27-I36 PolarHBondContact N-O 2.91Å; S27-I36 VanDerWaalsContact N-O 3.1Å; S27-I36 PolarHBondContact O-N 3.26Å; S27-I36 VanDerWaalsContact O-N 3.11Å; I34-I36 HydrophobicContact CG2-CG1 4.23Å; I36-M43 HydrophobicContact CD1-CE 4.43Å; I36-M43 HydrophobicContact CG1-CE 4.49Å; I36-M43 HydrophobicContact CG2-CE 3.34Å; I36-M43 HydrophobicContact CG2-CG 3.83Å; I36-M43 HydrophobicContact CG2-SD 4.14Å; I36-I71 HydrophobicContact CB-CG2 4.31Å; I36-I71 HydrophobicContact CD1-CG2 4.36Å; I36-I71 HydrophobicContact CG2-CD1 4.25Å; I36-I71 HydrophobicContact CG2-CG2 3.75Å; I36-C73 HydrophobicContact CD1-CB 3.86Å; I36-Y92 HydrophobicContact CD1-CD1 3.17Å; I36-Y92 HydrophobicContact CD1-CE1 3.63Å; I36-Y92 HydrophobicContact CD1-CG 3.78Å; I36-Y92 HydrophobicContact CG1-CD1 4.13Å; I36-Y92 HydrophobicContact CG1-CE1 4.18Å |
| 37 | I | 83.9 | Confident | 78.3 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.4 | -177.9 | -58.2 | -167.8 | 0 | 0 | 0 | 108.6 | M1 V24 L25 F26 I35 M43 L44 F46 | M1-I37 HydrophobicContact CE-CD1 4.2Å; M1-I37 HydrophobicContact SD-CD1 3.89Å; V24-I37 HydrophobicContact CG1-CB 4.47Å; V24-I37 HydrophobicContact CG1-CG2 3.37Å; L25-I37 CarbonylContact O-C 3.32Å; L25-I37 WeakPolarHBondContact O-CA 3.42Å; F26-I37 HydrophobicContact CD1-CD1 4.31Å; F26-I37 HydrophobicContact CD1-CG1 3.89Å; F26-I37 HydrophobicContact CE1-CD1 3.7Å; F26-I37 HydrophobicContact CE1-CG1 3.76Å; F26-I37 HydrophobicContact CE1-CG2 4.46Å; I35-I37 HydrophobicContact CG2-CG1 4.14Å; I37-M43 CarbonylContact O-C 3.55Å; I37-M43 VanDerWaalsContact O-CA 3.3Å; I37-M43 WeakPolarHBondContact O-CA 3.37Å; I37-L44 HydrophobicContact CB-CB 4.26Å; I37-L44 PolarHBondContact N-O 3.03Å; I37-L44 PolarHBondContact O-N 3.37Å; I37-F46 HydrophobicContact CD1-CD2 3.91Å; I37-F46 HydrophobicContact CD1-CE2 3.65Å; I37-F46 HydrophobicContact CG1-CD2 4.14Å; I37-F46 HydrophobicContact CG1-CE2 4.15Å |
| 38 | G | 83.9 | Confident | 77.8 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 I71 | L25-G38 PolarHBondContact N-O 3.28Å; L25-G38 PolarHBondContact O-N 3.16Å; G38-I71 VanDerWaalsContact CA-CD1 3.46Å |
| 39 | L | 82.1 | Confident | 76.7 | Confident | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.6 | 175.1 | 178.5 | 62 | 0 | 0 | 0 | 109.7 | F11 L16 V24 T41 R42 | F11-L39 HydrophobicContact CD1-CD2 3.92Å; F11-L39 HydrophobicContact CE1-CD2 3.37Å; F11-L39 HydrophobicContact CE1-CG 4.24Å; F11-L39 HydrophobicContact CZ-CD2 3.76Å; L16-L39 HydrophobicContact CD2-CD2 4.19Å; V24-L39 HydrophobicContact CG2-CB 4.25Å; V24-L39 HydrophobicContact CG2-CD1 3.82Å; V24-L39 HydrophobicContact CG2-CG 4.46Å; L39-T41 PolarHBondContact O-N 3.15Å; L39-R42 PolarHBondContact N-O 3.22Å; L39-R42 PolarHBondContact O-N 3.29Å |
| 40 | Q | 84.6 | Confident | 76 | Confident | 118 Ų | 118 | 30 Ų | 30 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | -111.8 | -177.3 | -57.5 | -179.6 | 3.1 | 0 | 0 | 111.3 | C67 I68 | Q40-C67 CarbonylContact O-C 3.55Å; Q40-C67 WeakPolarHBondContact O-CA 3.34Å; Q40-I68 PolarHBondContact O-N 3.23Å |
| 41 | T | 84.4 | Confident | 75.5 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | L39 F64 | L39-T41 PolarHBondContact O-N 3.15Å; T41-F64 WeakPolarHBondContact CB-O 3.43Å; T41-F64 PolarHBondContact O-N 3.5Å |
| 42 | R | 84.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.9 | -174.4 | -54.9 | -170.2 | -178.8 | -168.9 | 23.9 | 111.6 | C9 F11 L39 E61 L62 K63 I68 | C9-R42 PolarHBondContact O-NH1 3.37Å; F11-R42 HydrophobicContact CZ-CB 4.49Å; L39-R42 PolarHBondContact N-O 3.22Å; L39-R42 PolarHBondContact O-N 3.29Å; R42-E61 WeakPolarHBondContact CD-OE1 3.36Å; R42-E61 IonicContact CZ-OE1 3.71Å; R42-E61 IonicContact NE-OE1 2.76Å; R42-E61 IonicContact NH1-OE1 2.93Å; R42-E61 PolarHBondContact NH1-OE1 3.02Å; R42-L62 CarbonylContact C-O 3.59Å; R42-L62 WeakPolarHBondContact CA-O 3.47Å; R42-K63 HydrophobicContact CG-CG 4.21Å; R42-I68 VanDerWaalsContact O-CD1 3.27Å; R42-I68 WeakPolarHBondContact O-CD1 3.21Å |
| 43 | M | 85.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.1 | 170.8 | 175.3 | -178.9 | 166.2 | 0 | 0 | 109.2 | I36 I37 V45 E61 L62 F64 I68 Y92 V94 L104 | I36-M43 HydrophobicContact CD1-CE 4.43Å; I36-M43 HydrophobicContact CG1-CE 4.49Å; I36-M43 HydrophobicContact CG2-CE 3.34Å; I36-M43 HydrophobicContact CG2-CG 3.83Å; I36-M43 HydrophobicContact CG2-SD 4.14Å; I37-M43 CarbonylContact O-C 3.55Å; I37-M43 VanDerWaalsContact O-CA 3.3Å; I37-M43 WeakPolarHBondContact O-CA 3.37Å; M43-V45 HydrophobicContact CE-CG2 3.74Å; M43-E61 CarbonylContact O-C 3.55Å; M43-E61 WeakPolarHBondContact O-CA 3.48Å; M43-L62 HydrophobicContact CB-CB 4.37Å; M43-L62 PolarHBondContact N-O 3.31Å; M43-L62 PolarHBondContact O-N 2.99Å; M43-F64 HydrophobicContact CB-CE2 3.68Å; M43-F64 HydrophobicContact CB-CZ 4.42Å; M43-F64 HydrophobicContact SD-CE2 4.31Å; M43-F64 HydrophobicContact SD-CZ 4.3Å; M43-I68 HydrophobicContact CB-CD1 3.8Å; M43-Y92 HydrophobicContact CE-CD2 3.6Å; M43-Y92 HydrophobicContact CE-CE2 4.43Å; M43-Y92 HydrophobicContact CE-CG 3.72Å; M43-V94 HydrophobicContact CE-CG2 4.32Å; M43-V94 HydrophobicContact SD-CG2 3.57Å; M43-V94 VanDerWaalsContact SD-CG2 3.57Å; M43-L104 HydrophobicContact CE-CD1 4.04Å; M43-L104 HydrophobicContact SD-CD1 3.71Å |
| 44 | L | 83.9 | Confident | 74.1 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.6 | 176.7 | -55.3 | 170 | 0 | 0 | 0 | 108.3 | L6 F11 I37 F46 L58 E61 | L6-L44 HydrophobicContact CD2-CD1 3.58Å; F11-L44 HydrophobicContact CE2-CD1 4.12Å; I37-L44 HydrophobicContact CB-CB 4.26Å; I37-L44 PolarHBondContact N-O 3.03Å; I37-L44 PolarHBondContact O-N 3.37Å; L44-F46 HydrophobicContact CB-CD2 4.27Å; L44-F46 HydrophobicContact CB-CE2 3.58Å; L44-F46 HydrophobicContact CB-CZ 4.31Å; L44-F46 HydrophobicContact CD1-CE2 4.21Å; L44-F46 HydrophobicContact CD1-CZ 4.41Å; L44-L58 HydrophobicContact CB-CD1 3.93Å; L44-L58 HydrophobicContact CD2-CD1 4.04Å; L44-E61 HydrophobicContact CD2-CB 3.73Å; L44-E61 HydrophobicContact CD2-CG 3.62Å |
| 45 | V | 83.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.1 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | I34 M43 L59 G60 Y92 | I34-V45 HydrophobicContact CG2-CG1 3.87Å; M43-V45 HydrophobicContact CE-CG2 3.74Å; V45-L59 HydrophobicContact CG1-CB 4.36Å; V45-L59 HydrophobicContact CG1-CD1 4.27Å; V45-L59 WeakPolarHBondContact O-CB 3.45Å; V45-L59 PolarHBondContact O-N 3.48Å; V45-G60 PolarHBondContact N-O 3Å; V45-G60 PolarHBondContact O-N 3.42Å; V45-Y92 HydrophobicContact CG1-CE2 4.12Å; V45-Y92 WeakPolarHBondContact CG1-OH 3.48Å; V45-Y92 HydrophobicContact CG2-CD2 4.36Å; V45-Y92 HydrophobicContact CG2-CE2 3.94Å |
| 46 | F | 80.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.9 | 175.8 | -67.7 | -92.4 | 0 | 0 | 0 | 109.8 | M1 V5 I34 I35 I37 L44 F56 T57 L58 | M1-F46 HydrophobicContact CE-CB 3.5Å; M1-F46 VanDerWaalsContact CE-CB 3.5Å; M1-F46 HydrophobicContact CE-CD1 4.01Å; M1-F46 HydrophobicContact CE-CD2 3.66Å; M1-F46 HydrophobicContact CE-CE2 4.39Å; M1-F46 HydrophobicContact CE-CG 3.44Å; M1-F46 VanDerWaalsContact CE-CG 3.44Å; M1-F46 HydrophobicContact CG-CD1 4.46Å; M1-F46 HydrophobicContact SD-CD1 3.94Å; M1-F46 HydrophobicContact SD-CD2 3.91Å; M1-F46 HydrophobicContact SD-CE1 4.08Å; M1-F46 HydrophobicContact SD-CE2 4.06Å; M1-F46 HydrophobicContact SD-CG 3.85Å; M1-F46 HydrophobicContact SD-CZ 4.13Å; V5-F46 HydrophobicContact CG1-CE1 3.77Å; V5-F46 HydrophobicContact CG1-CZ 4.34Å; I34-F46 CarbonylContact C-O 3.48Å; I34-F46 VanDerWaalsContact CA-O 3.24Å; I34-F46 WeakPolarHBondContact CA-O 3.21Å; I35-F46 HydrophobicContact CB-CB 4.31Å; I35-F46 PolarHBondContact N-O 3.33Å; I35-F46 PolarHBondContact O-N 3.05Å; I37-F46 HydrophobicContact CD1-CD2 3.91Å; I37-F46 HydrophobicContact CD1-CE2 3.65Å; I37-F46 HydrophobicContact CG1-CD2 4.14Å; I37-F46 HydrophobicContact CG1-CE2 4.15Å; L44-F46 HydrophobicContact CB-CD2 4.27Å; L44-F46 HydrophobicContact CB-CE2 3.58Å; L44-F46 HydrophobicContact CB-CZ 4.31Å; L44-F46 HydrophobicContact CD1-CE2 4.21Å; L44-F46 HydrophobicContact CD1-CZ 4.41Å; F46-F56 HydrophobicContact CB-CB 4.36Å; F46-T57 CarbonylContact C-O 3.34Å; F46-T57 VanDerWaalsContact CA-O 3.23Å; F46-T57 WeakPolarHBondContact CA-O 3.5Å; F46-L58 HydrophobicContact CD1-CB 4.24Å; F46-L58 HydrophobicContact CD1-CD1 4.38Å; F46-L58 HydrophobicContact CD2-CD1 4.46Å; F46-L58 HydrophobicContact CE1-CB 3.96Å; F46-L58 HydrophobicContact CE1-CD1 3.96Å; F46-L58 HydrophobicContact CE2-CD1 4.06Å; F46-L58 HydrophobicContact CZ-CD1 3.8Å |
| 47 | G | 77 | Confident | 73.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K33 L49 F56 T57 | K33-G47 CarbonylContact O-C 3.58Å; K33-G47 WeakPolarHBondContact O-CA 3.33Å; G47-L49 PolarHBondContact O-N 3.24Å; G47-F56 WeakPolarHBondContact O-CA 3.28Å; G47-T57 PolarHBondContact N-O 3.47Å; G47-T57 PolarHBondContact O-N 3.19Å; G47-T57 PolarHBondContact O-OG1 3.36Å |
| 48 | E | 72.4 | Confident | 72.9 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 122.6 | 173.4 | -171.6 | -178.2 | -168.6 | 0 | 0 | 110.3 | K33 R51 F56 | K33-E48 PolarHBondContact O-N 3.4Å; E48-R51 WeakPolarHBondContact OE1-CA 3.27Å; E48-F56 HydrophobicContact CB-CE1 4.37Å |
| 49 | L | 55.5 | Low | 72.6 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -71.2 | -38.5 | -177.4 | -172.3 | 69.3 | 0 | 0 | 0 | 112.1 | G47 E55 T57 | G47-L49 PolarHBondContact O-N 3.24Å; L49-E55 PolarHBondContact N-O 2.89Å; L49-T57 HydrophobicContact CB-CG2 3.98Å; L49-T57 HydrophobicContact CD1-CG2 3.81Å; L49-T57 HydrophobicContact CD2-CG2 4.05Å; L49-T57 HydrophobicContact CG-CG2 4.16Å |
| 50 | S | 57.2 | Low | 72.3 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | trans | -164.5 | 151.2 | 173.6 | 81 | 0 | 0 | 0 | 0 | 109.8 | N52 T53 | S50-N52 PolarHBondContact O-N 3.26Å; S50-N52 PolarHBondContact OG-N 3.1Å; S50-T53 PolarHBondContact N-OG1 3.47Å; S50-T53 PolarHBondContact O-N 3.45Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 PolarHBondContact O-OG1 3.27Å; S50-T53 WeakPolarHBondContact OG-CB 3.32Å; S50-T53 VanDerWaalsContact OG-CG2 3.28Å; S50-T53 WeakPolarHBondContact OG-CG2 3.24Å; S50-T53 PolarHBondContact OG-N 3.23Å; S50-T53 PolarHBondContact OG-OG1 3.44Å | ||
| 51 | R | 54.5 | Low | 72.1 | Confident | 201 Ų | 201 | 64 Ų | 64 | 76% | 0.758 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19 | 176.4 | -75.2 | -172.9 | -178.2 | 178.4 | 1.5 | 114.7 | E48 | E48-R51 WeakPolarHBondContact OE1-CA 3.27Š|
| 52 | N | 51.7 | Low | 72 | Confident | 152 Ų | 152 | 63.5 Ų | 63.5 | 81% | 0.813 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -19.6 | -175 | -66.8 | 0.9 | 0 | 0 | 0 | 113 | S50 | S50-N52 PolarHBondContact O-N 3.26Å; S50-N52 PolarHBondContact OG-N 3.1Å |
| 53 | T | 53.8 | Low | 72 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -13.9 | -172 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | S50 E55 | S50-T53 PolarHBondContact N-OG1 3.47Å; S50-T53 PolarHBondContact O-N 3.45Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 PolarHBondContact O-OG1 3.27Å; S50-T53 WeakPolarHBondContact OG-CB 3.32Å; S50-T53 VanDerWaalsContact OG-CG2 3.28Å; S50-T53 WeakPolarHBondContact OG-CG2 3.24Å; S50-T53 PolarHBondContact OG-N 3.23Å; S50-T53 PolarHBondContact OG-OG1 3.44Å; T53-E55 WeakPolarHBondContact O-CG 3.4Å; T53-E55 PolarHBondContact O-N 3.47Å |
| 54 | E | 62.6 | Low | 72 | Confident | 174 Ų | 174 | 69.1 Ų | 69.1 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | trans | 47.5 | 21.3 | -174.8 | -64 | -172.5 | 168.9 | 0 | 0 | 113.9 | ||||
| 55 | E | 70.1 | Confident | 71.9 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | trans | -112.2 | 132.6 | -174.6 | -82.3 | -178.5 | -175.3 | 0 | 0 | 110.3 | L49 T53 | L49-E55 PolarHBondContact N-O 2.89Å; T53-E55 WeakPolarHBondContact O-CG 3.4Å; T53-E55 PolarHBondContact O-N 3.47Å | ||
| 56 | F | 71.9 | Confident | 72 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.9 | 174.1 | -72.9 | -88.6 | 0 | 0 | 0 | 110.5 | M1 V32 I35 F46 G47 E48 I462 | M1-F56 HydrophobicContact CE-CB 4.36Å; M1-F56 HydrophobicContact CG-CB 4.21Å; V32-F56 HydrophobicContact CG1-CZ 4.15Å; V32-F56 WeakPolarHBondContact O-CE1 3.38Å; V32-F56 WeakPolarHBondContact O-CZ 3.34Å; I35-F56 HydrophobicContact CD1-CD1 3.86Å; I35-F56 HydrophobicContact CD1-CD2 4.24Å; I35-F56 HydrophobicContact CD1-CE1 3.69Å; I35-F56 HydrophobicContact CD1-CE2 4.09Å; I35-F56 HydrophobicContact CD1-CG 4.14Å; I35-F56 HydrophobicContact CD1-CZ 3.81Å; I35-F56 HydrophobicContact CG1-CD1 4.36Å; I35-F56 HydrophobicContact CG1-CE1 4.06Å; I35-F56 HydrophobicContact CG1-CZ 4.5Å; F46-F56 HydrophobicContact CB-CB 4.36Å; G47-F56 WeakPolarHBondContact O-CA 3.28Å; E48-F56 HydrophobicContact CB-CE1 4.37Å; F56-I462 HydrophobicContact CD2-CD1 4.03Å; F56-I462 HydrophobicContact CE2-CD1 3.88Å |
| 57 | T | 74.9 | Confident | 72.4 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 28% | 0.282 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.3 | 176.1 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | F46 G47 L49 L59 | F46-T57 CarbonylContact C-O 3.34Å; F46-T57 VanDerWaalsContact CA-O 3.23Å; F46-T57 WeakPolarHBondContact CA-O 3.5Å; G47-T57 PolarHBondContact N-O 3.47Å; G47-T57 PolarHBondContact O-N 3.19Å; G47-T57 PolarHBondContact O-OG1 3.36Å; L49-T57 HydrophobicContact CB-CG2 3.98Å; L49-T57 HydrophobicContact CD1-CG2 3.81Å; L49-T57 HydrophobicContact CD2-CG2 4.05Å; L49-T57 HydrophobicContact CG-CG2 4.16Å; T57-L59 PolarHBondContact O-N 3.45Å |
| 58 | L | 77.8 | Confident | 72.9 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 111.7 | 177.2 | -176.9 | 72 | 0 | 0 | 0 | 109.1 | L44 F46 G60 | L44-L58 HydrophobicContact CB-CD1 3.93Å; L44-L58 HydrophobicContact CD2-CD1 4.04Å; F46-L58 HydrophobicContact CD1-CB 4.24Å; F46-L58 HydrophobicContact CD1-CD1 4.38Å; F46-L58 HydrophobicContact CD2-CD1 4.46Å; F46-L58 HydrophobicContact CE1-CB 3.96Å; F46-L58 HydrophobicContact CE1-CD1 3.96Å; F46-L58 HydrophobicContact CE2-CD1 4.06Å; F46-L58 HydrophobicContact CZ-CD1 3.8Å; L58-G60 WeakPolarHBondContact CD1-O 3.38Å |
| 59 | L | 76.4 | Confident | 73.6 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -31.5 | 173.2 | -64.4 | 179.6 | 0 | 0 | 0 | 111.4 | V45 T57 | V45-L59 HydrophobicContact CG1-CB 4.36Å; V45-L59 HydrophobicContact CG1-CD1 4.27Å; V45-L59 WeakPolarHBondContact O-CB 3.45Å; V45-L59 PolarHBondContact O-N 3.48Å; T57-L59 PolarHBondContact O-N 3.45Å |
| 60 | G | 75.8 | Confident | 75.1 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 171.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V45 L58 N108 | V45-G60 PolarHBondContact N-O 3Å; V45-G60 PolarHBondContact O-N 3.42Å; L58-G60 WeakPolarHBondContact CD1-O 3.38Å; G60-N108 WeakPolarHBondContact CA-ND2 3.5Å |
| 61 | E | 81.3 | Confident | 76.5 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.3 | 179.9 | 176.5 | -179.1 | -178.5 | 0 | 0 | 110.1 | R42 M43 L44 K63 | R42-E61 WeakPolarHBondContact CD-OE1 3.36Å; R42-E61 IonicContact CZ-OE1 3.71Å; R42-E61 IonicContact NE-OE1 2.76Å; R42-E61 IonicContact NH1-OE1 2.93Å; R42-E61 PolarHBondContact NH1-OE1 3.02Å; M43-E61 CarbonylContact O-C 3.55Å; M43-E61 WeakPolarHBondContact O-CA 3.48Å; L44-E61 HydrophobicContact CD2-CB 3.73Å; L44-E61 HydrophobicContact CD2-CG 3.62Å; E61-K63 WeakPolarHBondContact OE1-CE 3.47Å; E61-K63 IonicContact OE1-NZ 3.88Å |
| 62 | L | 82.2 | Confident | 78 | Confident | 33 Ų | 33 | 66.5 Ų | 66.5 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135 | 174.6 | -74.3 | 171.6 | 0 | 0 | 0 | 110.3 | R42 M43 F64 L104 N108 | R42-L62 CarbonylContact C-O 3.59Å; R42-L62 WeakPolarHBondContact CA-O 3.47Å; M43-L62 HydrophobicContact CB-CB 4.37Å; M43-L62 PolarHBondContact N-O 3.31Å; M43-L62 PolarHBondContact O-N 2.99Å; L62-F64 HydrophobicContact CB-CE2 4.22Å; L62-F64 HydrophobicContact CB-CZ 4.01Å; L62-F64 HydrophobicContact CD1-CZ 4.41Å; L62-L104 HydrophobicContact CD1-CD1 3.81Å; L62-L104 HydrophobicContact CD1-CD2 4.12Å; L62-L104 HydrophobicContact CD1-CG 4.48Å; L62-N108 HydrophobicContact CD1-CB 3.89Å; L62-N108 HydrophobicContact CD2-CB 3.97Å; L62-N108 HydrophobicContact CG-CB 3.95Å |
| 63 | K | 83.9 | Confident | 79.4 | Confident | 132 Ų | 132 | 59.4 Ų | 59.4 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | 177.1 | -61.1 | -172.4 | 178.6 | 174.9 | 0 | 110.1 | R42 E61 | R42-K63 HydrophobicContact CG-CG 4.21Å; E61-K63 WeakPolarHBondContact OE1-CE 3.47Å; E61-K63 IonicContact OE1-NZ 3.88Å |
| 64 | F | 85 | Confident | 80.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -106.1 | 161.3 | 178.2 | -55.3 | -74.9 | 0 | 0 | 0 | 111.1 | T41 M43 L62 I68 V94 L96 L102 L104 | T41-F64 WeakPolarHBondContact CB-O 3.43Å; T41-F64 PolarHBondContact O-N 3.5Å; M43-F64 HydrophobicContact CB-CE2 3.68Å; M43-F64 HydrophobicContact CB-CZ 4.42Å; M43-F64 HydrophobicContact SD-CE2 4.31Å; M43-F64 HydrophobicContact SD-CZ 4.3Å; L62-F64 HydrophobicContact CB-CE2 4.22Å; L62-F64 HydrophobicContact CB-CZ 4.01Å; L62-F64 HydrophobicContact CD1-CZ 4.41Å; F64-I68 HydrophobicContact CD2-CD1 3.71Å; F64-I68 HydrophobicContact CD2-CG1 3.72Å; F64-I68 HydrophobicContact CE2-CD1 3.78Å; F64-I68 HydrophobicContact CE2-CG1 4.11Å; F64-V94 HydrophobicContact CE2-CG1 4.3Å; F64-V94 HydrophobicContact CZ-CG1 4.4Å; F64-L96 HydrophobicContact CB-CD1 4.48Å; F64-L96 HydrophobicContact CB-CD2 4.07Å; F64-L96 HydrophobicContact CD1-CD1 4.49Å; F64-L96 HydrophobicContact CD2-CD2 4.39Å; F64-L96 HydrophobicContact CG-CD2 4.08Å; F64-L102 HydrophobicContact CD1-CD1 3.58Å; F64-L102 HydrophobicContact CE1-CD1 3.47Å; F64-L102 VanDerWaalsContact CE1-CD1 3.47Å; F64-L104 HydrophobicContact CZ-CD1 3.94Å | ||
| 65 | Q | 82.3 | Confident | 81 | Confident | 196 Ų | 196 | 51 Ų | 51 | 92% | 0.916 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -78 | -27.7 | 178.5 | -66.2 | -178.3 | -9.5 | 0 | 0 | 112.8 | ||
| 66 | S | 86.2 | Confident | 81 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -119.1 | 158.2 | -178.3 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | L96 N98 | S66-L96 WeakPolarHBondContact OG-CB 3.36Å; S66-L96 WeakPolarHBondContact OG-CD1 3.4Å; S66-N98 PolarHBondContact OG-ND2 2.99Å; S66-N98 PolarHBondContact OG-OD1 3.02Å |
| 67 | C | 87 | Confident | 80.4 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | trans | -67.5 | 138.8 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | Q40 L96 E97 | Q40-C67 CarbonylContact O-C 3.55Å; Q40-C67 WeakPolarHBondContact O-CA 3.34Å; C67-L96 CarbonylContact O-C 3.59Å; C67-E97 HydrophobicContact CB-CB 4.3Å; C67-E97 WeakPolarHBondContact CB-OE2 3.48Å; C67-E97 WeakPolarHBondContact O-CB 3.33Å; C67-E97 PolarHBondContact O-N 3.37Å; C67-E97 PolarHBondContact SG-OE2 3.21Å | ||
| 68 | I | 88 | Confident | 79.6 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 131.7 | 170.5 | -52.8 | 165.8 | 0 | 0 | 0 | 108.7 | L25 Q40 R42 M43 F64 I71 V94 L96 | L25-I68 HydrophobicContact CD1-CG2 3.98Å; Q40-I68 PolarHBondContact O-N 3.23Å; R42-I68 VanDerWaalsContact O-CD1 3.27Å; R42-I68 WeakPolarHBondContact O-CD1 3.21Å; M43-I68 HydrophobicContact CB-CD1 3.8Å; F64-I68 HydrophobicContact CD2-CD1 3.71Å; F64-I68 HydrophobicContact CD2-CG1 3.72Å; F64-I68 HydrophobicContact CE2-CD1 3.78Å; F64-I68 HydrophobicContact CE2-CG1 4.11Å; I68-I71 HydrophobicContact CG2-CD1 3.79Å; I68-I71 HydrophobicContact CG2-CG1 3.52Å; I68-V94 HydrophobicContact CB-CG1 4.45Å; I68-V94 HydrophobicContact CG1-CG1 4.09Å; I68-V94 HydrophobicContact CG2-CG1 3.7Å; I68-L96 HydrophobicContact CG1-CD2 4.01Å |
| 69 | K | 87 | Confident | 78.3 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.335 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -25.4 | -177.3 | -63.2 | -77.1 | -170.9 | -175.2 | 0 | 112.8 | L25 G95 E97 S120 V121 | L25-K69 VanDerWaalsContact CD1-C 3.49Å; K69-G95 PolarHBondContact N-O 2.86Å; K69-E97 WeakPolarHBondContact CE-OE1 3.47Å; K69-E97 HydrophobicContact CG-CB 4.05Å; K69-E97 IonicContact NZ-OE1 3.53Å; K69-E97 PolarHBondContact NZ-OE1 2.95Å; K69-E97 IonicContact NZ-OE2 2.67Å; K69-S120 VanDerWaalsContact CG-OG 3.31Å; K69-S120 WeakPolarHBondContact CG-OG 3.11Å; K69-V121 WeakPolarHBondContact CB-O 3.28Å |
| 70 | A | 87.2 | Confident | 77 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G95 V121 I124 | A70-G95 PolarHBondContact N-O 3.46Å; A70-G95 PolarHBondContact O-N 3.35Å; A70-V121 HydrophobicContact CB-CG1 4.04Å; A70-I124 HydrophobicContact CB-CD1 3.82Å; A70-I124 HydrophobicContact CB-CG1 3.91Å |
| 71 | I | 87.5 | Confident | 75.5 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.3 | 174.1 | -60.5 | 168.7 | 0 | 0 | 0 | 107.2 | L25 I36 G38 I68 V93 | L25-I71 HydrophobicContact CB-CD1 4.15Å; I36-I71 HydrophobicContact CB-CG2 4.31Å; I36-I71 HydrophobicContact CD1-CG2 4.36Å; I36-I71 HydrophobicContact CG2-CD1 4.25Å; I36-I71 HydrophobicContact CG2-CG2 3.75Å; G38-I71 VanDerWaalsContact CA-CD1 3.46Å; I68-I71 HydrophobicContact CG2-CD1 3.79Å; I68-I71 HydrophobicContact CG2-CG1 3.52Å; I71-V93 CarbonylContact C-O 3.53Å; I71-V93 WeakPolarHBondContact CA-O 3.39Å |
| 72 | S | 84.8 | Confident | 73.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.7 | 168.9 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | V93 E433 | S72-V93 PolarHBondContact N-O 3.29Å; S72-V93 PolarHBondContact O-N 3.2Å; S72-E433 WeakPolarHBondContact CB-OE2 3.3Å; S72-E433 PolarHBondContact OG-OE2 3.29Å |
| 73 | C | 81.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.1 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | S27 I36 E433 | S27-C73 PolarHBondContact OG-N 3.44Å; I36-C73 HydrophobicContact CD1-CB 3.86Å; C73-E433 PolarHBondContact N-OE2 3.36Å |
| 74 | L | 78.3 | Confident | 69.5 | Low | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.5 | 177.2 | -58.8 | -179.6 | 0 | 0 | 0 | 109.6 | F76 N90 V91 V93 L126 L133 L146 | L74-F76 HydrophobicContact CB-CD2 4.22Å; L74-F76 HydrophobicContact CB-CE2 3.55Å; L74-F76 HydrophobicContact CB-CZ 4.15Å; L74-F76 HydrophobicContact CD1-CE2 4.06Å; L74-F76 HydrophobicContact CD1-CZ 4.01Å; L74-F76 HydrophobicContact CG-CE2 4.48Å; L74-N90 CarbonylContact O-C 3.5Å; L74-N90 WeakPolarHBondContact O-CA 3.31Å; L74-V91 PolarHBondContact N-O 3.05Å; L74-V91 PolarHBondContact O-N 3.43Å; L74-V93 HydrophobicContact CD1-CG2 3.52Å; L74-V93 HydrophobicContact CG-CG2 3.89Å; L74-L126 HydrophobicContact CD2-CD1 3.72Å; L74-L126 HydrophobicContact CD2-CD2 3.85Å; L74-L126 HydrophobicContact CD2-CG 3.82Å; L74-L133 HydrophobicContact CD1-CD1 4.15Å; L74-L146 HydrophobicContact CD1-CD1 4.29Å |
| 75 | Y | 72.5 | Confident | 67.4 | Low | 54 Ų | 54 | 61.2 Ų | 61.2 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.7 | 172.7 | 177.2 | -99.2 | 0 | 0 | 0 | 109.7 | G88 N90 | Y75-G88 VanDerWaalsContact CE2-C 3.43Å; Y75-G88 WeakPolarHBondContact CE2-O 3.27Å; Y75-G88 VanDerWaalsContact OH-CA 3.3Å; Y75-G88 WeakPolarHBondContact OH-CA 3.31Å; Y75-G88 PolarHBondContact OH-N 3.25Å; Y75-N90 WeakPolarHBondContact CD2-OD1 3.12Å |
| 76 | F | 68.7 | Low | 65.5 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.6 | 179.7 | -68 | -85.9 | 0 | 0 | 0 | 108.8 | L74 S78 F79 G88 S89 V91 L146 E150 L153 Y437 | L74-F76 HydrophobicContact CB-CD2 4.22Å; L74-F76 HydrophobicContact CB-CE2 3.55Å; L74-F76 HydrophobicContact CB-CZ 4.15Å; L74-F76 HydrophobicContact CD1-CE2 4.06Å; L74-F76 HydrophobicContact CD1-CZ 4.01Å; L74-F76 HydrophobicContact CG-CE2 4.48Å; F76-S78 PolarHBondContact O-N 2.84Å; F76-F79 HydrophobicContact CB-CD2 3.55Å; F76-F79 HydrophobicContact CB-CE2 3.43Å; F76-F79 VanDerWaalsContact CB-CE2 3.43Å; F76-F79 AromaticContact CD2-CE2 3.93Å; F76-F79 HydrophobicContact CD2-CE2 3.93Å; F76-F79 HydrophobicContact CG-CD2 4.48Å; F76-F79 AromaticContact CG-CE2 3.89Å; F76-F79 HydrophobicContact CG-CE2 3.89Å; F76-G88 WeakPolarHBondContact O-CA 3.38Å; F76-S89 PolarHBondContact N-O 3.37Å; F76-S89 VanDerWaalsContact N-O 3.11Å; F76-S89 PolarHBondContact O-N 3.14Å; F76-S89 VanDerWaalsContact O-N 3.11Å; F76-V91 HydrophobicContact CD2-CB 3.86Å; F76-V91 HydrophobicContact CD2-CG2 3.69Å; F76-V91 HydrophobicContact CE2-CB 3.85Å; F76-V91 HydrophobicContact CE2-CG1 4.38Å; F76-V91 HydrophobicContact CE2-CG2 4.08Å; F76-L146 HydrophobicContact CE1-CD1 3.93Å; F76-L146 HydrophobicContact CE1-CG 4.07Å; F76-L146 HydrophobicContact CZ-CD1 3.74Å; F76-L146 HydrophobicContact CZ-CG 4.36Å; F76-E150 HydrophobicContact CD1-CB 3.88Å; F76-E150 HydrophobicContact CD1-CG 3.67Å; F76-E150 HydrophobicContact CE1-CB 3.82Å; F76-E150 HydrophobicContact CE1-CG 4.16Å; F76-L153 HydrophobicContact CE2-CD1 3.91Å; F76-L153 HydrophobicContact CZ-CD1 4Å; F76-Y437 AromaticContact CD1-CD1 3.94Å; F76-Y437 HydrophobicContact CD1-CD1 3.94Å; F76-Y437 AromaticContact CD1-CE1 3.66Å; F76-Y437 HydrophobicContact CD1-CE1 3.66Å; F76-Y437 HydrophobicContact CE1-CD1 4.01Å; F76-Y437 AromaticContact CE1-CE1 3.8Å; F76-Y437 HydrophobicContact CE1-CE1 3.8Å |
| 77 | S | 60.5 | Low | 63.6 | Low | 43 Ų | 43 | 65.7 Ų | 65.7 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.7 | -179.8 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | R80 | S77-R80 WeakPolarHBondContact O-CG 2.97Š|
| 78 | S | 57.9 | Low | 62.2 | Low | 49 Ų | 49 | 64.2 Ų | 64.2 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -20.7 | -178.9 | 50 | 0 | 0 | 0 | 0 | 114.9 | F76 R80 E150 S154 | F76-S78 PolarHBondContact O-N 2.84Å; S78-R80 PolarHBondContact O-N 3.31Å; S78-E150 WeakPolarHBondContact CB-OE1 3.28Å; S78-E150 VanDerWaalsContact OG-CD 3.23Å; S78-E150 VanDerWaalsContact OG-CG 3.24Å; S78-E150 WeakPolarHBondContact OG-CG 3.44Å; S78-E150 PolarHBondContact OG-OE1 3.09Å; S78-S154 PolarHBondContact OG-OG 2.94Å |
| 79 | F | 50 | Low | 61.2 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | trans | -73.5 | 37.1 | 177.5 | -63.7 | -65.3 | 0 | 0 | 0 | 114.1 | F76 N81 S89 V91 L111 L153 F157 | F76-F79 HydrophobicContact CB-CD2 3.55Å; F76-F79 HydrophobicContact CB-CE2 3.43Å; F76-F79 VanDerWaalsContact CB-CE2 3.43Å; F76-F79 AromaticContact CD2-CE2 3.93Å; F76-F79 HydrophobicContact CD2-CE2 3.93Å; F76-F79 HydrophobicContact CG-CD2 4.48Å; F76-F79 AromaticContact CG-CE2 3.89Å; F76-F79 HydrophobicContact CG-CE2 3.89Å; F79-N81 PolarHBondContact O-N 3.49Å; F79-S89 WeakPolarHBondContact CB-OG 3.39Å; F79-V91 HydrophobicContact CD2-CG2 4.31Å; F79-V91 HydrophobicContact CE2-CG2 3.42Å; F79-V91 VanDerWaalsContact CE2-CG2 3.42Å; F79-V91 HydrophobicContact CZ-CG2 3.92Å; F79-L111 HydrophobicContact CZ-CD1 4.28Å; F79-L153 HydrophobicContact CE1-CB 4.2Å; F79-L153 WeakPolarHBondContact CE1-O 3.25Å; F79-L153 HydrophobicContact CZ-CB 3.59Å; F79-F157 HydrophobicContact CD1-CB 3.56Å; F79-F157 AromaticContact CD1-CD1 3.74Å; F79-F157 HydrophobicContact CD1-CD1 3.74Å; F79-F157 HydrophobicContact CD1-CD2 4.21Å; F79-F157 HydrophobicContact CD1-CE1 4.48Å; F79-F157 AromaticContact CD1-CG 3.56Å; F79-F157 HydrophobicContact CD1-CG 3.56Å; F79-F157 HydrophobicContact CE1-CB 3.46Å; F79-F157 VanDerWaalsContact CE1-CB 3.46Å; F79-F157 AromaticContact CE1-CG 3.95Å; F79-F157 HydrophobicContact CE1-CG 3.95Å | ||
| 80 | R | 48.7 | Very low | 60.6 | Low | 146 Ų | 146 | 61.7 Ų | 61.7 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | trans | -76.9 | 112.3 | 176 | -73.6 | 176.6 | -174.8 | -160.7 | -3.4 | 109.5 | S77 S78 | S77-R80 WeakPolarHBondContact O-CG 2.97Å; S78-R80 PolarHBondContact O-N 3.31Å | ||
| 81 | N | 44 | Very low | 60.4 | Low | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | trans | -67.8 | 138.6 | 158.3 | -79.7 | -20.9 | 0 | 0 | 0 | 108.5 | F79 N83 D84 | F79-N81 PolarHBondContact O-N 3.49Å; N81-N83 PolarHBondContact O-N 3.41Å; N81-D84 PolarHBondContact O-N 3.02Å; N81-D84 VanDerWaalsContact O-N 3.13Å | ||
| 82 | N | 44.9 | Very low | 60.3 | Low | 169 Ų | 169 | 60.6 Ų | 60.6 | 90% | 0.904 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -16.6 | -177.5 | -77.2 | -13.8 | 0 | 0 | 0 | 115.1 | ||
| 83 | N | 40.9 | Very low | 60.5 | Low | 153 Ų | 153 | 60.4 Ų | 60.4 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -17.3 | -175.7 | -66.9 | -4.7 | 0 | 0 | 0 | 115.1 | N81 | N81-N83 PolarHBondContact O-N 3.41Š|
| 84 | D | 37.5 | Very low | 60.8 | Low | 122 Ų | 122 | 60.3 Ų | 60.3 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | trans | -127.4 | 84.8 | -179.9 | -89.5 | -39.3 | 0 | 0 | 0 | 110.5 | N81 R86 | N81-D84 PolarHBondContact O-N 3.02Å; N81-D84 VanDerWaalsContact O-N 3.13Å; D84-R86 PolarHBondContact O-N 3.41Å | ||
| 85 | A | 40.4 | Very low | 61.4 | Low | 73 Ų | 73 | 60 Ų | 60 | 60% | 0.603 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -2.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 86 | R | 41.8 | Very low | 62.3 | Low | 219 Ų | 219 | 57.6 Ų | 57.6 | 83% | 0.826 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -6.9 | -168.3 | -66.4 | -172 | -175.5 | -176.3 | 1.2 | 117 | D84 | D84-R86 PolarHBondContact O-N 3.41Š|
| 87 | C | 47.3 | Very low | 63.3 | Low | 89 Ų | 89 | 61.5 Ų | 61.5 | 60% | 0.601 | 33% | 0.325 | S | S | * | . | trans | -124.4 | 115.1 | -179.3 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 88 | G | 56.5 | Low | 64.6 | Low | 9 Ų | 9 | 62.8 Ų | 62.8 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | trans | -72.6 | 174.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y75 F76 | Y75-G88 VanDerWaalsContact CE2-C 3.43Å; Y75-G88 WeakPolarHBondContact CE2-O 3.27Å; Y75-G88 VanDerWaalsContact OH-CA 3.3Å; Y75-G88 WeakPolarHBondContact OH-CA 3.31Å; Y75-G88 PolarHBondContact OH-N 3.25Å; F76-G88 WeakPolarHBondContact O-CA 3.38Å | ||
| 89 | S | 66.4 | Low | 65.9 | Low | 13 Ų | 13 | 60.5 Ų | 60.5 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.7 | -177 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | F76 F79 | F76-S89 PolarHBondContact N-O 3.37Å; F76-S89 VanDerWaalsContact N-O 3.11Å; F76-S89 PolarHBondContact O-N 3.14Å; F76-S89 VanDerWaalsContact O-N 3.11Å; F79-S89 WeakPolarHBondContact CB-OG 3.39Å |
| 90 | N | 75.2 | Confident | 67.8 | Low | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.5 | 170.5 | -61 | -71.5 | 0 | 0 | 0 | 110.6 | I34 L74 Y75 Y92 E106 Q435 | I34-N90 HydrophobicContact CD1-CB 4.47Å; I34-N90 WeakPolarHBondContact CD1-ND2 3.34Å; L74-N90 CarbonylContact O-C 3.5Å; L74-N90 WeakPolarHBondContact O-CA 3.31Å; Y75-N90 WeakPolarHBondContact CD2-OD1 3.12Å; N90-Y92 HydrophobicContact CB-CE1 4.03Å; N90-E106 WeakPolarHBondContact CA-OE1 3.18Å; N90-E106 HydrophobicContact CB-CG 3.9Å; N90-E106 WeakPolarHBondContact CB-OE1 3.48Å; N90-E106 VanDerWaalsContact CG-OE1 3.29Å; N90-E106 PolarHBondContact N-OE1 2.82Å; N90-E106 PolarHBondContact ND2-OE1 2.97Å; N90-E106 WeakPolarHBondContact O-CG 3.39Å; N90-E106 PolarHBondContact O-N 3.42Å; N90-Q435 PolarHBondContact OD1-NE2 2.81Å |
| 91 | V | 82.3 | Confident | 69.8 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124 | 173.4 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | L74 F76 F79 F103 L104 L111 L153 | L74-V91 PolarHBondContact N-O 3.05Å; L74-V91 PolarHBondContact O-N 3.43Å; F76-V91 HydrophobicContact CD2-CB 3.86Å; F76-V91 HydrophobicContact CD2-CG2 3.69Å; F76-V91 HydrophobicContact CE2-CB 3.85Å; F76-V91 HydrophobicContact CE2-CG1 4.38Å; F76-V91 HydrophobicContact CE2-CG2 4.08Å; F79-V91 HydrophobicContact CD2-CG2 4.31Å; F79-V91 HydrophobicContact CE2-CG2 3.42Å; F79-V91 VanDerWaalsContact CE2-CG2 3.42Å; F79-V91 HydrophobicContact CZ-CG2 3.92Å; V91-F103 HydrophobicContact CG1-CB 4Å; V91-F103 HydrophobicContact CG1-CD1 4.07Å; V91-L104 CarbonylContact C-O 3.59Å; V91-L104 VanDerWaalsContact CA-O 3.26Å; V91-L104 WeakPolarHBondContact CA-O 3.48Å; V91-L111 HydrophobicContact CG2-CD1 4.11Å; V91-L153 HydrophobicContact CG1-CD1 4.09Å; V91-L153 HydrophobicContact CG2-CD1 4.47Å |
| 92 | Y | 85.8 | Confident | 72 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.1 | 179.1 | -39.4 | -50.7 | 0 | 0 | 0 | 109.7 | I34 I36 M43 V45 N90 F103 L104 | I34-Y92 HydrophobicContact CG2-CE1 4.14Å; I36-Y92 HydrophobicContact CD1-CD1 3.17Å; I36-Y92 HydrophobicContact CD1-CE1 3.63Å; I36-Y92 HydrophobicContact CD1-CG 3.78Å; I36-Y92 HydrophobicContact CG1-CD1 4.13Å; I36-Y92 HydrophobicContact CG1-CE1 4.18Å; M43-Y92 HydrophobicContact CE-CD2 3.6Å; M43-Y92 HydrophobicContact CE-CE2 4.43Å; M43-Y92 HydrophobicContact CE-CG 3.72Å; V45-Y92 HydrophobicContact CG1-CE2 4.12Å; V45-Y92 WeakPolarHBondContact CG1-OH 3.48Å; V45-Y92 HydrophobicContact CG2-CD2 4.36Å; V45-Y92 HydrophobicContact CG2-CE2 3.94Å; N90-Y92 HydrophobicContact CB-CE1 4.03Å; Y92-F103 CarbonylContact O-C 3.58Å; Y92-F103 WeakPolarHBondContact O-CA 3.46Å; Y92-L104 HydrophobicContact CD2-CB 4.13Å; Y92-L104 PolarHBondContact N-O 3.08Å; Y92-L104 PolarHBondContact O-N 2.99Å |
| 93 | V | 88.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.8 | 176.4 | -167.5 | 0 | 0 | 0 | 0 | 108.9 | I71 S72 L74 L101 L102 F103 I124 L133 | I71-V93 CarbonylContact C-O 3.53Å; I71-V93 WeakPolarHBondContact CA-O 3.39Å; S72-V93 PolarHBondContact N-O 3.29Å; S72-V93 PolarHBondContact O-N 3.2Å; L74-V93 HydrophobicContact CD1-CG2 3.52Å; L74-V93 HydrophobicContact CG-CG2 3.89Å; V93-L101 HydrophobicContact CG1-CD1 3.74Å; V93-L101 HydrophobicContact CG1-CD2 4.1Å; V93-L101 HydrophobicContact CG1-CG 3.84Å; V93-L102 CarbonylContact C-O 3.49Å; V93-L102 WeakPolarHBondContact CA-O 3.25Å; V93-F103 HydrophobicContact CG1-CD1 4.33Å; V93-F103 HydrophobicContact CG1-CE1 4.04Å; V93-F103 HydrophobicContact CG1-CZ 4.21Å; V93-F103 HydrophobicContact CG2-CD1 3.66Å; V93-F103 HydrophobicContact CG2-CE1 3.66Å; V93-I124 HydrophobicContact CG1-CD1 4.02Å; V93-I124 HydrophobicContact CG1-CG2 4.25Å; V93-L133 HydrophobicContact CG1-CD2 4.34Å |
| 94 | V | 89.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.7 | -175.8 | -176 | 0 | 0 | 0 | 0 | 109.8 | M43 F64 I68 L96 L101 L102 L104 | M43-V94 HydrophobicContact CE-CG2 4.32Å; M43-V94 HydrophobicContact SD-CG2 3.57Å; M43-V94 VanDerWaalsContact SD-CG2 3.57Å; F64-V94 HydrophobicContact CE2-CG1 4.3Å; F64-V94 HydrophobicContact CZ-CG1 4.4Å; I68-V94 HydrophobicContact CB-CG1 4.45Å; I68-V94 HydrophobicContact CG1-CG1 4.09Å; I68-V94 HydrophobicContact CG2-CG1 3.7Å; V94-L96 HydrophobicContact CG1-CD2 3.98Å; V94-L101 WeakPolarHBondContact O-CA 3.48Å; V94-L102 HydrophobicContact CB-CB 4.43Å; V94-L102 PolarHBondContact N-O 2.82Å; V94-L102 PolarHBondContact O-N 2.98Å; V94-L104 HydrophobicContact CG2-CD1 3.56Å |
| 95 | G | 90.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K69 A70 | K69-G95 PolarHBondContact N-O 2.86Å; A70-G95 PolarHBondContact N-O 3.46Å; A70-G95 PolarHBondContact O-N 3.35Å |
| 96 | L | 91.7 | Very high | 80.1 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 162.3 | -174.5 | -62.9 | 178.8 | 0 | 0 | 0 | 113 | F64 S66 C67 I68 V94 N98 G99 E100 L102 V121 | F64-L96 HydrophobicContact CB-CD1 4.48Å; F64-L96 HydrophobicContact CB-CD2 4.07Å; F64-L96 HydrophobicContact CD1-CD1 4.49Å; F64-L96 HydrophobicContact CD2-CD2 4.39Å; F64-L96 HydrophobicContact CG-CD2 4.08Å; S66-L96 WeakPolarHBondContact OG-CB 3.36Å; S66-L96 WeakPolarHBondContact OG-CD1 3.4Å; C67-L96 CarbonylContact O-C 3.59Å; I68-L96 HydrophobicContact CG1-CD2 4.01Å; V94-L96 HydrophobicContact CG1-CD2 3.98Å; L96-N98 WeakPolarHBondContact CB-OD1 3.33Å; L96-N98 PolarHBondContact O-N 3.44Å; L96-G99 PolarHBondContact O-N 3.05Å; L96-G99 VanDerWaalsContact O-N 3.1Å; L96-E100 HydrophobicContact CD1-CB 4.27Å; L96-E100 PolarHBondContact N-O 3.4Å; L96-L102 HydrophobicContact CD1-CD1 3.76Å; L96-L102 HydrophobicContact CD1-CG 4.26Å; L96-V121 PolarHBondContact O-N 3.1Å |
| 97 | E | 88 | Confident | 81.5 | Confident | 84 Ų | 84 | 24.3 Ų | 24.3 | 39% | 0.393 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.7 | 178.9 | -175.4 | 161.2 | -135.7 | 0 | 0 | 114 | C67 K69 G99 S120 | C67-E97 HydrophobicContact CB-CB 4.3Å; C67-E97 WeakPolarHBondContact CB-OE2 3.48Å; C67-E97 WeakPolarHBondContact O-CB 3.33Å; C67-E97 PolarHBondContact O-N 3.37Å; C67-E97 PolarHBondContact SG-OE2 3.21Å; K69-E97 WeakPolarHBondContact CE-OE1 3.47Å; K69-E97 HydrophobicContact CG-CB 4.05Å; K69-E97 IonicContact NZ-OE1 3.53Å; K69-E97 PolarHBondContact NZ-OE1 2.95Å; K69-E97 IonicContact NZ-OE2 2.67Å; E97-G99 VanDerWaalsContact C-N 3.26Å; E97-G99 PolarHBondContact O-N 3.33Å; E97-S120 WeakPolarHBondContact O-CA 3.39Å; E97-S120 WeakPolarHBondContact O-CB 3.28Å; E97-S120 PolarHBondContact O-N 3.49Å |
| 98 | N | 87.7 | Confident | 82.6 | Confident | 69 Ų | 69 | 21.8 Ų | 21.8 | 37% | 0.369 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.1 | 175.8 | 65.5 | -13 | 0 | 0 | 0 | 113.5 | S66 L96 E100 | S66-N98 PolarHBondContact OG-ND2 2.99Å; S66-N98 PolarHBondContact OG-OD1 3.02Å; L96-N98 WeakPolarHBondContact CB-OD1 3.33Å; L96-N98 PolarHBondContact O-N 3.44Å; N98-E100 PolarHBondContact ND2-OE2 2.72Å; N98-E100 WeakPolarHBondContact OD1-CB 3.1Å; N98-E100 PolarHBondContact OD1-N 2.95Å |
| 99 | G | 85.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 82.9 | 7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L96 E97 T116 D119 | L96-G99 PolarHBondContact O-N 3.05Å; L96-G99 VanDerWaalsContact O-N 3.1Å; E97-G99 VanDerWaalsContact C-N 3.26Å; E97-G99 PolarHBondContact O-N 3.33Å; G99-T116 PolarHBondContact O-OG1 3.3Å; G99-D119 VanDerWaalsContact CA-O 3.3Å; G99-D119 WeakPolarHBondContact CA-O 3.35Å |
| 100 | E | 89.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.2 | 174.2 | -64.6 | -179.1 | 151.6 | 0 | 0 | 111.3 | L96 N98 K115 | L96-E100 HydrophobicContact CD1-CB 4.27Å; L96-E100 PolarHBondContact N-O 3.4Å; N98-E100 PolarHBondContact ND2-OE2 2.72Å; N98-E100 WeakPolarHBondContact OD1-CB 3.1Å; N98-E100 PolarHBondContact OD1-N 2.95Å; E100-K115 HydrophobicContact CG-CG 4.24Å; E100-K115 VanDerWaalsContact OE1-CE 3.29Å; E100-K115 WeakPolarHBondContact OE1-CE 3.45Å; E100-K115 IonicContact OE1-NZ 3.07Å; E100-K115 PolarHBondContact OE1-NZ 2.98Å |
| 101 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.7 | 174.5 | -168.3 | 86.7 | 0 | 0 | 0 | 108.9 | V93 V94 F103 I114 I124 L133 V135 F144 | V93-L101 HydrophobicContact CG1-CD1 3.74Å; V93-L101 HydrophobicContact CG1-CD2 4.1Å; V93-L101 HydrophobicContact CG1-CG 3.84Å; V94-L101 WeakPolarHBondContact O-CA 3.48Å; L101-F103 HydrophobicContact CD2-CE2 3.51Å; L101-F103 HydrophobicContact CD2-CZ 3.64Å; L101-F103 HydrophobicContact CG-CE2 4.17Å; L101-I114 HydrophobicContact CB-CB 4.29Å; L101-I114 HydrophobicContact CD2-CD1 4.36Å; L101-I114 PolarHBondContact N-O 3.06Å; L101-I114 PolarHBondContact O-N 3.28Å; L101-I124 HydrophobicContact CD1-CD1 3.75Å; L101-I124 HydrophobicContact CD1-CG1 4.14Å; L101-L133 HydrophobicContact CD2-CD2 4.37Å; L101-V135 HydrophobicContact CD1-CG1 4.27Å; L101-V135 HydrophobicContact CD1-CG2 3.91Å; L101-V135 HydrophobicContact CD2-CG2 4.15Å; L101-F144 HydrophobicContact CD2-CE2 4.14Å |
| 102 | L | 90.8 | Very high | 85.4 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.4 | -178.7 | -59.9 | 178.3 | 0 | 0 | 0 | 110.3 | F64 V93 V94 L96 C113 | F64-L102 HydrophobicContact CD1-CD1 3.58Å; F64-L102 HydrophobicContact CE1-CD1 3.47Å; F64-L102 VanDerWaalsContact CE1-CD1 3.47Å; V93-L102 CarbonylContact C-O 3.49Å; V93-L102 WeakPolarHBondContact CA-O 3.25Å; V94-L102 HydrophobicContact CB-CB 4.43Å; V94-L102 PolarHBondContact N-O 2.82Å; V94-L102 PolarHBondContact O-N 2.98Å; L96-L102 HydrophobicContact CD1-CD1 3.76Å; L96-L102 HydrophobicContact CD1-CG 4.26Å; L102-C113 HydrophobicContact CD2-CB 3.64Å; L102-C113 VanDerWaalsContact CD2-SG 3.55Å |
| 103 | F | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.8 | 169.8 | -63.2 | -102.8 | 0 | 0 | 0 | 108.7 | V91 Y92 V93 L101 L111 L112 I114 L133 V149 L153 | V91-F103 HydrophobicContact CG1-CB 4Å; V91-F103 HydrophobicContact CG1-CD1 4.07Å; Y92-F103 CarbonylContact O-C 3.58Å; Y92-F103 WeakPolarHBondContact O-CA 3.46Å; V93-F103 HydrophobicContact CG1-CD1 4.33Å; V93-F103 HydrophobicContact CG1-CE1 4.04Å; V93-F103 HydrophobicContact CG1-CZ 4.21Å; V93-F103 HydrophobicContact CG2-CD1 3.66Å; V93-F103 HydrophobicContact CG2-CE1 3.66Å; L101-F103 HydrophobicContact CD2-CE2 3.51Å; L101-F103 HydrophobicContact CD2-CZ 3.64Å; L101-F103 HydrophobicContact CG-CE2 4.17Å; F103-L111 PolarHBondContact O-N 2.8Å; F103-L112 HydrophobicContact CB-CB 4.09Å; F103-L112 HydrophobicContact CD2-CB 3.9Å; F103-L112 HydrophobicContact CD2-CD2 3.82Å; F103-L112 HydrophobicContact CD2-CG 3.98Å; F103-L112 HydrophobicContact CE2-CD2 3.9Å; F103-L112 HydrophobicContact CE2-CG 4.42Å; F103-L112 HydrophobicContact CG-CB 4.29Å; F103-L112 PolarHBondContact N-O 3.4Å; F103-L112 PolarHBondContact O-N 3.13Å; F103-I114 HydrophobicContact CE2-CD1 3.76Å; F103-I114 HydrophobicContact CE2-CG1 4.12Å; F103-I114 HydrophobicContact CZ-CD1 4.41Å; F103-L133 HydrophobicContact CE1-CD2 3.68Å; F103-L133 HydrophobicContact CZ-CD2 3.54Å; F103-V149 HydrophobicContact CD1-CG1 4.32Å; F103-V149 HydrophobicContact CE1-CG1 3.72Å; F103-V149 HydrophobicContact CZ-CG1 4.03Å; F103-L153 HydrophobicContact CB-CD2 3.57Å; F103-L153 HydrophobicContact CD1-CD1 4.05Å; F103-L153 HydrophobicContact CD1-CD2 4.17Å; F103-L153 HydrophobicContact CG-CD2 3.94Å |
| 104 | L | 86.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.9 | -173.4 | -56 | 162.5 | 0 | 0 | 0 | 109.2 | M43 L62 F64 V91 Y92 V94 K109 I110 | M43-L104 HydrophobicContact CE-CD1 4.04Å; M43-L104 HydrophobicContact SD-CD1 3.71Å; L62-L104 HydrophobicContact CD1-CD1 3.81Å; L62-L104 HydrophobicContact CD1-CD2 4.12Å; L62-L104 HydrophobicContact CD1-CG 4.48Å; F64-L104 HydrophobicContact CZ-CD1 3.94Å; V91-L104 CarbonylContact C-O 3.59Å; V91-L104 VanDerWaalsContact CA-O 3.26Å; V91-L104 WeakPolarHBondContact CA-O 3.48Å; Y92-L104 HydrophobicContact CD2-CB 4.13Å; Y92-L104 PolarHBondContact N-O 3.08Å; Y92-L104 PolarHBondContact O-N 2.99Å; V94-L104 HydrophobicContact CG2-CD1 3.56Å; L104-K109 CarbonylContact C-O 3.58Å; L104-K109 WeakPolarHBondContact CA-O 3.43Å; L104-I110 HydrophobicContact CD2-CB 4.18Å; L104-I110 HydrophobicContact CD2-CG1 3.43Å; L104-I110 VanDerWaalsContact CD2-CG1 3.43Å |
| 105 | H | 83.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 160.1 | 168.8 | -173.4 | -103.8 | 0 | 0 | 0 | 111 | N107 N108 K109 L111 F157 | H105-N107 WeakPolarHBondContact ND1-CB 3.34Å; H105-N107 PolarHBondContact ND1-N 2.97Å; H105-N107 VanDerWaalsContact ND1-N 3.1Å; H105-N107 PolarHBondContact O-N 2.85Å; H105-N108 PolarHBondContact O-N 3.08Å; H105-K109 PolarHBondContact N-O 3.25Å; H105-L111 HydrophobicContact CB-CD1 3.9Å; H105-L111 HydrophobicContact CB-CD2 4.09Å; H105-L111 HydrophobicContact CB-CG 3.92Å; H105-F157 AromaticContact CD2-CD2 3.66Å; H105-F157 AromaticContact CD2-CE2 3.54Å; H105-F157 AromaticContact CE1-CE2 3.58Å; H105-F157 AromaticContact NE2-CD2 3.85Å; H105-F157 AromaticContact NE2-CE2 3.23Å; H105-F157 WeakPolarHBondContact NE2-CE2 3.19Å |
| 106 | E | 72.2 | Confident | 84.9 | Confident | 53 Ų | 53 | 31 Ų | 31 | 25% | 0.248 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -34.3 | 173.4 | -56 | -170.4 | 148.1 | 0 | 0 | 113.2 | N90 N108 | N90-E106 WeakPolarHBondContact CA-OE1 3.18Å; N90-E106 HydrophobicContact CB-CG 3.9Å; N90-E106 WeakPolarHBondContact CB-OE1 3.48Å; N90-E106 VanDerWaalsContact CG-OE1 3.29Å; N90-E106 PolarHBondContact N-OE1 2.82Å; N90-E106 PolarHBondContact ND2-OE1 2.97Å; N90-E106 WeakPolarHBondContact O-CG 3.39Å; N90-E106 PolarHBondContact O-N 3.42Å; E106-N108 PolarHBondContact O-N 3.4Å; E106-N108 VanDerWaalsContact O-N 3.07Å |
| 107 | N | 71.9 | Confident | 84.3 | Confident | 114 Ų | 114 | 34.1 Ų | 34.1 | 61% | 0.61 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 19.7 | 177.8 | -59.4 | -6.9 | 0 | 0 | 0 | 113.5 | H105 K109 | H105-N107 WeakPolarHBondContact ND1-CB 3.34Å; H105-N107 PolarHBondContact ND1-N 2.97Å; H105-N107 VanDerWaalsContact ND1-N 3.1Å; H105-N107 PolarHBondContact O-N 2.85Å; N107-K109 PolarHBondContact O-N 3.29Å; N107-K109 VanDerWaalsContact O-N 3.13Å |
| 108 | N | 70.8 | Confident | 83.9 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 58.8 | 23.5 | 179 | -62.6 | -42.8 | 0 | 0 | 0 | 115 | G60 L62 H105 E106 | G60-N108 WeakPolarHBondContact CA-ND2 3.5Å; L62-N108 HydrophobicContact CD1-CB 3.89Å; L62-N108 HydrophobicContact CD2-CB 3.97Å; L62-N108 HydrophobicContact CG-CB 3.95Å; H105-N108 PolarHBondContact O-N 3.08Å; E106-N108 PolarHBondContact O-N 3.4Å; E106-N108 VanDerWaalsContact O-N 3.07Å |
| 109 | K | 80.4 | Confident | 83.5 | Confident | 106 Ų | 106 | 34.4 Ų | 34.4 | 46% | 0.461 | 19% | 0.186 | S | C | . | . | trans | -96.9 | 135.2 | 175 | -67.2 | -169.6 | -179.2 | 179.3 | 0 | 110.6 | L104 H105 N107 L111 L160 | L104-K109 CarbonylContact C-O 3.58Å; L104-K109 WeakPolarHBondContact CA-O 3.43Å; H105-K109 PolarHBondContact N-O 3.25Å; N107-K109 PolarHBondContact O-N 3.29Å; N107-K109 VanDerWaalsContact O-N 3.13Å; K109-L111 PolarHBondContact O-N 3.45Å; K109-L160 HydrophobicContact CB-CD1 4.03Å; K109-L160 HydrophobicContact CD-CD1 4.04Å; K109-L160 HydrophobicContact CD-CD2 3.8Å; K109-L160 HydrophobicContact CD-CG 4.49Å | ||
| 110 | I | 83 | Confident | 83.5 | Confident | 42 Ų | 42 | 35.3 Ų | 35.3 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.7 | 174 | -57.6 | 162.7 | 0 | 0 | 0 | 108.8 | L104 Y297 | L104-I110 HydrophobicContact CD2-CB 4.18Å; L104-I110 HydrophobicContact CD2-CG1 3.43Å; L104-I110 VanDerWaalsContact CD2-CG1 3.43Å; I110-Y297 HydrophobicContact CB-CD1 3.79Å; I110-Y297 HydrophobicContact CB-CD2 4.4Å; I110-Y297 HydrophobicContact CB-CE1 4.32Å; I110-Y297 HydrophobicContact CB-CG 3.83Å; I110-Y297 HydrophobicContact CD1-CD1 3.96Å; I110-Y297 HydrophobicContact CD1-CE1 3.62Å; I110-Y297 HydrophobicContact CG1-CD1 4.47Å; I110-Y297 HydrophobicContact CG2-CD1 3.92Å; I110-Y297 HydrophobicContact CG2-CD2 3.6Å; I110-Y297 HydrophobicContact CG2-CE1 4.37Å; I110-Y297 HydrophobicContact CG2-CE2 4.08Å; I110-Y297 HydrophobicContact CG2-CG 3.5Å; I110-Y297 VanDerWaalsContact O-CB 3.29Å; I110-Y297 WeakPolarHBondContact O-CB 3.37Å |
| 111 | L | 85.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -34.9 | 175.7 | -64.5 | -179 | 0 | 0 | 0 | 112 | F79 V91 F103 H105 K109 L153 S156 F157 L160 P298 | F79-L111 HydrophobicContact CZ-CD1 4.28Å; V91-L111 HydrophobicContact CG2-CD1 4.11Å; F103-L111 PolarHBondContact O-N 2.8Å; H105-L111 HydrophobicContact CB-CD1 3.9Å; H105-L111 HydrophobicContact CB-CD2 4.09Å; H105-L111 HydrophobicContact CB-CG 3.92Å; K109-L111 PolarHBondContact O-N 3.45Å; L111-L153 HydrophobicContact CB-CD2 3.61Å; L111-L153 HydrophobicContact CD1-CB 4.42Å; L111-L153 HydrophobicContact CD1-CD2 4.13Å; L111-S156 WeakPolarHBondContact O-CB 3.46Å; L111-S156 PolarHBondContact O-OG 3.2Å; L111-F157 HydrophobicContact CD2-CB 4.45Å; L111-L160 HydrophobicContact CD2-CD1 3.42Å; L111-L160 VanDerWaalsContact CD2-CD1 3.42Å; L111-P298 WeakPolarHBondContact O-CD 3.36Å; L111-P298 WeakPolarHBondContact O-CG 3.4Å |
| 112 | L | 89.4 | Confident | 83 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 140.5 | -178.1 | 176.4 | 65.7 | 0 | 0 | 0 | 110.8 | F103 I114 V152 L153 I179 V286 P298 | F103-L112 HydrophobicContact CB-CB 4.09Å; F103-L112 HydrophobicContact CD2-CB 3.9Å; F103-L112 HydrophobicContact CD2-CD2 3.82Å; F103-L112 HydrophobicContact CD2-CG 3.98Å; F103-L112 HydrophobicContact CE2-CD2 3.9Å; F103-L112 HydrophobicContact CE2-CG 4.42Å; F103-L112 HydrophobicContact CG-CB 4.29Å; F103-L112 PolarHBondContact N-O 3.4Å; F103-L112 PolarHBondContact O-N 3.13Å; L112-I114 HydrophobicContact CD2-CD1 4.03Å; L112-I114 HydrophobicContact CD2-CG1 4.01Å; L112-I114 HydrophobicContact CG-CG1 4.04Å; L112-V152 HydrophobicContact CD1-CG1 4.01Å; L112-V152 HydrophobicContact CD2-CG1 4.04Å; L112-V152 HydrophobicContact CG-CG1 4.49Å; L112-L153 HydrophobicContact CB-CD2 3.86Å; L112-L153 HydrophobicContact CD2-CD2 4.48Å; L112-I179 HydrophobicContact CD2-CD1 3.76Å; L112-V286 HydrophobicContact CD1-CG1 3.8Å; L112-V286 HydrophobicContact CD1-CG2 4.44Å; L112-P298 HydrophobicContact CD1-CB 4.35Å; L112-P298 HydrophobicContact CD1-CG 4.19Å |
| 113 | C | 89.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.9 | 170.4 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | L102 Y297 P298 T299 A300 | L102-C113 HydrophobicContact CD2-CB 3.64Å; L102-C113 VanDerWaalsContact CD2-SG 3.55Å; C113-Y297 HydrophobicContact CB-CD2 3.82Å; C113-Y297 HydrophobicContact CB-CE2 3.51Å; C113-P298 PolarHBondContact N-O 3.21Å; C113-T299 HydrophobicContact CB-CG2 4.43Å; C113-T299 CarbonylContact O-C 3.54Å; C113-T299 VanDerWaalsContact O-CA 3.3Å; C113-T299 WeakPolarHBondContact O-CA 3.13Å; C113-A300 PolarHBondContact O-N 3.47Å |
| 114 | I | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.1 | 174.4 | -50.9 | -176.5 | 0 | 0 | 0 | 109.3 | L101 F103 L112 T116 F144 I179 A300 | L101-I114 HydrophobicContact CB-CB 4.29Å; L101-I114 HydrophobicContact CD2-CD1 4.36Å; L101-I114 PolarHBondContact N-O 3.06Å; L101-I114 PolarHBondContact O-N 3.28Å; F103-I114 HydrophobicContact CE2-CD1 3.76Å; F103-I114 HydrophobicContact CE2-CG1 4.12Å; F103-I114 HydrophobicContact CZ-CD1 4.41Å; L112-I114 HydrophobicContact CD2-CD1 4.03Å; L112-I114 HydrophobicContact CD2-CG1 4.01Å; L112-I114 HydrophobicContact CG-CG1 4.04Å; I114-T116 HydrophobicContact CG2-CG2 4.04Å; I114-F144 HydrophobicContact CD1-CD1 4.27Å; I114-F144 HydrophobicContact CD1-CE1 3.92Å; I114-F144 HydrophobicContact CD1-CZ 4.18Å; I114-F144 HydrophobicContact CG2-CE1 4.19Å; I114-F144 HydrophobicContact CG2-CZ 4.22Å; I114-I179 HydrophobicContact CD1-CD1 4.35Å; I114-A300 WeakPolarHBondContact CA-O 3.27Å |
| 115 | K | 86 | Confident | 82 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 101.3 | 174.3 | -57.6 | -163.7 | -177.7 | -128.7 | 0 | 109.3 | E100 T299 A300 M301 C302 | E100-K115 HydrophobicContact CG-CG 4.24Å; E100-K115 VanDerWaalsContact OE1-CE 3.29Å; E100-K115 WeakPolarHBondContact OE1-CE 3.45Å; E100-K115 IonicContact OE1-NZ 3.07Å; E100-K115 PolarHBondContact OE1-NZ 2.98Å; K115-T299 HydrophobicContact CD-CG2 4.3Å; K115-T299 HydrophobicContact CG-CG2 4.11Å; K115-A300 PolarHBondContact N-O 2.96Å; K115-M301 HydrophobicContact CB-CG 4.31Å; K115-M301 WeakPolarHBondContact O-CA 3.27Å; K115-C302 PolarHBondContact O-N 3.39Å |
| 116 | T | 80.2 | Confident | 81.7 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -82.1 | -20.5 | -172.3 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | G99 I114 F118 Y137 I142 | G99-T116 PolarHBondContact O-OG1 3.3Å; I114-T116 HydrophobicContact CG2-CG2 4.04Å; T116-F118 VanDerWaalsContact O-CD2 3.25Å; T116-F118 WeakPolarHBondContact O-CD2 3.4Å; T116-F118 WeakPolarHBondContact O-CE2 3.25Å; T116-F118 PolarHBondContact O-N 2.89Å; T116-Y137 WeakPolarHBondContact CB-OH 3.34Å; T116-Y137 WeakPolarHBondContact CG2-OH 3.22Å; T116-Y137 PolarHBondContact OG1-OH 3.49Å; T116-Y137 VanDerWaalsContact OG1-OH 3.07Å; T116-I142 HydrophobicContact CG2-CD1 3.86Å | ||
| 117 | G | 77.6 | Confident | 81.6 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 71% | 0.711 | 21% | 0.208 | S | C | * | . | trans | 74.9 | 7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 118 | F | 79.7 | Confident | 81.1 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -94.3 | 177.7 | 174 | -62.7 | -75.2 | 0 | 0 | 0 | 111.6 | T116 Y137 T140 I142 L183 | T116-F118 VanDerWaalsContact O-CD2 3.25Å; T116-F118 WeakPolarHBondContact O-CD2 3.4Å; T116-F118 WeakPolarHBondContact O-CE2 3.25Å; T116-F118 PolarHBondContact O-N 2.89Å; F118-Y137 HydrophobicContact CB-CD1 3.49Å; F118-Y137 VanDerWaalsContact CB-CD1 3.49Å; F118-Y137 HydrophobicContact CB-CD2 4.45Å; F118-Y137 HydrophobicContact CB-CE1 3.82Å; F118-Y137 HydrophobicContact CB-CG 3.83Å; F118-Y137 HydrophobicContact CD2-CD2 4.5Å; F118-Y137 HydrophobicContact CD2-CE2 4.47Å; F118-Y137 HydrophobicContact CG-CD1 4.41Å; F118-Y137 HydrophobicContact CG-CG 4.34Å; F118-T140 HydrophobicContact CE1-CG2 4.24Å; F118-T140 HydrophobicContact CZ-CG2 4.35Å; F118-I142 HydrophobicContact CD2-CD1 3.67Å; F118-I142 HydrophobicContact CE2-CD1 3.59Å; F118-I142 HydrophobicContact CE2-CG1 4.31Å; F118-L183 HydrophobicContact CE1-CD1 4.44Å; F118-L183 HydrophobicContact CE1-CD2 4.42Å; F118-L183 HydrophobicContact CE2-CD1 3.75Å; F118-L183 HydrophobicContact CZ-CD1 3.55Å; F118-L183 HydrophobicContact CZ-CD2 3.66Å; F118-L183 HydrophobicContact CZ-CG 4.24Å |
| 119 | D | 79.2 | Confident | 80.5 | Confident | 107 Ų | 107 | 35.6 Ų | 35.6 | 57% | 0.572 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -62.9 | -173.6 | 172.8 | -61.4 | -32.7 | 0 | 0 | 0 | 112 | G99 V121 Y137 | G99-D119 VanDerWaalsContact CA-O 3.3Å; G99-D119 WeakPolarHBondContact CA-O 3.35Å; D119-V121 PolarHBondContact O-N 2.97Å; D119-Y137 WeakPolarHBondContact O-CD1 3.37Å; D119-Y137 WeakPolarHBondContact O-CE1 3.27Å |
| 120 | S | 85.5 | Confident | 79.7 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | trans | -43.5 | 129 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 113.7 | K69 E97 | K69-S120 VanDerWaalsContact CG-OG 3.31Å; K69-S120 WeakPolarHBondContact CG-OG 3.11Å; E97-S120 WeakPolarHBondContact O-CA 3.39Å; E97-S120 WeakPolarHBondContact O-CB 3.28Å; E97-S120 PolarHBondContact O-N 3.49Å | ||
| 121 | V | 86.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -58.8 | 136.8 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | K69 A70 L96 D119 I124 V135 Y137 | K69-V121 WeakPolarHBondContact CB-O 3.28Å; A70-V121 HydrophobicContact CB-CG1 4.04Å; L96-V121 PolarHBondContact O-N 3.1Å; D119-V121 PolarHBondContact O-N 2.97Å; V121-I124 HydrophobicContact CG1-CD1 4.43Å; V121-I124 HydrophobicContact CG1-CG1 4.09Å; V121-V135 HydrophobicContact CG1-CG1 3.62Å; V121-V135 HydrophobicContact CG2-CG1 4.39Å; V121-Y137 HydrophobicContact CB-CE1 4.49Å; V121-Y137 HydrophobicContact CG2-CE1 3.75Å | ||
| 122 | R | 83.6 | Confident | 78.4 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | trans | -108.2 | -43.8 | -178.4 | -66.7 | -69.6 | -174.5 | 139.4 | 8.6 | 112.6 | L136 E191 | R122-L136 HydrophobicContact CB-CD2 4.19Å; R122-L136 HydrophobicContact CB-CG 4.2Å; R122-L136 WeakPolarHBondContact CB-O 2.99Å; R122-L136 PolarHBondContact N-O 3.12Å; R122-E191 IonicContact CZ-OE2 3.96Å; R122-E191 IonicContact NH1-OE2 3.81Å; R122-E191 IonicContact NH2-OE2 3.96Å; R122-E191 PolarHBondContact NH2-OE2 3.42Å | ||
| 123 | S | 84.1 | Confident | 78.2 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 158.3 | 174.4 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | H125 L136 F195 | S123-H125 PolarHBondContact OG-NE2 3.25Å; S123-L136 PolarHBondContact O-N 3.2Å; S123-F195 VanDerWaalsContact OG-CD1 3.24Å; S123-F195 WeakPolarHBondContact OG-CD1 3.31Å; S123-F195 VanDerWaalsContact OG-CE1 3.3Å; S123-F195 WeakPolarHBondContact OG-CE1 3.45Å |
| 124 | I | 85.8 | Confident | 78 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.1 | -178.6 | -59.8 | 164 | 0 | 0 | 0 | 107.1 | A70 V93 L101 V121 L133 C134 V135 | A70-I124 HydrophobicContact CB-CD1 3.82Å; A70-I124 HydrophobicContact CB-CG1 3.91Å; V93-I124 HydrophobicContact CG1-CD1 4.02Å; V93-I124 HydrophobicContact CG1-CG2 4.25Å; L101-I124 HydrophobicContact CD1-CD1 3.75Å; L101-I124 HydrophobicContact CD1-CG1 4.14Å; V121-I124 HydrophobicContact CG1-CD1 4.43Å; V121-I124 HydrophobicContact CG1-CG1 4.09Å; I124-L133 HydrophobicContact CG2-CD1 3.59Å; I124-L133 HydrophobicContact CG2-CG 4.45Å; I124-C134 WeakPolarHBondContact CA-O 3.38Å; I124-V135 HydrophobicContact CG1-CG1 4.38Å; I124-V135 HydrophobicContact CG1-CG2 4.41Å |
| 125 | H | 79 | Confident | 77.9 | Confident | 49 Ų | 49 | 30.5 Ų | 30.5 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.5 | -178.9 | -63.7 | -57 | 0 | 0 | 0 | 111.6 | S123 C134 Y194 F195 | S123-H125 PolarHBondContact OG-NE2 3.25Å; H125-C134 PolarHBondContact N-O 3.28Å; H125-C134 WeakPolarHBondContact O-CA 3.35Å; H125-C134 WeakPolarHBondContact O-CB 3.18Å; H125-C134 PolarHBondContact O-N 2.9Å; H125-Y194 AromaticContact CE1-CE2 3.64Å; H125-Y194 AromaticContact CE1-CZ 3.88Å; H125-Y194 AromaticContact NE2-CD2 3.86Å; H125-Y194 AromaticContact NE2-CE2 3.22Å; H125-Y194 WeakPolarHBondContact NE2-CE2 3.3Å; H125-Y194 AromaticContact NE2-CZ 3.53Å; H125-F195 HydrophobicContact CB-CE1 4.42Å; H125-F195 HydrophobicContact CB-CZ 4.02Å; H125-F195 AromaticContact CD2-CD1 3.94Å; H125-F195 AromaticContact CD2-CE1 3.6Å; H125-F195 PolarHBondContact CD2-O 3.09Å |
| 126 | L | 75.6 | Confident | 78 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 18% | 0.183 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 151.7 | 166.5 | -66.5 | 176.7 | 0 | 0 | 0 | 110.9 | L74 N132 L133 L146 | L74-L126 HydrophobicContact CD2-CD1 3.72Å; L74-L126 HydrophobicContact CD2-CD2 3.85Å; L74-L126 HydrophobicContact CD2-CG 3.82Å; L126-N132 WeakPolarHBondContact CA-O 3.46Å; L126-L133 HydrophobicContact CD2-CB 4.43Å; L126-L133 HydrophobicContact CD2-CD1 4.1Å; L126-L146 HydrophobicContact CD2-CD2 3.74Å |
| 127 | T | 70.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | trans | -66 | 160.5 | 168.1 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | C129 G130 N132 C134 C197 I226 | T127-C129 PolarHBondContact O-N 2.96Å; T127-C129 VanDerWaalsContact O-N 3.09Å; T127-C129 PolarHBondContact OG1-SG 2.88Å; T127-G130 PolarHBondContact O-N 3.43Å; T127-N132 HydrophobicContact CG2-CB 3.89Å; T127-N132 PolarHBondContact N-O 2.69Å; T127-N132 PolarHBondContact OG1-N 2.84Å; T127-C134 VanDerWaalsContact CG2-SG 3.55Å; T127-C197 HydrophobicContact CG2-CB 4.38Å; T127-I226 HydrophobicContact CG2-CD1 3.91Å | ||
| 128 | S | 62 | Low | 78.3 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 22% | 0.217 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.6 | 178.9 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | S199 | S128-S199 PolarHBondContact OG-N 3.42Š|
| 129 | C | 58.1 | Low | 78.3 | Confident | 47 Ų | 47 | 27 Ų | 27 | 32% | 0.318 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.1 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | T127 E131 | T127-C129 PolarHBondContact O-N 2.96Å; T127-C129 VanDerWaalsContact O-N 3.09Å; T127-C129 PolarHBondContact OG1-SG 2.88Å; C129-E131 HydrophobicContact CB-CG 4.08Å; C129-E131 PolarHBondContact O-N 2.86Å; C129-E131 PolarHBondContact SG-OE2 3.17Å |
| 130 | G | 63.2 | Low | 78.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 75.9 | -7.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T127 N132 L146 Y437 | T127-G130 PolarHBondContact O-N 3.43Å; G130-N132 PolarHBondContact O-N 3.41Å; G130-L146 VanDerWaalsContact O-CD2 3.22Å; G130-L146 WeakPolarHBondContact O-CD2 3.31Å; G130-Y437 VanDerWaalsContact O-CD2 3.3Å; G130-Y437 WeakPolarHBondContact O-CD2 3.34Å |
| 131 | E | 64.9 | Low | 78.5 | Confident | 40 Ų | 40 | 21 Ų | 21 | 19% | 0.187 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -78.3 | -18.4 | -169.6 | -62.1 | 165.7 | 172.4 | 0 | 0 | 114.8 | C129 L146 R211 C225 | C129-E131 HydrophobicContact CB-CG 4.08Å; C129-E131 PolarHBondContact O-N 2.86Å; C129-E131 PolarHBondContact SG-OE2 3.17Å; E131-L146 WeakPolarHBondContact O-CB 3.46Å; E131-L146 PolarHBondContact O-N 3.32Å; E131-R211 IonicContact OE1-NH1 2.66Å; E131-C225 VanDerWaalsContact CD-CB 3.47Å; E131-C225 HydrophobicContact CG-CB 4.48Å; E131-C225 WeakPolarHBondContact OE2-CB 3.24Å |
| 132 | N | 76.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.6 | -177.7 | -62.6 | -86.1 | 0 | 0 | 0 | 111.9 | L126 T127 G130 Y143 F144 N145 I226 | L126-N132 WeakPolarHBondContact CA-O 3.46Å; T127-N132 HydrophobicContact CG2-CB 3.89Å; T127-N132 PolarHBondContact N-O 2.69Å; T127-N132 PolarHBondContact OG1-N 2.84Å; G130-N132 PolarHBondContact O-N 3.41Å; N132-Y143 HydrophobicContact CB-CD2 4.32Å; N132-F144 CarbonylContact C-O 3.51Å; N132-F144 VanDerWaalsContact CA-O 3.26Å; N132-F144 WeakPolarHBondContact CA-O 3.42Å; N132-F144 WeakPolarHBondContact CB-O 3.33Å; N132-F144 PolarHBondContact OD1-O 3.23Å; N132-N145 WeakPolarHBondContact OD1-CA 3.05Å; N132-I226 WeakPolarHBondContact ND2-CD1 3.42Å |
| 133 | L | 85 | Confident | 78.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.2 | 171.1 | 179.6 | 67.2 | 0 | 0 | 0 | 109.7 | L74 V93 L101 F103 I124 L126 Y143 F144 L146 | L74-L133 HydrophobicContact CD1-CD1 4.15Å; V93-L133 HydrophobicContact CG1-CD2 4.34Å; L101-L133 HydrophobicContact CD2-CD2 4.37Å; F103-L133 HydrophobicContact CE1-CD2 3.68Å; F103-L133 HydrophobicContact CZ-CD2 3.54Å; I124-L133 HydrophobicContact CG2-CD1 3.59Å; I124-L133 HydrophobicContact CG2-CG 4.45Å; L126-L133 HydrophobicContact CD2-CB 4.43Å; L126-L133 HydrophobicContact CD2-CD1 4.1Å; L133-Y143 CarbonylContact O-C 3.6Å; L133-Y143 VanDerWaalsContact O-CA 3.26Å; L133-Y143 WeakPolarHBondContact O-CA 3.27Å; L133-F144 PolarHBondContact N-O 3.42Å; L133-F144 WeakPolarHBondContact O-CD2 3.31Å; L133-F144 PolarHBondContact O-N 2.89Å; L133-L146 HydrophobicContact CB-CD1 4.27Å |
| 134 | C | 85.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.3 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 111 | I124 H125 T127 I141 I142 Y143 F195 | I124-C134 WeakPolarHBondContact CA-O 3.38Å; H125-C134 PolarHBondContact N-O 3.28Å; H125-C134 WeakPolarHBondContact O-CA 3.35Å; H125-C134 WeakPolarHBondContact O-CB 3.18Å; H125-C134 PolarHBondContact O-N 2.9Å; T127-C134 VanDerWaalsContact CG2-SG 3.55Å; C134-I141 HydrophobicContact CB-CG2 4.46Å; C134-I142 CarbonylContact C-O 3.56Å; C134-I142 WeakPolarHBondContact CA-O 3.39Å; C134-Y143 WeakPolarHBondContact SG-CB 3.46Å; C134-F195 HydrophobicContact CB-CE2 3.3Å; C134-F195 HydrophobicContact CB-CZ 3.28Å; C134-F195 WeakPolarHBondContact O-CZ 2.89Å |
| 135 | V | 87.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L101 V121 I124 Y137 I141 I142 F144 | L101-V135 HydrophobicContact CD1-CG1 4.27Å; L101-V135 HydrophobicContact CD1-CG2 3.91Å; L101-V135 HydrophobicContact CD2-CG2 4.15Å; V121-V135 HydrophobicContact CG1-CG1 3.62Å; V121-V135 HydrophobicContact CG2-CG1 4.39Å; I124-V135 HydrophobicContact CG1-CG1 4.38Å; I124-V135 HydrophobicContact CG1-CG2 4.41Å; V135-Y137 HydrophobicContact CB-CE2 4.11Å; V135-Y137 HydrophobicContact CG1-CD2 4.49Å; V135-Y137 HydrophobicContact CG1-CE2 3.65Å; V135-I141 WeakPolarHBondContact O-CA 3.35Å; V135-I142 PolarHBondContact N-O 2.68Å; V135-I142 PolarHBondContact O-N 3.5Å; V135-F144 HydrophobicContact CG2-CD2 4.37Å; V135-F144 HydrophobicContact CG2-CE2 3.85Å |
| 136 | L | 87 | Confident | 78.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.4 | 178.9 | 176 | 71.8 | 0 | 0 | 0 | 112 | R122 S123 I141 I186 F195 | R122-L136 HydrophobicContact CB-CD2 4.19Å; R122-L136 HydrophobicContact CB-CG 4.2Å; R122-L136 WeakPolarHBondContact CB-O 2.99Å; R122-L136 PolarHBondContact N-O 3.12Å; S123-L136 PolarHBondContact O-N 3.2Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD1-CG1 3.76Å; L136-I186 HydrophobicContact CD1-CD1 3.69Å; L136-F195 HydrophobicContact CB-CD1 3.24Å; L136-F195 HydrophobicContact CB-CE1 3.45Å; L136-F195 VanDerWaalsContact CB-CE1 3.45Å; L136-F195 HydrophobicContact CB-CG 4.13Å; L136-F195 HydrophobicContact CD1-CB 4.41Å; L136-F195 HydrophobicContact CD1-CD1 4.34Å; L136-F195 HydrophobicContact CD1-CG 4.5Å; L136-F195 HydrophobicContact CD2-CB 4.18Å; L136-F195 HydrophobicContact CD2-CD1 3.82Å; L136-F195 HydrophobicContact CD2-CG 4.41Å; L136-F195 HydrophobicContact CG-CD1 3.98Å |
| 137 | Y | 86 | Confident | 78.4 | Confident | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | trans | -116.2 | -179.5 | 167.5 | -59.1 | -87.9 | 0 | 0 | 0 | 109.3 | T116 F118 D119 V121 V135 T139 T140 I142 | T116-Y137 WeakPolarHBondContact CB-OH 3.34Å; T116-Y137 WeakPolarHBondContact CG2-OH 3.22Å; T116-Y137 PolarHBondContact OG1-OH 3.49Å; T116-Y137 VanDerWaalsContact OG1-OH 3.07Å; F118-Y137 HydrophobicContact CB-CD1 3.49Å; F118-Y137 VanDerWaalsContact CB-CD1 3.49Å; F118-Y137 HydrophobicContact CB-CD2 4.45Å; F118-Y137 HydrophobicContact CB-CE1 3.82Å; F118-Y137 HydrophobicContact CB-CG 3.83Å; F118-Y137 HydrophobicContact CD2-CD2 4.5Å; F118-Y137 HydrophobicContact CD2-CE2 4.47Å; F118-Y137 HydrophobicContact CG-CD1 4.41Å; F118-Y137 HydrophobicContact CG-CG 4.34Å; D119-Y137 WeakPolarHBondContact O-CD1 3.37Å; D119-Y137 WeakPolarHBondContact O-CE1 3.27Å; V121-Y137 HydrophobicContact CB-CE1 4.49Å; V121-Y137 HydrophobicContact CG2-CE1 3.75Å; V135-Y137 HydrophobicContact CB-CE2 4.11Å; V135-Y137 HydrophobicContact CG1-CD2 4.49Å; V135-Y137 HydrophobicContact CG1-CE2 3.65Å; Y137-T139 VanDerWaalsContact C-N 3.29Å; Y137-T139 PolarHBondContact O-N 2.77Å; Y137-T139 VanDerWaalsContact O-N 3.1Å; Y137-T140 WeakPolarHBondContact CB-O 3.36Å; Y137-T140 PolarHBondContact N-O 2.99Å; Y137-I142 HydrophobicContact CD2-CD1 4.11Å; Y137-I142 HydrophobicContact CD2-CG1 4.07Å; Y137-I142 HydrophobicContact CE2-CB 4.31Å; Y137-I142 HydrophobicContact CE2-CD1 3.39Å; Y137-I142 HydrophobicContact CE2-CG1 3.67Å | ||
| 138 | K | 79.7 | Confident | 78.9 | Confident | 80 Ų | 80 | 18.2 Ų | 18.2 | 35% | 0.348 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -48.4 | -43.2 | -174.4 | -174.1 | 175.5 | 166.8 | 141.1 | 0 | 115.2 | E191 S192 | K138-E191 WeakPolarHBondContact CE-OE1 3.36Å; K138-E191 HydrophobicContact CG-CG 4.21Å; K138-E191 IonicContact NZ-OE1 2.71Å; K138-E191 PolarHBondContact NZ-OE1 3.48Å; K138-S192 PolarHBondContact O-OG 3.38Å |
| 139 | T | 78.7 | Confident | 79.9 | Confident | 49 Ų | 49 | 16.7 Ų | 16.7 | 30% | 0.301 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -139.5 | 14.7 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | Y137 I186 | Y137-T139 VanDerWaalsContact C-N 3.29Å; Y137-T139 PolarHBondContact O-N 2.77Å; Y137-T139 VanDerWaalsContact O-N 3.1Å; T139-I186 PolarHBondContact O-N 2.88Å |
| 140 | T | 84.3 | Confident | 81 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.9 | -166.3 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | F118 Y137 L183 L184 K307 | F118-T140 HydrophobicContact CE1-CG2 4.24Å; F118-T140 HydrophobicContact CZ-CG2 4.35Å; Y137-T140 WeakPolarHBondContact CB-O 3.36Å; Y137-T140 PolarHBondContact N-O 2.99Å; T140-L183 HydrophobicContact CG2-CD1 3.18Å; T140-L183 HydrophobicContact CG2-CD2 4.47Å; T140-L183 HydrophobicContact CG2-CG 3.72Å; T140-L184 CarbonylContact C-O 3.54Å; T140-L184 VanDerWaalsContact CA-O 3.27Å; T140-L184 WeakPolarHBondContact CA-O 3.39Å; T140-L184 WeakPolarHBondContact CG2-O 3.38Å; T140-K307 PolarHBondContact OG1-NZ 2.67Å |
| 141 | I | 85.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127 | 175.4 | -55.9 | 170.6 | 0 | 0 | 0 | 107.3 | C134 V135 L136 L184 I186 F195 W233 T235 | C134-I141 HydrophobicContact CB-CG2 4.46Å; V135-I141 WeakPolarHBondContact O-CA 3.35Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD1-CG1 3.76Å; I141-L184 HydrophobicContact CB-CB 4.24Å; I141-L184 PolarHBondContact N-O 3.37Å; I141-L184 PolarHBondContact O-N 2.61Å; I141-I186 HydrophobicContact CD1-CD1 4.1Å; I141-I186 HydrophobicContact CD1-CG1 4.07Å; I141-I186 HydrophobicContact CG1-CD1 3.96Å; I141-I186 HydrophobicContact CG1-CG1 4.12Å; I141-F195 HydrophobicContact CD1-CB 4.41Å; I141-F195 HydrophobicContact CD1-CD2 4.13Å; I141-F195 HydrophobicContact CD1-CG 4.38Å; I141-F195 HydrophobicContact CG2-CD2 4.4Å; I141-F195 HydrophobicContact CG2-CE2 4.18Å; I141-W233 HydrophobicContact CD1-CE3 3.78Å; I141-W233 HydrophobicContact CD1-CZ3 4.24Å; I141-W233 HydrophobicContact CG2-CE3 4.36Å; I141-W233 HydrophobicContact CG2-CH2 4.36Å; I141-W233 HydrophobicContact CG2-CZ3 3.73Å; I141-T235 HydrophobicContact CD1-CG2 4.17Å |
| 142 | I | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.3 | 169.3 | -53.6 | -180 | 0 | 0 | 0 | 107.1 | T116 F118 C134 V135 Y137 F144 Y181 R182 L183 | T116-I142 HydrophobicContact CG2-CD1 3.86Å; F118-I142 HydrophobicContact CD2-CD1 3.67Å; F118-I142 HydrophobicContact CE2-CD1 3.59Å; F118-I142 HydrophobicContact CE2-CG1 4.31Å; C134-I142 CarbonylContact C-O 3.56Å; C134-I142 WeakPolarHBondContact CA-O 3.39Å; V135-I142 PolarHBondContact N-O 2.68Å; V135-I142 PolarHBondContact O-N 3.5Å; Y137-I142 HydrophobicContact CD2-CD1 4.11Å; Y137-I142 HydrophobicContact CD2-CG1 4.07Å; Y137-I142 HydrophobicContact CE2-CB 4.31Å; Y137-I142 HydrophobicContact CE2-CD1 3.39Å; Y137-I142 HydrophobicContact CE2-CG1 3.67Å; I142-F144 HydrophobicContact CB-CE2 4.2Å; I142-F144 HydrophobicContact CB-CZ 4.25Å; I142-F144 HydrophobicContact CG2-CD1 4.34Å; I142-F144 HydrophobicContact CG2-CD2 4.23Å; I142-F144 HydrophobicContact CG2-CE1 3.77Å; I142-F144 HydrophobicContact CG2-CE2 3.64Å; I142-F144 HydrophobicContact CG2-CZ 3.39Å; I142-Y181 HydrophobicContact CG2-CD2 3.96Å; I142-R182 WeakPolarHBondContact CA-O 3.22Å; I142-L183 HydrophobicContact CD1-CD1 4.19Å; I142-L183 HydrophobicContact CG1-CD1 3.55Å |
| 143 | Y | 83.7 | Confident | 83 | Confident | 19 Ų | 19 | 14.9 Ų | 14.9 | 8% | 0.075 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.6 | 168.5 | 67.3 | -84.3 | 0 | 0 | 0 | 110.9 | N132 L133 C134 Y181 R182 L184 M224 W233 | N132-Y143 HydrophobicContact CB-CD2 4.32Å; L133-Y143 CarbonylContact O-C 3.6Å; L133-Y143 VanDerWaalsContact O-CA 3.26Å; L133-Y143 WeakPolarHBondContact O-CA 3.27Å; C134-Y143 WeakPolarHBondContact SG-CB 3.46Å; Y143-Y181 WeakPolarHBondContact O-CA 3.23Å; Y143-R182 HydrophobicContact CD1-CB 4.21Å; Y143-R182 HydrophobicContact CE1-CB 3.49Å; Y143-R182 VanDerWaalsContact CE1-CB 3.49Å; Y143-R182 HydrophobicContact CE2-CB 4.21Å; Y143-R182 PolarHBondContact N-O 3.49Å; Y143-R182 PolarHBondContact O-N 2.86Å; Y143-R182 VanDerWaalsContact O-N 3.14Å; Y143-R182 WeakPolarHBondContact OH-CD 3.42Å; Y143-L184 HydrophobicContact CD1-CD1 3.81Å; Y143-L184 HydrophobicContact CD1-CG 4.05Å; Y143-L184 HydrophobicContact CE1-CD1 3.58Å; Y143-L184 HydrophobicContact CE1-CD2 4.03Å; Y143-L184 HydrophobicContact CE1-CG 3.69Å; Y143-M224 HydrophobicContact CD2-CE 3.46Å; Y143-M224 VanDerWaalsContact CD2-CE 3.46Å; Y143-M224 HydrophobicContact CD2-SD 4.46Å; Y143-M224 HydrophobicContact CE2-CE 3.28Å; Y143-M224 HydrophobicContact CE2-SD 3.69Å; Y143-W233 AromaticContact CD1-CH2 3.96Å; Y143-W233 HydrophobicContact CD1-CH2 3.96Å; Y143-W233 HydrophobicContact CD1-CZ2 4.24Å; Y143-W233 HydrophobicContact CE1-CZ2 4.33Å; Y143-W233 HydrophobicContact CG-CH2 4.27Å |
| 144 | F | 85.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.2 | -177.6 | -54 | -86.4 | 0 | 0 | 0 | 109.2 | L101 I114 N132 L133 V135 I142 L146 V149 I179 L284 | L101-F144 HydrophobicContact CD2-CE2 4.14Å; I114-F144 HydrophobicContact CD1-CD1 4.27Å; I114-F144 HydrophobicContact CD1-CE1 3.92Å; I114-F144 HydrophobicContact CD1-CZ 4.18Å; I114-F144 HydrophobicContact CG2-CE1 4.19Å; I114-F144 HydrophobicContact CG2-CZ 4.22Å; N132-F144 CarbonylContact C-O 3.51Å; N132-F144 VanDerWaalsContact CA-O 3.26Å; N132-F144 WeakPolarHBondContact CA-O 3.42Å; N132-F144 WeakPolarHBondContact CB-O 3.33Å; N132-F144 PolarHBondContact OD1-O 3.23Å; L133-F144 PolarHBondContact N-O 3.42Å; L133-F144 WeakPolarHBondContact O-CD2 3.31Å; L133-F144 PolarHBondContact O-N 2.89Å; V135-F144 HydrophobicContact CG2-CD2 4.37Å; V135-F144 HydrophobicContact CG2-CE2 3.85Å; I142-F144 HydrophobicContact CB-CE2 4.2Å; I142-F144 HydrophobicContact CB-CZ 4.25Å; I142-F144 HydrophobicContact CG2-CD1 4.34Å; I142-F144 HydrophobicContact CG2-CD2 4.23Å; I142-F144 HydrophobicContact CG2-CE1 3.77Å; I142-F144 HydrophobicContact CG2-CE2 3.64Å; I142-F144 HydrophobicContact CG2-CZ 3.39Å; F144-L146 PolarHBondContact O-N 2.9Å; F144-V149 HydrophobicContact CB-CG2 4.09Å; F144-I179 HydrophobicContact CB-CG2 4.23Å; F144-I179 HydrophobicContact CD1-CG2 4.1Å; F144-L284 HydrophobicContact CD1-CD1 3.79Å; F144-L284 HydrophobicContact CE1-CD1 3.47Å; F144-L284 VanDerWaalsContact CE1-CD1 3.47Å |
| 145 | N | 81.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 123.3 | 170 | -178.4 | -47.7 | 0 | 0 | 0 | 109.2 | N132 D147 D148 V149 R180 M224 | N132-N145 WeakPolarHBondContact OD1-CA 3.05Å; N145-D147 WeakPolarHBondContact OD1-CB 3.44Å; N145-D147 PolarHBondContact OD1-N 3.43Å; N145-D148 HydrophobicContact CB-CB 4.33Å; N145-D148 PolarHBondContact OD1-N 3.07Å; N145-V149 WeakPolarHBondContact O-CG2 3.32Å; N145-V149 PolarHBondContact O-N 3.31Å; N145-R180 HydrophobicContact CB-CB 4.21Å; N145-R180 PolarHBondContact N-O 3.13Å; N145-R180 PolarHBondContact ND2-NH2 3.2Å; N145-M224 HydrophobicContact CB-CE 4.47Å |
| 146 | L | 80.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.1 | -29.8 | -173.5 | -166 | 57.4 | 0 | 0 | 0 | 113.1 | L74 F76 L126 G130 E131 L133 F144 D148 V149 E150 Y437 | L74-L146 HydrophobicContact CD1-CD1 4.29Å; F76-L146 HydrophobicContact CE1-CD1 3.93Å; F76-L146 HydrophobicContact CE1-CG 4.07Å; F76-L146 HydrophobicContact CZ-CD1 3.74Å; F76-L146 HydrophobicContact CZ-CG 4.36Å; L126-L146 HydrophobicContact CD2-CD2 3.74Å; G130-L146 VanDerWaalsContact O-CD2 3.22Å; G130-L146 WeakPolarHBondContact O-CD2 3.31Å; E131-L146 WeakPolarHBondContact O-CB 3.46Å; E131-L146 PolarHBondContact O-N 3.32Å; L133-L146 HydrophobicContact CB-CD1 4.27Å; F144-L146 PolarHBondContact O-N 2.9Å; L146-D148 VanDerWaalsContact C-N 3.34Å; L146-V149 HydrophobicContact CD1-CB 4.27Å; L146-V149 HydrophobicContact CD1-CG1 4.32Å; L146-V149 PolarHBondContact O-N 3.37Å; L146-E150 WeakPolarHBondContact O-CB 3.32Å; L146-E150 PolarHBondContact O-N 2.98Å; L146-Y437 HydrophobicContact CB-CD2 4.47Å; L146-Y437 HydrophobicContact CB-CE2 4.13Å; L146-Y437 HydrophobicContact CD2-CD1 3.99Å; L146-Y437 HydrophobicContact CD2-CD2 3.33Å; L146-Y437 HydrophobicContact CD2-CE1 4.4Å; L146-Y437 HydrophobicContact CD2-CE2 3.75Å; L146-Y437 HydrophobicContact CD2-CG 3.41Å; L146-Y437 VanDerWaalsContact CD2-CG 3.41Å; L146-Y437 HydrophobicContact CG-CD1 4.48Å; L146-Y437 HydrophobicContact CG-CD2 4.03Å; L146-Y437 HydrophobicContact CG-CE1 4.43Å; L146-Y437 HydrophobicContact CG-CE2 3.91Å; L146-Y437 HydrophobicContact CG-CG 4.26Å |
| 147 | D | 75.5 | Confident | 81.3 | Confident | 77 Ų | 77 | 20.6 Ų | 20.6 | 41% | 0.412 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65 | -40.9 | 176.1 | -57 | -21.1 | 0 | 0 | 0 | 110.6 | N145 V149 E150 G151 Y437 | N145-D147 WeakPolarHBondContact OD1-CB 3.44Å; N145-D147 PolarHBondContact OD1-N 3.43Å; D147-V149 VanDerWaalsContact C-N 3.35Å; D147-E150 PolarHBondContact O-N 3.25Å; D147-G151 PolarHBondContact O-N 2.72Å; D147-Y437 PolarHBondContact OD1-OH 3.11Å |
| 148 | D | 80.2 | Confident | 80.6 | Confident | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -41 | 176 | -61.9 | -14.7 | 0 | 0 | 0 | 111 | N145 L146 G151 V152 I179 R180 | N145-D148 HydrophobicContact CB-CB 4.33Å; N145-D148 PolarHBondContact OD1-N 3.07Å; L146-D148 VanDerWaalsContact C-N 3.34Å; D148-G151 PolarHBondContact O-N 2.75Å; D148-V152 WeakPolarHBondContact O-CG2 3.23Å; D148-V152 PolarHBondContact O-N 3.02Å; D148-I179 HydrophobicContact CB-CB 4.43Å; D148-I179 HydrophobicContact CB-CG1 4.45Å; D148-I179 HydrophobicContact CB-CG2 4.26Å; D148-R180 IonicContact OD1-CZ 2.78Å; D148-R180 IonicContact OD1-NE 3.35Å; D148-R180 PolarHBondContact OD1-NE 3.47Å; D148-R180 IonicContact OD1-NH2 3.58Å; D148-R180 PolarHBondContact OD1-NH2 2.76Å; D148-R180 WeakPolarHBondContact OD2-CB 3.37Å; D148-R180 VanDerWaalsContact OD2-CG 3.26Å; D148-R180 WeakPolarHBondContact OD2-CG 3.23Å; D148-R180 IonicContact OD2-CZ 2.82Å; D148-R180 PolarHBondContact OD2-N 2.94Å; D148-R180 IonicContact OD2-NE 3.64Å; D148-R180 PolarHBondContact OD2-NE 3.15Å; D148-R180 IonicContact OD2-NH2 3.78Å |
| 149 | V | 83.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | F103 F144 N145 L146 D147 G151 V152 L153 I179 | F103-V149 HydrophobicContact CD1-CG1 4.32Å; F103-V149 HydrophobicContact CE1-CG1 3.72Å; F103-V149 HydrophobicContact CZ-CG1 4.03Å; F144-V149 HydrophobicContact CB-CG2 4.09Å; N145-V149 WeakPolarHBondContact O-CG2 3.32Å; N145-V149 PolarHBondContact O-N 3.31Å; L146-V149 HydrophobicContact CD1-CB 4.27Å; L146-V149 HydrophobicContact CD1-CG1 4.32Å; L146-V149 PolarHBondContact O-N 3.37Å; D147-V149 VanDerWaalsContact C-N 3.35Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 3.25Å; V149-V152 PolarHBondContact O-N 3.16Å; V149-L153 HydrophobicContact CG1-CD1 3.63Å; V149-L153 HydrophobicContact CG1-CG 4.06Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 3.35Å; V149-I179 HydrophobicContact CG2-CD1 4.22Å; V149-I179 HydrophobicContact CG2-CG2 3.86Å |
| 150 | E | 81.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.7 | -176.2 | 172.5 | -148 | 0 | 0 | 111.7 | F76 S78 L146 D147 V152 L153 S154 Y437 | F76-E150 HydrophobicContact CD1-CB 3.88Å; F76-E150 HydrophobicContact CD1-CG 3.67Å; F76-E150 HydrophobicContact CE1-CB 3.82Å; F76-E150 HydrophobicContact CE1-CG 4.16Å; S78-E150 WeakPolarHBondContact CB-OE1 3.28Å; S78-E150 VanDerWaalsContact OG-CD 3.23Å; S78-E150 VanDerWaalsContact OG-CG 3.24Å; S78-E150 WeakPolarHBondContact OG-CG 3.44Å; S78-E150 PolarHBondContact OG-OE1 3.09Å; L146-E150 WeakPolarHBondContact O-CB 3.32Å; L146-E150 PolarHBondContact O-N 2.98Å; D147-E150 PolarHBondContact O-N 3.25Å; E150-V152 PolarHBondContact O-N 2.95Å; E150-L153 PolarHBondContact O-N 2.94Å; E150-S154 VanDerWaalsContact O-CB 3.25Å; E150-S154 WeakPolarHBondContact O-CB 3.25Å; E150-S154 PolarHBondContact O-N 2.56Å; E150-S154 PolarHBondContact O-OG 3.2Å; E150-Y437 WeakPolarHBondContact OE2-CE1 3.5Å; E150-Y437 PolarHBondContact OE2-OH 2.79Å |
| 151 | G | 80.2 | Confident | 78.6 | Confident | 27 Ų | 27 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D147 D148 V149 N155 | D147-G151 PolarHBondContact O-N 2.72Å; D148-G151 PolarHBondContact O-N 2.75Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 3.25Å; G151-N155 PolarHBondContact O-N 3.23Å; G151-N155 VanDerWaalsContact O-N 3.13Å |
| 152 | V | 82.7 | Confident | 77.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L112 D148 V149 E150 N155 S156 M177 I179 V286 W288 | L112-V152 HydrophobicContact CD1-CG1 4.01Å; L112-V152 HydrophobicContact CD2-CG1 4.04Å; L112-V152 HydrophobicContact CG-CG1 4.49Å; D148-V152 WeakPolarHBondContact O-CG2 3.23Å; D148-V152 PolarHBondContact O-N 3.02Å; V149-V152 PolarHBondContact O-N 3.16Å; E150-V152 PolarHBondContact O-N 2.95Å; V152-N155 PolarHBondContact O-N 3.24Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 3.42Å; V152-S156 PolarHBondContact O-OG 2.92Å; V152-M177 HydrophobicContact CB-SD 4.49Å; V152-M177 HydrophobicContact CG2-CB 3.76Å; V152-M177 HydrophobicContact CG2-CG 4.49Å; V152-M177 HydrophobicContact CG2-SD 3.92Å; V152-I179 HydrophobicContact CB-CD1 4.42Å; V152-I179 HydrophobicContact CG1-CD1 4.5Å; V152-I179 HydrophobicContact CG2-CD1 4.07Å; V152-I179 HydrophobicContact CG2-CG1 3.8Å; V152-V286 HydrophobicContact CG1-CG1 3.91Å; V152-V286 HydrophobicContact CG1-CG2 4.25Å; V152-V286 HydrophobicContact CG2-CG2 4.05Å; V152-W288 HydrophobicContact CG1-CH2 4.24Å; V152-W288 HydrophobicContact CG1-CZ2 4.4Å |
| 153 | L | 84 | Confident | 75.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | -179.6 | -61.2 | 169 | 0 | 0 | 0 | 110.9 | F76 F79 V91 F103 L111 L112 V149 E150 N155 S156 F157 | F76-L153 HydrophobicContact CE2-CD1 3.91Å; F76-L153 HydrophobicContact CZ-CD1 4Å; F79-L153 HydrophobicContact CE1-CB 4.2Å; F79-L153 WeakPolarHBondContact CE1-O 3.25Å; F79-L153 HydrophobicContact CZ-CB 3.59Å; V91-L153 HydrophobicContact CG1-CD1 4.09Å; V91-L153 HydrophobicContact CG2-CD1 4.47Å; F103-L153 HydrophobicContact CB-CD2 3.57Å; F103-L153 HydrophobicContact CD1-CD1 4.05Å; F103-L153 HydrophobicContact CD1-CD2 4.17Å; F103-L153 HydrophobicContact CG-CD2 3.94Å; L111-L153 HydrophobicContact CB-CD2 3.61Å; L111-L153 HydrophobicContact CD1-CB 4.42Å; L111-L153 HydrophobicContact CD1-CD2 4.13Å; L112-L153 HydrophobicContact CB-CD2 3.86Å; L112-L153 HydrophobicContact CD2-CD2 4.48Å; V149-L153 HydrophobicContact CG1-CD1 3.63Å; V149-L153 HydrophobicContact CG1-CG 4.06Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 3.35Å; E150-L153 PolarHBondContact O-N 2.94Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 3.14Å; L153-S156 CarbonylContact O-C 3.39Å; L153-S156 WeakPolarHBondContact O-CB 3.25Å; L153-S156 PolarHBondContact O-N 3.19Å; L153-S156 VanDerWaalsContact O-N 3.09Å; L153-F157 WeakPolarHBondContact O-CB 3.47Å; L153-F157 PolarHBondContact O-N 3.29Å |
| 154 | S | 79.1 | Confident | 73.7 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 175.3 | -64 | 0 | 0 | 0 | 0 | 111.3 | S78 E150 S156 F157 T158 | S78-S154 PolarHBondContact OG-OG 2.94Å; E150-S154 VanDerWaalsContact O-CB 3.25Å; E150-S154 WeakPolarHBondContact O-CB 3.25Å; E150-S154 PolarHBondContact O-N 2.56Å; E150-S154 PolarHBondContact O-OG 3.2Å; S154-S156 VanDerWaalsContact C-N 3.31Å; S154-S156 PolarHBondContact O-N 3.39Å; S154-F157 PolarHBondContact O-N 3.1Å; S154-T158 WeakPolarHBondContact O-CG2 3.38Å; S154-T158 PolarHBondContact O-N 3.31Å; S154-T158 PolarHBondContact O-OG1 3.34Å |
| 155 | N | 77 | Confident | 71.3 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -33.7 | 175.8 | -82.4 | 3.1 | 0 | 0 | 0 | 113.4 | G151 V152 L153 F157 T158 Y159 M177 W288 | G151-N155 PolarHBondContact O-N 3.23Å; G151-N155 VanDerWaalsContact O-N 3.13Å; V152-N155 PolarHBondContact O-N 3.24Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 3.14Å; N155-F157 VanDerWaalsContact C-N 3.33Å; N155-T158 WeakPolarHBondContact CA-OG1 3.47Å; N155-T158 PolarHBondContact O-OG1 3.06Å; N155-Y159 WeakPolarHBondContact O-CB 3.23Å; N155-Y159 PolarHBondContact O-N 3.33Å; N155-Y159 VanDerWaalsContact O-N 3.15Å; N155-M177 HydrophobicContact CB-SD 4.13Å; N155-M177 WeakPolarHBondContact ND2-CE 3.42Å; N155-M177 PolarHBondContact ND2-SD 3.33Å; N155-W288 HydrophobicContact CB-CZ2 4.41Å |
| 156 | S | 78.3 | Confident | 69 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L111 V152 L153 S154 L160 P298 | L111-S156 WeakPolarHBondContact O-CB 3.46Å; L111-S156 PolarHBondContact O-OG 3.2Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 3.42Å; V152-S156 PolarHBondContact O-OG 2.92Å; L153-S156 CarbonylContact O-C 3.39Å; L153-S156 WeakPolarHBondContact O-CB 3.25Å; L153-S156 PolarHBondContact O-N 3.19Å; L153-S156 VanDerWaalsContact O-N 3.09Å; S154-S156 VanDerWaalsContact C-N 3.31Å; S154-S156 PolarHBondContact O-N 3.39Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.12Å; S156-L160 VanDerWaalsContact O-N 3.1Å; S156-P298 WeakPolarHBondContact OG-CG 3.39Å |
| 157 | F | 74.7 | Confident | 66.6 | Low | 25 Ų | 25 | 55.2 Ų | 55.2 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.1 | -45 | 177 | -175.7 | -99.9 | 0 | 0 | 0 | 112.3 | F79 H105 L111 L153 S154 N155 Y159 L160 S161 | F79-F157 HydrophobicContact CD1-CB 3.56Å; F79-F157 AromaticContact CD1-CD1 3.74Å; F79-F157 HydrophobicContact CD1-CD1 3.74Å; F79-F157 HydrophobicContact CD1-CD2 4.21Å; F79-F157 HydrophobicContact CD1-CE1 4.48Å; F79-F157 AromaticContact CD1-CG 3.56Å; F79-F157 HydrophobicContact CD1-CG 3.56Å; F79-F157 HydrophobicContact CE1-CB 3.46Å; F79-F157 VanDerWaalsContact CE1-CB 3.46Å; F79-F157 AromaticContact CE1-CG 3.95Å; F79-F157 HydrophobicContact CE1-CG 3.95Å; H105-F157 AromaticContact CD2-CD2 3.66Å; H105-F157 AromaticContact CD2-CE2 3.54Å; H105-F157 AromaticContact CE1-CE2 3.58Å; H105-F157 AromaticContact NE2-CD2 3.85Å; H105-F157 AromaticContact NE2-CE2 3.23Å; H105-F157 WeakPolarHBondContact NE2-CE2 3.19Å; L111-F157 HydrophobicContact CD2-CB 4.45Å; L153-F157 WeakPolarHBondContact O-CB 3.47Å; L153-F157 PolarHBondContact O-N 3.29Å; S154-F157 PolarHBondContact O-N 3.1Å; N155-F157 VanDerWaalsContact C-N 3.33Å; F157-Y159 VanDerWaalsContact C-N 3.28Å; F157-Y159 PolarHBondContact O-N 3.38Å; F157-L160 WeakPolarHBondContact O-CB 3.31Å; F157-L160 PolarHBondContact O-N 2.92Å; F157-L160 VanDerWaalsContact O-N 3.07Å; F157-S161 PolarHBondContact O-N 2.99Å; F157-S161 PolarHBondContact O-OG 2.99Å |
| 158 | T | 71.6 | Confident | 64.5 | Low | 68 Ų | 68 | 63.1 Ų | 63.1 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | S154 N155 L160 S161 D162 | S154-T158 WeakPolarHBondContact O-CG2 3.38Å; S154-T158 PolarHBondContact O-N 3.31Å; S154-T158 PolarHBondContact O-OG1 3.34Å; N155-T158 WeakPolarHBondContact CA-OG1 3.47Å; N155-T158 PolarHBondContact O-OG1 3.06Å; T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.45Å; T158-S161 WeakPolarHBondContact CA-OG 3.36Å; T158-S161 PolarHBondContact O-N 3.41Å; T158-S161 PolarHBondContact O-OG 3.32Å; T158-D162 WeakPolarHBondContact O-CB 3.46Å; T158-D162 PolarHBondContact O-N 3.4Å |
| 159 | Y | 68.7 | Low | 62.3 | Low | 100 Ų | 100 | 64.9 Ų | 64.9 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 175 | -157.2 | -80.1 | 0 | 0 | 0 | 112.6 | N155 F157 C163 F295 | N155-Y159 WeakPolarHBondContact O-CB 3.23Å; N155-Y159 PolarHBondContact O-N 3.33Å; N155-Y159 VanDerWaalsContact O-N 3.15Å; F157-Y159 VanDerWaalsContact C-N 3.28Å; F157-Y159 PolarHBondContact O-N 3.38Å; Y159-C163 VanDerWaalsContact CE1-SG 3.55Å; Y159-C163 PolarHBondContact O-N 3.27Å; Y159-C163 VanDerWaalsContact O-N 3.09Å; Y159-C163 PolarHBondContact O-SG 3.18Å; Y159-F295 AromaticContact CD1-CD2 3.36Å; Y159-F295 HydrophobicContact CD1-CD2 3.36Å; Y159-F295 AromaticContact CD1-CE2 3.29Å; Y159-F295 HydrophobicContact CD1-CE2 3.29Å; Y159-F295 AromaticContact CE1-CD2 3.62Å; Y159-F295 HydrophobicContact CE1-CD2 3.62Å; Y159-F295 AromaticContact CE1-CE2 3.94Å; Y159-F295 HydrophobicContact CE1-CE2 3.94Å; Y159-F295 HydrophobicContact CG-CD2 4.49Å; Y159-F295 HydrophobicContact CG-CE2 4.05Å |
| 160 | L | 66.2 | Low | 59.8 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.2 | -35.8 | 175.4 | -81.3 | 174.7 | 0 | 0 | 0 | 112.9 | K109 L111 S156 F157 T158 F295 | K109-L160 HydrophobicContact CB-CD1 4.03Å; K109-L160 HydrophobicContact CD-CD1 4.04Å; K109-L160 HydrophobicContact CD-CD2 3.8Å; K109-L160 HydrophobicContact CD-CG 4.49Å; L111-L160 HydrophobicContact CD2-CD1 3.42Å; L111-L160 VanDerWaalsContact CD2-CD1 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.12Å; S156-L160 VanDerWaalsContact O-N 3.1Å; F157-L160 WeakPolarHBondContact O-CB 3.31Å; F157-L160 PolarHBondContact O-N 2.92Å; F157-L160 VanDerWaalsContact O-N 3.07Å; T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.45Å; L160-F295 HydrophobicContact CD1-CE1 4.31Å; L160-F295 HydrophobicContact CD1-CZ 4.46Å; L160-F295 HydrophobicContact CD2-CD1 3.47Å; L160-F295 VanDerWaalsContact CD2-CD1 3.47Å; L160-F295 HydrophobicContact CD2-CD2 4.3Å; L160-F295 HydrophobicContact CD2-CE1 3.38Å; L160-F295 HydrophobicContact CD2-CE2 4.23Å; L160-F295 HydrophobicContact CD2-CG 3.94Å; L160-F295 HydrophobicContact CD2-CZ 3.78Å; L160-F295 HydrophobicContact CG-CD1 4.38Å; L160-F295 HydrophobicContact CG-CE1 3.82Å; L160-F295 HydrophobicContact CG-CE2 4.32Å; L160-F295 HydrophobicContact CG-CZ 3.77Å |
| 161 | S | 65.2 | Low | 57.5 | Low | 34 Ų | 34 | 76.9 Ų | 76.9 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71.2 | -42.4 | 174.2 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | F157 T158 C163 S164 | F157-S161 PolarHBondContact O-N 2.99Å; F157-S161 PolarHBondContact O-OG 2.99Å; T158-S161 WeakPolarHBondContact CA-OG 3.36Å; T158-S161 PolarHBondContact O-N 3.41Å; T158-S161 PolarHBondContact O-OG 3.32Å; S161-C163 PolarHBondContact O-N 3.44Å; S161-S164 WeakPolarHBondContact O-CB 3.32Å; S161-S164 PolarHBondContact O-N 3.14Å; S161-S164 PolarHBondContact O-OG 3.47Å |
| 162 | D | 56.8 | Low | 55.1 | Low | 100 Ų | 100 | 82.4 Ų | 82.4 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.9 | -33.5 | -178.1 | -69.8 | -10.5 | 0 | 0 | 0 | 112.4 | T158 S164 L165 | T158-D162 WeakPolarHBondContact O-CB 3.46Å; T158-D162 PolarHBondContact O-N 3.4Å; D162-S164 PolarHBondContact O-N 2.86Å; D162-S164 VanDerWaalsContact O-N 3.14Å; D162-L165 CarbonylContact O-C 3.58Å; D162-L165 WeakPolarHBondContact O-CA 3.4Å; D162-L165 PolarHBondContact O-N 3.08Å |
| 163 | C | 49 | Very low | 53 | Low | 62 Ų | 62 | 85 Ų | 85 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.6 | 173.2 | -74.8 | 0 | 0 | 0 | 0 | 113.7 | Y159 S161 | Y159-C163 VanDerWaalsContact CE1-SG 3.55Å; Y159-C163 PolarHBondContact O-N 3.27Å; Y159-C163 VanDerWaalsContact O-N 3.09Å; Y159-C163 PolarHBondContact O-SG 3.18Å; S161-C163 PolarHBondContact O-N 3.44Å |
| 164 | S | 46 | Very low | 51 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -17.4 | 172.3 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | S161 D162 | S161-S164 WeakPolarHBondContact O-CB 3.32Å; S161-S164 PolarHBondContact O-N 3.14Å; S161-S164 PolarHBondContact O-OG 3.47Å; D162-S164 PolarHBondContact O-N 2.86Å; D162-S164 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 35.8 | Very low | 50.1 | Low | 129 Ų | 129 | 97.8 Ų | 97.8 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -109 | 68.9 | 178 | -69.1 | 161.9 | 0 | 0 | 0 | 109 | D162 S167 | D162-L165 CarbonylContact O-C 3.58Å; D162-L165 WeakPolarHBondContact O-CA 3.4Å; D162-L165 PolarHBondContact O-N 3.08Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 2.93Å |
| 166 | Q | 32.4 | Very low | 49.6 | Very low | 183 Ų | 183 | 98.6 Ų | 98.6 | 86% | 0.855 | 54% | 0.539 | S | S | * | . | trans | -65.8 | 83.5 | 176 | -74.4 | -171 | -8.5 | 0 | 0 | 112.1 | ||||
| 167 | S | 31 | Very low | 49.7 | Very low | 93 Ų | 93 | 101.5 Ų | 101.5 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | trans | -174.8 | 99.3 | 148.8 | 55.2 | 0 | 0 | 0 | 0 | 108.3 | L165 | L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 2.93Å | ||
| 168 | Y | 31.4 | Very low | 49.9 | Very low | 243 Ų | 243 | 103.6 Ų | 103.6 | 95% | 0.953 | 57% | 0.569 | S | S | * | * | trans | -177.4 | 132.5 | 141.1 | -94.7 | -67.1 | 0 | 0 | 0 | 108.7 | ||||
| 169 | G | 33.3 | Very low | 50.4 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | trans | -88.9 | 157.1 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 170 | N | 31.5 | Very low | 50.9 | Low | 164 Ų | 164 | 98.2 Ų | 98.2 | 88% | 0.877 | 54% | 0.54 | S | S | * | . | trans | 40.1 | 76 | 145 | -67.7 | -11.6 | 0 | 0 | 0 | 118.6 | ||||
| 171 | T | 32.5 | Very low | 51.7 | Low | 110 Ų | 110 | 97.5 Ų | 97.5 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | trans | -115 | 103.9 | 145.6 | 46.2 | 0 | 0 | 0 | 0 | 109.1 | S173 | T171-S173 PolarHBondContact O-N 2.95Å; T171-S173 VanDerWaalsContact O-N 3.14Å | ||
| 172 | T | 30.5 | Very low | 52.3 | Low | 143 Ų | 143 | 98.2 Ų | 98.2 | 88% | 0.877 | 53% | 0.534 | S | S | * | . | trans | -77.6 | 88.8 | 172.6 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 173 | S | 38.4 | Very low | 53.6 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | trans | -119.8 | 134.7 | 163.6 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | T171 Y175 | T171-S173 PolarHBondContact O-N 2.95Å; T171-S173 VanDerWaalsContact O-N 3.14Å; S173-Y175 WeakPolarHBondContact O-CD2 3.49Å; S173-Y175 VanDerWaalsContact O-CE2 3.3Å; S173-Y175 WeakPolarHBondContact O-CE2 3.48Å; S173-Y175 PolarHBondContact O-N 3.35Å; S173-Y175 VanDerWaalsContact O-N 3.08Å | ||
| 174 | Q | 42.2 | Very low | 55.1 | Low | 185 Ų | 185 | 90.9 Ų | 90.9 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | trans | -67.7 | 103.9 | 174.7 | -71.8 | 171 | -33.5 | 0 | 0 | 108.1 | T176 | Q174-T176 PolarHBondContact O-N 3.41Å; Q174-T176 VanDerWaalsContact O-N 3.13Å | ||
| 175 | Y | 60.2 | Low | 56.9 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | trans | -76.5 | 96.7 | 178.1 | -63.5 | -88.7 | 0 | 0 | 0 | 109.1 | S173 | S173-Y175 WeakPolarHBondContact O-CD2 3.49Å; S173-Y175 VanDerWaalsContact O-CE2 3.3Å; S173-Y175 WeakPolarHBondContact O-CE2 3.48Å; S173-Y175 PolarHBondContact O-N 3.35Å; S173-Y175 VanDerWaalsContact O-N 3.08Å | ||
| 176 | T | 67.2 | Low | 59.1 | Low | 86 Ų | 86 | 82 Ų | 82 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.9 | 165.8 | 56 | 0 | 0 | 0 | 0 | 108.6 | Q174 V285 V286 T287 | Q174-T176 PolarHBondContact O-N 3.41Å; Q174-T176 VanDerWaalsContact O-N 3.13Å; T176-V285 HydrophobicContact CG2-CG1 4.12Å; T176-V286 WeakPolarHBondContact CA-O 3.36Å; T176-T287 HydrophobicContact CG2-CG2 4.21Å |
| 177 | M | 80.3 | Confident | 61 | Low | 61 Ų | 61 | 76 Ų | 76 | 30% | 0.3 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 162.5 | 170.9 | -78.1 | -174.4 | 130.1 | 0 | 0 | 109.2 | V152 N155 V286 W288 | V152-M177 HydrophobicContact CB-SD 4.49Å; V152-M177 HydrophobicContact CG2-CB 3.76Å; V152-M177 HydrophobicContact CG2-CG 4.49Å; V152-M177 HydrophobicContact CG2-SD 3.92Å; N155-M177 HydrophobicContact CB-SD 4.13Å; N155-M177 WeakPolarHBondContact ND2-CE 3.42Å; N155-M177 PolarHBondContact ND2-SD 3.33Å; M177-V286 HydrophobicContact CB-CB 4.5Å; M177-V286 PolarHBondContact N-O 3.45Å; M177-V286 PolarHBondContact O-N 3.02Å; M177-W288 HydrophobicContact CB-CH2 4.02Å; M177-W288 HydrophobicContact CB-CZ3 4.02Å; M177-W288 HydrophobicContact CG-CH2 3.95Å; M177-W288 HydrophobicContact CG-CZ3 4.11Å; M177-W288 HydrophobicContact SD-CH2 3.88Å |
| 178 | T | 78.5 | Confident | 62.8 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.4 | -179.2 | 50.2 | 0 | 0 | 0 | 0 | 111 | L284 V285 | T178-L284 CarbonylContact C-O 3.6Å; T178-L284 WeakPolarHBondContact CA-O 3.34Å; T178-V285 HydrophobicContact CG2-CG2 4.37Å |
| 179 | I | 82.2 | Confident | 64.3 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.7 | 170.8 | -59.7 | 169.4 | 0 | 0 | 0 | 108.6 | L112 I114 F144 D148 V149 V152 L284 V286 | L112-I179 HydrophobicContact CD2-CD1 3.76Å; I114-I179 HydrophobicContact CD1-CD1 4.35Å; F144-I179 HydrophobicContact CB-CG2 4.23Å; F144-I179 HydrophobicContact CD1-CG2 4.1Å; D148-I179 HydrophobicContact CB-CB 4.43Å; D148-I179 HydrophobicContact CB-CG1 4.45Å; D148-I179 HydrophobicContact CB-CG2 4.26Å; V149-I179 HydrophobicContact CG2-CD1 4.22Å; V149-I179 HydrophobicContact CG2-CG2 3.86Å; V152-I179 HydrophobicContact CB-CD1 4.42Å; V152-I179 HydrophobicContact CG1-CD1 4.5Å; V152-I179 HydrophobicContact CG2-CD1 4.07Å; V152-I179 HydrophobicContact CG2-CG1 3.8Å; I179-L284 HydrophobicContact CB-CB 4.19Å; I179-L284 HydrophobicContact CB-CD1 4.46Å; I179-L284 PolarHBondContact N-O 2.79Å; I179-L284 WeakPolarHBondContact O-CB 3.44Å; I179-L284 PolarHBondContact O-N 3.28Å; I179-V286 HydrophobicContact CD1-CG2 3.58Å; I179-V286 HydrophobicContact CG1-CG2 3.78Å |
| 180 | R | 78.4 | Confident | 65.8 | Low | 54 Ų | 54 | 66.4 Ų | 66.4 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.4 | 174.9 | -65.6 | 169.9 | -72.2 | -173.6 | -0.6 | 109.9 | N145 D148 D221 | N145-R180 HydrophobicContact CB-CB 4.21Å; N145-R180 PolarHBondContact N-O 3.13Å; N145-R180 PolarHBondContact ND2-NH2 3.2Å; D148-R180 IonicContact OD1-CZ 2.78Å; D148-R180 IonicContact OD1-NE 3.35Å; D148-R180 PolarHBondContact OD1-NE 3.47Å; D148-R180 IonicContact OD1-NH2 3.58Å; D148-R180 PolarHBondContact OD1-NH2 2.76Å; D148-R180 WeakPolarHBondContact OD2-CB 3.37Å; D148-R180 VanDerWaalsContact OD2-CG 3.26Å; D148-R180 WeakPolarHBondContact OD2-CG 3.23Å; D148-R180 IonicContact OD2-CZ 2.82Å; D148-R180 PolarHBondContact OD2-N 2.94Å; D148-R180 IonicContact OD2-NE 3.64Å; D148-R180 PolarHBondContact OD2-NE 3.15Å; D148-R180 IonicContact OD2-NH2 3.78Å; R180-D221 PolarHBondContact NH1-O 3.14Å |
| 181 | Y | 83.1 | Confident | 67.6 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.9 | -178 | 80.7 | -60.5 | 0 | 0 | 0 | 111.9 | I142 Y143 E282 L284 C302 N303 L305 | I142-Y181 HydrophobicContact CG2-CD2 3.96Å; Y143-Y181 WeakPolarHBondContact O-CA 3.23Å; Y181-E282 PolarHBondContact N-O 2.87Å; Y181-L284 HydrophobicContact CD1-CB 4.43Å; Y181-L284 HydrophobicContact CD1-CD1 3.69Å; Y181-L284 HydrophobicContact CD1-CD2 4.15Å; Y181-L284 HydrophobicContact CD1-CG 3.41Å; Y181-L284 VanDerWaalsContact CD1-CG 3.41Å; Y181-L284 HydrophobicContact CD2-CD1 4.03Å; Y181-L284 HydrophobicContact CD2-CG 4.35Å; Y181-L284 HydrophobicContact CE1-CB 4.44Å; Y181-L284 HydrophobicContact CE1-CD1 4.07Å; Y181-L284 HydrophobicContact CE1-CD2 3.64Å; Y181-L284 HydrophobicContact CE1-CG 3.38Å; Y181-L284 HydrophobicContact CE2-CD1 4.35Å; Y181-L284 HydrophobicContact CE2-CD2 4.11Å; Y181-L284 HydrophobicContact CE2-CG 4.3Å; Y181-L284 HydrophobicContact CG-CD1 3.62Å; Y181-L284 HydrophobicContact CG-CG 3.89Å; Y181-C302 HydrophobicContact CE2-CB 4.04Å; Y181-N303 PolarHBondContact OH-N 2.92Å; Y181-N303 PolarHBondContact OH-O 2.95Å; Y181-L305 HydrophobicContact CE1-CD1 3.93Å; Y181-L305 HydrophobicContact CE2-CD1 4.03Å; Y181-L305 WeakPolarHBondContact OH-CD1 3.45Å |
| 182 | R | 78.6 | Confident | 69.1 | Low | 49 Ų | 49 | 56.9 Ų | 56.9 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.9 | 174.3 | -82 | 177.7 | 174.3 | -162.8 | 4.7 | 112.1 | I142 Y143 M224 E249 E282 | I142-R182 WeakPolarHBondContact CA-O 3.22Å; Y143-R182 HydrophobicContact CD1-CB 4.21Å; Y143-R182 HydrophobicContact CE1-CB 3.49Å; Y143-R182 VanDerWaalsContact CE1-CB 3.49Å; Y143-R182 HydrophobicContact CE2-CB 4.21Å; Y143-R182 PolarHBondContact N-O 3.49Å; Y143-R182 PolarHBondContact O-N 2.86Å; Y143-R182 VanDerWaalsContact O-N 3.14Å; Y143-R182 WeakPolarHBondContact OH-CD 3.42Å; R182-M224 HydrophobicContact CG-SD 4.15Å; R182-E249 IonicContact NH1-OE1 2.65Å; R182-E249 PolarHBondContact NH1-OE1 3.44Å; R182-E282 IonicContact CZ-OE2 3.84Å; R182-E282 IonicContact NE-OE1 3.75Å; R182-E282 IonicContact NE-OE2 2.77Å; R182-E282 PolarHBondContact NE-OE2 3.22Å; R182-E282 IonicContact NH2-OE2 2.97Å; R182-E282 PolarHBondContact NH2-OE2 3.07Å |
| 183 | L | 82.7 | Confident | 70.7 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 111.5 | -174.7 | -167 | 68 | 0 | 0 | 0 | 110.8 | F118 T140 I142 K307 I308 | F118-L183 HydrophobicContact CE1-CD1 4.44Å; F118-L183 HydrophobicContact CE1-CD2 4.42Å; F118-L183 HydrophobicContact CE2-CD1 3.75Å; F118-L183 HydrophobicContact CZ-CD1 3.55Å; F118-L183 HydrophobicContact CZ-CD2 3.66Å; F118-L183 HydrophobicContact CZ-CG 4.24Å; T140-L183 HydrophobicContact CG2-CD1 3.18Å; T140-L183 HydrophobicContact CG2-CD2 4.47Å; T140-L183 HydrophobicContact CG2-CG 3.72Å; I142-L183 HydrophobicContact CD1-CD1 4.19Å; I142-L183 HydrophobicContact CG1-CD1 3.55Å; L183-K307 HydrophobicContact CD2-CB 4.43Å; L183-K307 HydrophobicContact CD2-CD 4.24Å; L183-K307 HydrophobicContact CD2-CG 3.32Å; L183-K307 HydrophobicContact CG-CG 3.85Å; L183-I308 PolarHBondContact O-N 3.33Å |
| 184 | L | 81.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.7 | -179.1 | -57.1 | 179.9 | 0 | 0 | 0 | 110.7 | T140 I141 Y143 W233 L247 I308 L310 | T140-L184 CarbonylContact C-O 3.54Å; T140-L184 VanDerWaalsContact CA-O 3.27Å; T140-L184 WeakPolarHBondContact CA-O 3.39Å; T140-L184 WeakPolarHBondContact CG2-O 3.38Å; I141-L184 HydrophobicContact CB-CB 4.24Å; I141-L184 PolarHBondContact N-O 3.37Å; I141-L184 PolarHBondContact O-N 2.61Å; Y143-L184 HydrophobicContact CD1-CD1 3.81Å; Y143-L184 HydrophobicContact CD1-CG 4.05Å; Y143-L184 HydrophobicContact CE1-CD1 3.58Å; Y143-L184 HydrophobicContact CE1-CD2 4.03Å; Y143-L184 HydrophobicContact CE1-CG 3.69Å; L184-W233 HydrophobicContact CD1-CD2 3.99Å; L184-W233 VanDerWaalsContact CD1-CE2 3.46Å; L184-W233 HydrophobicContact CD1-CE3 4.33Å; L184-W233 HydrophobicContact CD1-CH2 3.71Å; L184-W233 HydrophobicContact CD1-CZ2 3.31Å; L184-W233 HydrophobicContact CD1-CZ3 4.21Å; L184-L247 HydrophobicContact CD2-CD1 3.43Å; L184-L247 VanDerWaalsContact CD2-CD1 3.43Å; L184-I308 CarbonylContact C-O 3.59Å; L184-I308 WeakPolarHBondContact CA-O 3.22Å; L184-I308 HydrophobicContact CD2-CB 4.21Å; L184-L310 HydrophobicContact CB-CD1 4.17Å; L184-L310 HydrophobicContact CB-CG 4.21Å; L184-L310 HydrophobicContact CD1-CD1 4.47Å; L184-L310 HydrophobicContact CD1-CD2 4.25Å |
| 185 | T | 83.7 | Confident | 73.7 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129 | 173.9 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | K307 I308 L310 | T185-K307 VanDerWaalsContact OG1-CB 3.23Å; T185-K307 WeakPolarHBondContact OG1-CB 3.43Å; T185-K307 WeakPolarHBondContact OG1-CD 3.46Å; T185-K307 WeakPolarHBondContact OG1-CG 3.47Å; T185-I308 PolarHBondContact N-O 3.31Å; T185-L310 WeakPolarHBondContact O-CB 3.5Å; T185-L310 PolarHBondContact O-N 3.11Å |
| 186 | I | 80.5 | Confident | 73.9 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | trans | -80.2 | 128.4 | 177.7 | -53.4 | 166.9 | 0 | 0 | 0 | 107.8 | L136 T139 I141 T188 T235 | L136-I186 HydrophobicContact CD1-CD1 3.69Å; T139-I186 PolarHBondContact O-N 2.88Å; I141-I186 HydrophobicContact CD1-CD1 4.1Å; I141-I186 HydrophobicContact CD1-CG1 4.07Å; I141-I186 HydrophobicContact CG1-CD1 3.96Å; I141-I186 HydrophobicContact CG1-CG1 4.12Å; I186-T188 HydrophobicContact CG2-CG2 4.08Å; I186-T188 VanDerWaalsContact CG2-OG1 3.31Å; I186-T188 WeakPolarHBondContact CG2-OG1 3.49Å; I186-T188 PolarHBondContact O-N 3.01Å; I186-T235 HydrophobicContact CD1-CG2 3.87Å; I186-T235 HydrophobicContact CG1-CG2 4.25Å; I186-T235 HydrophobicContact CG2-CG2 4.29Å | ||
| 187 | P | 72.5 | Confident | 73.8 | Confident | 57 Ų | 57 | 36.6 Ų | 36.6 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -79.5 | 47.5 | -174.4 | 34.5 | -40.2 | 0 | 0 | 0 | 112.7 | L310 L312 | P187-L310 WeakPolarHBondContact CB-O 3.42Å; P187-L310 WeakPolarHBondContact CD-O 3.08Å; P187-L310 VanDerWaalsContact CG-O 3.22Å; P187-L310 WeakPolarHBondContact CG-O 3.41Å; P187-L312 HydrophobicContact CG-CB 3.95Å |
| 188 | T | 69.3 | Low | 72.6 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | trans | -140.6 | 139.5 | -173 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | I186 G190 P240 | I186-T188 HydrophobicContact CG2-CG2 4.08Å; I186-T188 VanDerWaalsContact CG2-OG1 3.31Å; I186-T188 WeakPolarHBondContact CG2-OG1 3.49Å; I186-T188 PolarHBondContact O-N 3.01Å; T188-G190 VanDerWaalsContact C-N 3.34Å; T188-P240 HydrophobicContact CG2-CG 3.85Å | ||
| 189 | D | 63.6 | Low | 71.6 | Confident | 168 Ų | 168 | 32.2 Ų | 32.2 | 90% | 0.898 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -77.2 | -19 | 179 | -64.4 | -29.1 | 0 | 0 | 0 | 113.4 | ||
| 190 | G | 65 | Low | 70 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -83.8 | 158 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T188 S192 N239 | T188-G190 VanDerWaalsContact C-N 3.34Å; G190-S192 PolarHBondContact O-N 3.28Å; G190-N239 WeakPolarHBondContact CA-O 2.96Å; G190-N239 PolarHBondContact N-O 3Å; G190-N239 VanDerWaalsContact N-O 3.13Å |
| 191 | E | 68.2 | Low | 68.4 | Low | 70 Ų | 70 | 41.4 Ų | 41.4 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 116 | 174.2 | -57.5 | -161.4 | 164.4 | 0 | 0 | 110.3 | R122 K138 G237 | R122-E191 IonicContact CZ-OE2 3.96Å; R122-E191 IonicContact NH1-OE2 3.81Å; R122-E191 IonicContact NH2-OE2 3.96Å; R122-E191 PolarHBondContact NH2-OE2 3.42Å; K138-E191 WeakPolarHBondContact CE-OE1 3.36Å; K138-E191 HydrophobicContact CG-CG 4.21Å; K138-E191 IonicContact NZ-OE1 2.71Å; K138-E191 PolarHBondContact NZ-OE1 3.48Å; E191-G237 WeakPolarHBondContact O-CA 3.47Å |
| 192 | S | 64.3 | Low | 66.5 | Low | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.1 | 166.6 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | K138 G190 | K138-S192 PolarHBondContact O-OG 3.38Å; G190-S192 PolarHBondContact O-N 3.28Å |
| 193 | R | 65.1 | Low | 64.6 | Low | 113 Ų | 113 | 50.5 Ų | 50.5 | 43% | 0.426 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -24.5 | 175.1 | -72.5 | -174.1 | 177.4 | 173 | -4.9 | 112.1 | A236 I323 | R193-A236 PolarHBondContact N-O 2.81Å; R193-I323 HydrophobicContact CB-CG2 3.79Å; R193-I323 HydrophobicContact CG-CG2 4.29Å; R193-I323 PolarHBondContact NH1-O 3.35Å |
| 194 | Y | 70.4 | Confident | 62.5 | Low | 29 Ų | 29 | 51.6 Ų | 51.6 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.1 | -175.6 | -167.8 | -91.5 | 0 | 0 | 0 | 110.5 | H125 T235 A236 V328 I330 | H125-Y194 AromaticContact CE1-CE2 3.64Å; H125-Y194 AromaticContact CE1-CZ 3.88Å; H125-Y194 AromaticContact NE2-CD2 3.86Å; H125-Y194 AromaticContact NE2-CE2 3.22Å; H125-Y194 WeakPolarHBondContact NE2-CE2 3.3Å; H125-Y194 AromaticContact NE2-CZ 3.53Å; Y194-T235 WeakPolarHBondContact O-CA 3.11Å; Y194-A236 PolarHBondContact N-O 2.87Å; Y194-A236 VanDerWaalsContact N-O 3.1Å; Y194-A236 PolarHBondContact O-N 3.42Å; Y194-V328 HydrophobicContact CD1-CB 3.67Å; Y194-V328 HydrophobicContact CD1-CG1 4.3Å; Y194-V328 HydrophobicContact CD1-CG2 3.45Å; Y194-V328 VanDerWaalsContact CD1-CG2 3.45Å; Y194-V328 HydrophobicContact CD2-CB 4.23Å; Y194-V328 HydrophobicContact CD2-CG2 4.21Å; Y194-V328 HydrophobicContact CE1-CB 3.54Å; Y194-V328 HydrophobicContact CE1-CG1 3.95Å; Y194-V328 HydrophobicContact CE1-CG2 3.9Å; Y194-V328 HydrophobicContact CE2-CB 4.1Å; Y194-V328 HydrophobicContact CG-CB 4.01Å; Y194-V328 HydrophobicContact CG-CG2 3.62Å; Y194-I330 HydrophobicContact CE1-CD1 4.08Å; Y194-I330 HydrophobicContact CE1-CG1 4.33Å; Y194-I330 WeakPolarHBondContact OH-CD1 3.31Å; Y194-I330 VanDerWaalsContact OH-CG1 3.3Å; Y194-I330 WeakPolarHBondContact OH-CG1 3.41Å |
| 195 | F | 72.6 | Confident | 60.5 | Low | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.3 | 168.9 | 81.4 | -68.6 | 0 | 0 | 0 | 111.2 | S123 H125 C134 L136 I141 W233 I234 T235 | S123-F195 VanDerWaalsContact OG-CD1 3.24Å; S123-F195 WeakPolarHBondContact OG-CD1 3.31Å; S123-F195 VanDerWaalsContact OG-CE1 3.3Å; S123-F195 WeakPolarHBondContact OG-CE1 3.45Å; H125-F195 HydrophobicContact CB-CE1 4.42Å; H125-F195 HydrophobicContact CB-CZ 4.02Å; H125-F195 AromaticContact CD2-CD1 3.94Å; H125-F195 AromaticContact CD2-CE1 3.6Å; H125-F195 PolarHBondContact CD2-O 3.09Å; C134-F195 HydrophobicContact CB-CE2 3.3Å; C134-F195 HydrophobicContact CB-CZ 3.28Å; C134-F195 WeakPolarHBondContact O-CZ 2.89Å; L136-F195 HydrophobicContact CB-CD1 3.24Å; L136-F195 HydrophobicContact CB-CE1 3.45Å; L136-F195 VanDerWaalsContact CB-CE1 3.45Å; L136-F195 HydrophobicContact CB-CG 4.13Å; L136-F195 HydrophobicContact CD1-CB 4.41Å; L136-F195 HydrophobicContact CD1-CD1 4.34Å; L136-F195 HydrophobicContact CD1-CG 4.5Å; L136-F195 HydrophobicContact CD2-CB 4.18Å; L136-F195 HydrophobicContact CD2-CD1 3.82Å; L136-F195 HydrophobicContact CD2-CG 4.41Å; L136-F195 HydrophobicContact CG-CD1 3.98Å; I141-F195 HydrophobicContact CD1-CB 4.41Å; I141-F195 HydrophobicContact CD1-CD2 4.13Å; I141-F195 HydrophobicContact CD1-CG 4.38Å; I141-F195 HydrophobicContact CG2-CD2 4.4Å; I141-F195 HydrophobicContact CG2-CE2 4.18Å; F195-W233 HydrophobicContact CD2-CE3 4.39Å; F195-W233 HydrophobicContact CD2-CZ3 4.34Å; F195-W233 HydrophobicContact CE2-CZ3 4.24Å; F195-I234 CarbonylContact C-O 3.51Å; F195-I234 WeakPolarHBondContact CA-O 3.46Å; F195-T235 HydrophobicContact CB-CG2 3.95Å |
| 196 | S | 64.3 | Low | 58.5 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.6 | 172 | 177.9 | 0 | 0 | 0 | 0 | 109 | I234 I330 | S196-I234 PolarHBondContact N-O 3.48Å; S196-I234 PolarHBondContact O-N 3.11Å; S196-I330 WeakPolarHBondContact OG-CD1 3.28Å |
| 197 | C | 64.1 | Low | 56.8 | Low | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.2 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | T127 W233 | T127-C197 HydrophobicContact CG2-CB 4.38Å; C197-W233 HydrophobicContact CB-CE3 4.13Å; C197-W233 HydrophobicContact CB-CZ3 4.1Å |
| 198 | L | 56.7 | Low | 55.4 | Low | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.8 | 179.3 | 173.9 | 66.9 | 0 | 0 | 0 | 110 | R232 H334 A351 | L198-R232 PolarHBondContact N-O 2.86Å; L198-R232 PolarHBondContact O-N 2.88Å; L198-H334 HydrophobicContact CD1-CB 3.98Å; L198-H334 WeakPolarHBondContact CD1-O 3.31Å; L198-A351 HydrophobicContact CD2-CB 3.61Å |
| 199 | S | 57.5 | Low | 54.1 | Low | 34 Ų | 34 | 67.8 Ų | 67.8 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124 | 164.7 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | S128 Y201 | S128-S199 PolarHBondContact OG-N 3.42Å; S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 3.4Å; S199-Y201 PolarHBondContact OG-O 3.13Å |
| 200 | K | 48.8 | Very low | 53.1 | Low | 93 Ų | 93 | 62 Ų | 62 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.2 | -26.1 | -176.9 | -88.5 | -170.3 | 173.9 | -178.8 | 0 | 114.5 | Q230 E354 | K200-Q230 PolarHBondContact N-O 3.18Å; K200-E354 VanDerWaalsContact CE-OE1 3.3Å; K200-E354 WeakPolarHBondContact CE-OE1 3.49Å; K200-E354 IonicContact NZ-OE1 3.69Å; K200-E354 PolarHBondContact NZ-OE1 3.18Å |
| 201 | Y | 43.9 | Very low | 52.1 | Low | 154 Ų | 154 | 66.5 Ų | 66.5 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -114.7 | 119.8 | -178.4 | -70.9 | -81.4 | 0 | 0 | 0 | 109.5 | S199 V203 Q230 | S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 3.4Å; S199-Y201 PolarHBondContact OG-O 3.13Å; Y201-V203 PolarHBondContact O-N 3.26Å; Y201-Q230 HydrophobicContact CD2-CG 4.37Å |
| 202 | Q | 42 | Very low | 50.9 | Low | 176 Ų | 176 | 68.7 Ų | 68.7 | 82% | 0.822 | 33% | 0.333 | S | S | * | . | trans | -53.1 | 126.5 | 153.3 | -90.2 | -179.4 | -20.8 | 0 | 0 | 106.5 | G204 | Q202-G204 PolarHBondContact O-N 3.49Š| ||
| 203 | V | 39.9 | Very low | 49.8 | Very low | 68 Ų | 68 | 76.7 Ų | 76.7 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | trans | -46.2 | 104.2 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | Y201 D207 | Y201-V203 PolarHBondContact O-N 3.26Å; V203-D207 HydrophobicContact CG1-CB 3.74Å | ||
| 204 | G | 38.4 | Very low | 48.9 | Very low | 30 Ų | 30 | 73.2 Ų | 73.2 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | trans | -65.5 | 159 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q202 F206 D207 S208 | Q202-G204 PolarHBondContact O-N 3.49Å; G204-F206 PolarHBondContact O-N 3.47Å; G204-F206 VanDerWaalsContact O-N 3.08Å; G204-D207 PolarHBondContact N-OD2 2.64Å; G204-D207 WeakPolarHBondContact O-CA 3.34Å; G204-D207 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-N 3.17Å | ||
| 205 | I | 38.8 | Very low | 47.6 | Very low | 142 Ų | 142 | 74.5 Ų | 74.5 | 73% | 0.728 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -51 | -37.4 | 174.3 | -66.8 | 166.1 | 0 | 0 | 0 | 110.4 | S208 L209 | I205-S208 PolarHBondContact O-N 3.07Å; I205-L209 HydrophobicContact CG2-CD1 3.75Å; I205-L209 HydrophobicContact CG2-CG 4.15Å; I205-L209 VanDerWaalsContact O-CB 3.31Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.36Å; I205-L209 PolarHBondContact O-N 3.03Å |
| 206 | F | 42.1 | Very low | 46 | Very low | 147 Ų | 147 | 81 Ų | 81 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 174.2 | -173.1 | -97.1 | 0 | 0 | 0 | 113.1 | G204 S208 L209 V210 | G204-F206 PolarHBondContact O-N 3.47Å; G204-F206 VanDerWaalsContact O-N 3.08Å; F206-S208 VanDerWaalsContact C-N 3.33Å; F206-S208 PolarHBondContact O-N 3.33Å; F206-L209 PolarHBondContact O-N 2.91Å; F206-V210 HydrophobicContact CD1-CG2 4.1Å; F206-V210 HydrophobicContact CE1-CG2 3.73Å; F206-V210 HydrophobicContact CE2-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 3.95Å; F206-V210 WeakPolarHBondContact O-CG2 3.45Å; F206-V210 PolarHBondContact O-N 3.21Å |
| 207 | D | 44.5 | Very low | 44.8 | Very low | 49 Ų | 49 | 85.8 Ų | 85.8 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.8 | -35.3 | 176.4 | -63.1 | -42.4 | 0 | 0 | 0 | 111.8 | V203 G204 R211 | V203-D207 HydrophobicContact CG1-CB 3.74Å; G204-D207 PolarHBondContact N-OD2 2.64Å; G204-D207 WeakPolarHBondContact O-CA 3.34Å; G204-D207 PolarHBondContact O-N 3.31Å; D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 PolarHBondContact O-N 3.2Å |
| 208 | S | 44.5 | Very low | 43.5 | Very low | 46 Ų | 46 | 94.2 Ų | 94.2 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 112 | G204 I205 F206 R211 K212 | G204-S208 PolarHBondContact O-N 3.17Å; I205-S208 PolarHBondContact O-N 3.07Å; F206-S208 VanDerWaalsContact C-N 3.33Å; F206-S208 PolarHBondContact O-N 3.33Å; S208-R211 WeakPolarHBondContact O-CB 3.09Å; S208-R211 PolarHBondContact O-N 3.45Å; S208-K212 WeakPolarHBondContact O-CB 3.3Å; S208-K212 WeakPolarHBondContact O-CG 3.41Å; S208-K212 PolarHBondContact O-N 2.74Å |
| 209 | L | 41.7 | Very low | 42.5 | Very low | 73 Ų | 73 | 96.8 Ų | 96.8 | 38% | 0.382 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 175.8 | -74.5 | 167.7 | 0 | 0 | 0 | 110.6 | I205 F206 R211 K212 F213 | I205-L209 HydrophobicContact CG2-CD1 3.75Å; I205-L209 HydrophobicContact CG2-CG 4.15Å; I205-L209 VanDerWaalsContact O-CB 3.31Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.36Å; I205-L209 PolarHBondContact O-N 3.03Å; F206-L209 PolarHBondContact O-N 2.91Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 3Å; L209-K212 PolarHBondContact O-N 3.17Å; L209-F213 HydrophobicContact CB-CD2 4.24Å; L209-F213 HydrophobicContact CD2-CD2 3.87Å; L209-F213 HydrophobicContact CD2-CE2 3.51Å; L209-F213 VanDerWaalsContact O-CB 3.27Å; L209-F213 WeakPolarHBondContact O-CB 3.3Å; L209-F213 WeakPolarHBondContact O-CD2 3.42Å; L209-F213 PolarHBondContact O-N 3.41Å |
| 210 | V | 43.2 | Very low | 41.5 | Very low | 47 Ų | 47 | 106.4 Ų | 106.4 | 29% | 0.285 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | F206 A214 F215 | F206-V210 HydrophobicContact CD1-CG2 4.1Å; F206-V210 HydrophobicContact CE1-CG2 3.73Å; F206-V210 HydrophobicContact CE2-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 3.95Å; F206-V210 WeakPolarHBondContact O-CG2 3.45Å; F206-V210 PolarHBondContact O-N 3.21Å; V210-A214 WeakPolarHBondContact O-CB 3.4Å; V210-A214 PolarHBondContact O-N 2.75Å; V210-F215 HydrophobicContact CG1-CE2 4.09Å; V210-F215 VanDerWaalsContact O-CD2 3.27Å; V210-F215 WeakPolarHBondContact O-CD2 3.5Å |
| 211 | R | 43.6 | Very low | 41 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 40% | 0.396 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.7 | -51.7 | 170.6 | -99.9 | -178.4 | -140.3 | 179.7 | -3.9 | 112.9 | E131 D207 S208 L209 F215 | E131-R211 IonicContact OE1-NH1 2.66Å; D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 PolarHBondContact O-N 3.2Å; S208-R211 WeakPolarHBondContact O-CB 3.09Å; S208-R211 PolarHBondContact O-N 3.45Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 3Å; R211-F215 VanDerWaalsContact O-CB 3.31Å; R211-F215 WeakPolarHBondContact O-CB 3.45Å; R211-F215 WeakPolarHBondContact O-CD2 3.48Å; R211-F215 PolarHBondContact O-N 2.95Å |
| 212 | K | 42 | Very low | 40.7 | Very low | 116 Ų | 116 | 102.3 Ų | 102.3 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -52.8 | -178.2 | -81.4 | -176.3 | 169.2 | -179.3 | 0 | 112.5 | S208 L209 E216 | S208-K212 WeakPolarHBondContact O-CB 3.3Å; S208-K212 WeakPolarHBondContact O-CG 3.41Å; S208-K212 PolarHBondContact O-N 2.74Å; L209-K212 PolarHBondContact O-N 3.17Å; K212-E216 WeakPolarHBondContact O-CB 3.34Å; K212-E216 PolarHBondContact O-N 3.49Å |
| 213 | F | 40.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 96.6 Ų | 96.6 | 75% | 0.754 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76.3 | -31.1 | -172 | -79.1 | -76.3 | 0 | 0 | 0 | 113.7 | L209 | L209-F213 HydrophobicContact CB-CD2 4.24Å; L209-F213 HydrophobicContact CD2-CD2 3.87Å; L209-F213 HydrophobicContact CD2-CE2 3.51Å; L209-F213 VanDerWaalsContact O-CB 3.27Å; L209-F213 WeakPolarHBondContact O-CB 3.3Å; L209-F213 WeakPolarHBondContact O-CD2 3.42Å; L209-F213 PolarHBondContact O-N 3.41Å |
| 214 | A | 46.9 | Very low | 41 | Very low | 40 Ų | 40 | 95.2 Ų | 95.2 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -94.7 | -21 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | V210 | V210-A214 WeakPolarHBondContact O-CB 3.4Å; V210-A214 PolarHBondContact O-N 2.75Å |
| 215 | F | 43.7 | Very low | 41.4 | Very low | 56 Ų | 56 | 96.7 Ų | 96.7 | 25% | 0.246 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -122.8 | -17.3 | -168.4 | -53.6 | -81.6 | 0 | 0 | 0 | 116.5 | V210 R211 K223 A269 | V210-F215 HydrophobicContact CG1-CE2 4.09Å; V210-F215 VanDerWaalsContact O-CD2 3.27Å; V210-F215 WeakPolarHBondContact O-CD2 3.5Å; R211-F215 VanDerWaalsContact O-CB 3.31Å; R211-F215 WeakPolarHBondContact O-CB 3.45Å; R211-F215 WeakPolarHBondContact O-CD2 3.48Å; R211-F215 PolarHBondContact O-N 2.95Å; F215-K223 HydrophobicContact CD1-CD 4.29Å; F215-K223 HydrophobicContact CE1-CD 3.48Å; F215-K223 VanDerWaalsContact CE1-CD 3.48Å; F215-K223 HydrophobicContact CZ-CD 4.03Å; F215-A269 HydrophobicContact CE1-CB 4.43Å |
| 216 | E | 39.6 | Very low | 41.7 | Very low | 137 Ų | 137 | 91.6 Ų | 91.6 | 64% | 0.64 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -30.3 | -174.9 | -87.9 | -178 | 155.9 | 0 | 0 | 114.7 | K212 | K212-E216 WeakPolarHBondContact O-CB 3.34Å; K212-E216 PolarHBondContact O-N 3.49Å |
| 217 | S | 38.9 | Very low | 42 | Very low | 108 Ų | 108 | 86.1 Ų | 86.1 | 76% | 0.755 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -34.9 | -161.9 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 218 | Q | 35.9 | Very low | 42.1 | Very low | 182 Ų | 182 | 84.6 Ų | 84.6 | 85% | 0.85 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.1 | 5.3 | -178.2 | -68.3 | -170 | -12.2 | 0 | 0 | 116.3 | ||
| 219 | L | 35.7 | Very low | 42.4 | Very low | 57 Ų | 57 | 86.4 Ų | 86.4 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | trans | -123.3 | 37.2 | -165.9 | -68 | 166.5 | 0 | 0 | 0 | 114.1 | D221 D222 A269 | L219-D221 PolarHBondContact O-N 3.03Å; L219-D222 PolarHBondContact O-N 2.94Å; L219-A269 HydrophobicContact CD1-CB 4.45Å; L219-A269 WeakPolarHBondContact CD1-O 3.19Å | ||
| 220 | R | 36.7 | Very low | 43.1 | Very low | 237 Ų | 237 | 84.8 Ų | 84.8 | 89% | 0.894 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.4 | 171.9 | -84.2 | -167.5 | -172.2 | -170.8 | 3.4 | 113.5 | D222 | R220-D222 VanDerWaalsContact C-N 3.34Š|
| 221 | D | 37.8 | Very low | 44.2 | Very low | 129 Ų | 129 | 82.9 Ų | 82.9 | 69% | 0.69 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.3 | 179.7 | -68.1 | -17.9 | 0 | 0 | 0 | 113.4 | R180 L219 | R180-D221 PolarHBondContact NH1-O 3.14Å; L219-D221 PolarHBondContact O-N 3.03Å |
| 222 | D | 37.5 | Very low | 45.7 | Very low | 31 Ų | 31 | 78.9 Ų | 78.9 | 17% | 0.166 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -106 | 95.4 | -176.2 | -80.3 | -25.1 | 0 | 0 | 0 | 111.5 | L219 R220 Y276 | L219-D222 PolarHBondContact O-N 2.94Å; R220-D222 VanDerWaalsContact C-N 3.34Å; D222-Y276 PolarHBondContact OD1-OH 2.79Å |
| 223 | K | 45 | Very low | 47.6 | Very low | 56 Ų | 56 | 73.8 Ų | 73.8 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | 147.8 | 137.2 | 129.6 | -78.1 | 168.5 | -160.8 | -149.5 | 0 | 113.7 | F215 C225 E265 | F215-K223 HydrophobicContact CD1-CD 4.29Å; F215-K223 HydrophobicContact CE1-CD 3.48Å; F215-K223 VanDerWaalsContact CE1-CD 3.48Å; F215-K223 HydrophobicContact CZ-CD 4.03Å; K223-C225 PolarHBondContact O-N 3.44Å; K223-E265 WeakPolarHBondContact CE-OE2 3.36Å; K223-E265 PolarHBondContact NZ-O 3.4Å; K223-E265 VanDerWaalsContact NZ-O 3.1Å; K223-E265 IonicContact NZ-OE2 3.88Å; K223-E265 PolarHBondContact NZ-OE2 3.4Å | |||
| 224 | M | 43.3 | Very low | 49.6 | Very low | 39 Ų | 39 | 65.8 Ų | 65.8 | 19% | 0.192 | 34% | 0.335 | C | S | . | . | trans | -63.7 | 115.8 | 151.2 | -78.6 | -175.5 | 124.6 | 0 | 0 | 107.9 | Y143 N145 R182 I226 | Y143-M224 HydrophobicContact CD2-CE 3.46Å; Y143-M224 VanDerWaalsContact CD2-CE 3.46Å; Y143-M224 HydrophobicContact CD2-SD 4.46Å; Y143-M224 HydrophobicContact CE2-CE 3.28Å; Y143-M224 HydrophobicContact CE2-SD 3.69Å; N145-M224 HydrophobicContact CB-CE 4.47Å; R182-M224 HydrophobicContact CG-SD 4.15Å; M224-I226 PolarHBondContact O-N 3.17Å | ||
| 225 | C | 47 | Very low | 51.5 | Low | 61 Ų | 61 | 64 Ų | 64 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -70.6 | 8.2 | -164.3 | -75.8 | 0 | 0 | 0 | 0 | 117.6 | E131 K223 | E131-C225 VanDerWaalsContact CD-CB 3.47Å; E131-C225 HydrophobicContact CG-CB 4.48Å; E131-C225 WeakPolarHBondContact OE2-CB 3.24Å; K223-C225 PolarHBondContact O-N 3.44Å |
| 226 | I | 44.5 | Very low | 53.4 | Low | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.185 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -113.3 | 119.6 | -178.5 | -51.3 | 172.2 | 0 | 0 | 0 | 111.1 | T127 N132 M224 P228 T231 | T127-I226 HydrophobicContact CG2-CD1 3.91Å; N132-I226 WeakPolarHBondContact ND2-CD1 3.42Å; M224-I226 PolarHBondContact O-N 3.17Å; I226-P228 VanDerWaalsContact O-CD 3.29Å; I226-P228 WeakPolarHBondContact O-CD 3.19Å; I226-T231 HydrophobicContact CB-CG2 4.44Å; I226-T231 HydrophobicContact CG2-CG2 3.12Å |
| 227 | S | 49 | Very low | 55.3 | Low | 31 Ų | 31 | 55.1 Ų | 55.1 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | trans | -66.5 | 119 | 169.9 | 82.6 | 0 | 0 | 0 | 0 | 108.5 | I229 Q230 | S227-I229 PolarHBondContact O-N 2.93Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 WeakPolarHBondContact OG-CB 3.36Å; S227-Q230 WeakPolarHBondContact OG-CG 3.36Å; S227-Q230 PolarHBondContact OG-OE1 3.27Å | ||
| 228 | P | 47.9 | Very low | 57 | Low | 17 Ų | 17 | 52.2 Ų | 52.2 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.8 | -169.2 | -21.2 | 29.8 | 0 | 0 | 0 | 114.6 | I226 Q230 T231 L247 | I226-P228 VanDerWaalsContact O-CD 3.29Å; I226-P228 WeakPolarHBondContact O-CD 3.19Å; P228-Q230 VanDerWaalsContact C-N 3.32Å; P228-T231 PolarHBondContact O-OG1 3.04Å; P228-L247 HydrophobicContact CB-CB 3.66Å; P228-L247 HydrophobicContact CB-CD2 3.27Å; P228-L247 HydrophobicContact CB-CG 4.02Å; P228-L247 HydrophobicContact CG-CD2 3.9Å |
| 229 | I | 49.3 | Very low | 58.9 | Low | 84 Ų | 84 | 47.2 Ų | 47.2 | 43% | 0.431 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.4 | -179.6 | -60.6 | 167.1 | 0 | 0 | 0 | 111.4 | S227 | S227-I229 PolarHBondContact O-N 2.93Š|
| 230 | Q | 57.4 | Low | 61 | Low | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13 | -177.5 | -68.4 | 174.4 | -19.4 | 0 | 0 | 113.4 | K200 Y201 S227 P228 | K200-Q230 PolarHBondContact N-O 3.18Å; Y201-Q230 HydrophobicContact CD2-CG 4.37Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 WeakPolarHBondContact OG-CB 3.36Å; S227-Q230 WeakPolarHBondContact OG-CG 3.36Å; S227-Q230 PolarHBondContact OG-OE1 3.27Å; P228-Q230 VanDerWaalsContact C-N 3.32Å |
| 231 | T | 65.4 | Low | 63.2 | Low | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.1 | 178.1 | 42.9 | 0 | 0 | 0 | 0 | 113.5 | I226 P228 W233 | I226-T231 HydrophobicContact CB-CG2 4.44Å; I226-T231 HydrophobicContact CG2-CG2 3.12Å; P228-T231 PolarHBondContact O-OG1 3.04Å; T231-W233 PolarHBondContact OG1-NE1 2.76Å |
| 232 | R | 75.5 | Confident | 65.6 | Low | 22 Ų | 22 | 28.1 Ų | 28.1 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.3 | 166.6 | -156.5 | 54 | 145.2 | -163.7 | -16.2 | 109.6 | L198 F244 S245 F246 S313 E354 | L198-R232 PolarHBondContact N-O 2.86Å; L198-R232 PolarHBondContact O-N 2.88Å; R232-F244 HydrophobicContact CG-CB 4.39Å; R232-S245 WeakPolarHBondContact CD-O 3.32Å; R232-F246 VanDerWaalsContact NH1-CB 3.3Å; R232-F246 VanDerWaalsContact NH1-CG 3.33Å; R232-S313 PolarHBondContact NE-OG 3.49Å; R232-S313 PolarHBondContact NH1-OG 2.73Å; R232-S313 PolarHBondContact NH2-OG 3.46Å; R232-E354 IonicContact CZ-OE1 2.77Å; R232-E354 IonicContact CZ-OE2 2.78Å; R232-E354 IonicContact NE-OE1 2.99Å; R232-E354 PolarHBondContact NE-OE1 3.3Å; R232-E354 IonicContact NE-OE2 2.81Å; R232-E354 PolarHBondContact NE-OE2 3.48Å; R232-E354 IonicContact NH2-OE1 3.87Å; R232-E354 PolarHBondContact NH2-OE1 3.05Å; R232-E354 IonicContact NH2-OE2 3.89Å; R232-E354 PolarHBondContact NH2-OE2 3.3Å |
| 233 | W | 82.1 | Confident | 67.8 | Low | 8 Ų | 8 | 26.7 Ų | 26.7 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.7 | 173.6 | -64.4 | 86.3 | 0 | 0 | 0 | 108.6 | I141 Y143 L184 F195 C197 T231 F244 S245 L310 | I141-W233 HydrophobicContact CD1-CE3 3.78Å; I141-W233 HydrophobicContact CD1-CZ3 4.24Å; I141-W233 HydrophobicContact CG2-CE3 4.36Å; I141-W233 HydrophobicContact CG2-CH2 4.36Å; I141-W233 HydrophobicContact CG2-CZ3 3.73Å; Y143-W233 AromaticContact CD1-CH2 3.96Å; Y143-W233 HydrophobicContact CD1-CH2 3.96Å; Y143-W233 HydrophobicContact CD1-CZ2 4.24Å; Y143-W233 HydrophobicContact CE1-CZ2 4.33Å; Y143-W233 HydrophobicContact CG-CH2 4.27Å; L184-W233 HydrophobicContact CD1-CD2 3.99Å; L184-W233 VanDerWaalsContact CD1-CE2 3.46Å; L184-W233 HydrophobicContact CD1-CE3 4.33Å; L184-W233 HydrophobicContact CD1-CH2 3.71Å; L184-W233 HydrophobicContact CD1-CZ2 3.31Å; L184-W233 HydrophobicContact CD1-CZ3 4.21Å; F195-W233 HydrophobicContact CD2-CE3 4.39Å; F195-W233 HydrophobicContact CD2-CZ3 4.34Å; F195-W233 HydrophobicContact CE2-CZ3 4.24Å; C197-W233 HydrophobicContact CB-CE3 4.13Å; C197-W233 HydrophobicContact CB-CZ3 4.1Å; T231-W233 PolarHBondContact OG1-NE1 2.76Å; W233-F244 CarbonylContact O-C 3.04Å; W233-S245 PolarHBondContact N-O 3.21Å; W233-S245 PolarHBondContact O-N 3.34Å; W233-L310 HydrophobicContact CB-CD1 4.09Å; W233-L310 HydrophobicContact CG-CD1 4.11Å; W233-L310 HydrophobicContact CG-CD2 4.1Å |
| 234 | I | 83.6 | Confident | 69.8 | Low | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.6 | -179.1 | -51 | 178.2 | 0 | 0 | 0 | 107 | F195 S196 I242 S243 F244 L337 A351 | F195-I234 CarbonylContact C-O 3.51Å; F195-I234 WeakPolarHBondContact CA-O 3.46Å; S196-I234 PolarHBondContact N-O 3.48Å; S196-I234 PolarHBondContact O-N 3.11Å; I234-I242 HydrophobicContact CG2-CD1 3.98Å; I234-I242 HydrophobicContact CG2-CG1 3.95Å; I234-S243 CarbonylContact C-O 3.3Å; I234-S243 WeakPolarHBondContact CA-O 3.45Å; I234-F244 HydrophobicContact CB-CD1 4.46Å; I234-F244 HydrophobicContact CD1-CD1 3.98Å; I234-F244 HydrophobicContact CD1-CE1 3.9Å; I234-F244 HydrophobicContact CG1-CD1 3.76Å; I234-F244 HydrophobicContact CG1-CE1 4.1Å; I234-F244 HydrophobicContact CG2-CD1 4.09Å; I234-F244 HydrophobicContact CG2-CE1 3.94Å; I234-L337 HydrophobicContact CB-CD1 4.41Å; I234-L337 HydrophobicContact CD1-CD1 3.83Å; I234-L337 HydrophobicContact CG2-CD1 3.76Å; I234-A351 HydrophobicContact CD1-CB 3.49Å; I234-A351 VanDerWaalsContact CD1-CB 3.49Å |
| 235 | T | 84.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.3 | 178.4 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | I141 I186 Y194 F195 I242 S243 | I141-T235 HydrophobicContact CD1-CG2 4.17Å; I186-T235 HydrophobicContact CD1-CG2 3.87Å; I186-T235 HydrophobicContact CG1-CG2 4.25Å; I186-T235 HydrophobicContact CG2-CG2 4.29Å; Y194-T235 WeakPolarHBondContact O-CA 3.11Å; F195-T235 HydrophobicContact CB-CG2 3.95Å; T235-I242 CarbonylContact O-C 3.57Å; T235-I242 WeakPolarHBondContact O-CA 3.23Å; T235-S243 PolarHBondContact N-O 3.18Å; T235-S243 PolarHBondContact O-N 2.9Å; T235-S243 PolarHBondContact OG1-OG 2.84Å |
| 236 | A | 84 | Confident | 73.1 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | R193 Y194 F241 I323 V328 | R193-A236 PolarHBondContact N-O 2.81Å; Y194-A236 PolarHBondContact N-O 2.87Å; Y194-A236 VanDerWaalsContact N-O 3.1Å; Y194-A236 PolarHBondContact O-N 3.42Å; A236-F241 CarbonylContact C-O 3.5Å; A236-F241 VanDerWaalsContact CA-O 3.28Å; A236-F241 WeakPolarHBondContact CA-O 2.93Å; A236-I323 HydrophobicContact CB-CD1 4.31Å; A236-V328 HydrophobicContact CB-CG2 4.45Å |
| 237 | G | 80 | Confident | 74.4 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | -150 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E191 P240 F241 | E191-G237 WeakPolarHBondContact O-CA 3.47Å; G237-P240 CarbonylContact C-O 3.54Å; G237-F241 PolarHBondContact N-O 2.82Å; G237-F241 WeakPolarHBondContact O-CA 3.31Å |
| 238 | S | 75.6 | Confident | 75 | Confident | 46 Ų | 46 | 22.5 Ų | 22.5 | 32% | 0.322 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -105.6 | -24 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 239 | N | 74.7 | Confident | 75.3 | Confident | 77 Ų | 77 | 25 Ų | 25 | 41% | 0.412 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -156.4 | 91.8 | -178.3 | -164.6 | 25.5 | 0 | 0 | 0 | 112.9 | G190 | G190-N239 WeakPolarHBondContact CA-O 2.96Å; G190-N239 PolarHBondContact N-O 3Å; G190-N239 VanDerWaalsContact N-O 3.13Å |
| 240 | P | 79.1 | Confident | 75.1 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | S | Bend | cis | -72.9 | 163 | 0.7 | 31.2 | -33.4 | 0 | 0 | 0 | 112.2 | T188 G237 I242 | T188-P240 HydrophobicContact CG2-CG 3.85Å; G237-P240 CarbonylContact C-O 3.54Å; P240-I242 VanDerWaalsContact C-N 3.31Å |
| 241 | F | 83.8 | Confident | 74.2 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -63.3 | -42 | 175.5 | 168.4 | -100.6 | 0 | 0 | 0 | 111.1 | A236 G237 L316 D318 R321 I339 D341 L347 | A236-F241 CarbonylContact C-O 3.5Å; A236-F241 VanDerWaalsContact CA-O 3.28Å; A236-F241 WeakPolarHBondContact CA-O 2.93Å; G237-F241 PolarHBondContact N-O 2.82Å; G237-F241 WeakPolarHBondContact O-CA 3.31Å; F241-L316 HydrophobicContact CB-CD2 4.5Å; F241-L316 WeakPolarHBondContact CB-O 3.16Å; F241-L316 HydrophobicContact CD1-CB 4.35Å; F241-L316 HydrophobicContact CD1-CD2 3.6Å; F241-L316 HydrophobicContact CE1-CD2 4.26Å; F241-L316 HydrophobicContact CG-CD2 4.37Å; F241-L316 PolarHBondContact N-O 2.83Å; F241-D318 HydrophobicContact CB-CB 4.33Å; F241-R321 HydrophobicContact CD2-CB 4Å; F241-R321 VanDerWaalsContact CD2-CD 3.49Å; F241-R321 HydrophobicContact CD2-CG 3.51Å; F241-R321 VanDerWaalsContact CE2-CD 3.43Å; F241-R321 HydrophobicContact CE2-CG 3.56Å; F241-R321 HydrophobicContact CG-CB 4.38Å; F241-R321 HydrophobicContact CG-CG 4.11Å; F241-R321 HydrophobicContact CZ-CG 4.22Å; F241-I339 HydrophobicContact CE1-CG2 4.25Å; F241-I339 HydrophobicContact CE2-CG2 4.22Å; F241-I339 HydrophobicContact CZ-CB 4.36Å; F241-I339 HydrophobicContact CZ-CG2 3.53Å; F241-D341 HydrophobicContact CE2-CB 3.99Å; F241-D341 HydrophobicContact CZ-CB 4.1Å; F241-L347 HydrophobicContact CE1-CD1 3.65Å; F241-L347 HydrophobicContact CZ-CD1 3.54Å |
| 242 | I | 87.5 | Confident | 73 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141.2 | 169.4 | -167.1 | 177 | 0 | 0 | 0 | 108.7 | I234 T235 P240 F244 G315 L316 I339 V349 | I234-I242 HydrophobicContact CG2-CD1 3.98Å; I234-I242 HydrophobicContact CG2-CG1 3.95Å; T235-I242 CarbonylContact O-C 3.57Å; T235-I242 WeakPolarHBondContact O-CA 3.23Å; P240-I242 VanDerWaalsContact C-N 3.31Å; I242-F244 HydrophobicContact CD1-CE1 4.27Å; I242-F244 HydrophobicContact CD1-CE2 4.12Å; I242-F244 HydrophobicContact CD1-CZ 3.64Å; I242-F244 HydrophobicContact CG1-CE2 4.3Å; I242-F244 HydrophobicContact CG1-CZ 4.23Å; I242-F244 HydrophobicContact CG2-CE2 4.24Å; I242-G315 CarbonylContact O-C 3.48Å; I242-G315 WeakPolarHBondContact O-CA 3.4Å; I242-L316 HydrophobicContact CG2-CB 3.49Å; I242-L316 VanDerWaalsContact CG2-CB 3.49Å; I242-L316 PolarHBondContact O-N 2.91Å; I242-I339 HydrophobicContact CD1-CD1 3.66Å; I242-I339 HydrophobicContact CG1-CD1 4.44Å; I242-V349 HydrophobicContact CD1-CG1 3.92Å; I242-V349 HydrophobicContact CD1-CG2 4.14Å |
| 243 | S | 85.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.7 | 171.9 | 37.1 | 0 | 0 | 0 | 0 | 111.2 | I234 T235 L312 | I234-S243 CarbonylContact C-O 3.3Å; I234-S243 WeakPolarHBondContact CA-O 3.45Å; T235-S243 PolarHBondContact N-O 3.18Å; T235-S243 PolarHBondContact O-N 2.9Å; T235-S243 PolarHBondContact OG1-OG 2.84Å; S243-L312 VanDerWaalsContact CB-CD1 3.42Å |
| 244 | F | 86.1 | Confident | 69.3 | Low | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.6 | 172.7 | -55 | -90.2 | 0 | 0 | 0 | 107 | R232 W233 I234 I242 S313 H314 V349 E354 | R232-F244 HydrophobicContact CG-CB 4.39Å; W233-F244 CarbonylContact O-C 3.04Å; I234-F244 HydrophobicContact CB-CD1 4.46Å; I234-F244 HydrophobicContact CD1-CD1 3.98Å; I234-F244 HydrophobicContact CD1-CE1 3.9Å; I234-F244 HydrophobicContact CG1-CD1 3.76Å; I234-F244 HydrophobicContact CG1-CE1 4.1Å; I234-F244 HydrophobicContact CG2-CD1 4.09Å; I234-F244 HydrophobicContact CG2-CE1 3.94Å; I242-F244 HydrophobicContact CD1-CE1 4.27Å; I242-F244 HydrophobicContact CD1-CE2 4.12Å; I242-F244 HydrophobicContact CD1-CZ 3.64Å; I242-F244 HydrophobicContact CG1-CE2 4.3Å; I242-F244 HydrophobicContact CG1-CZ 4.23Å; I242-F244 HydrophobicContact CG2-CE2 4.24Å; F244-S313 VanDerWaalsContact C-OG 3.25Å; F244-S313 WeakPolarHBondContact CB-OG 3.37Å; F244-S313 PolarHBondContact O-N 2.84Å; F244-S313 PolarHBondContact O-OG 3.26Å; F244-H314 HydrophobicContact CD2-CB 4.09Å; F244-H314 WeakPolarHBondContact CD2-O 2.94Å; F244-H314 PolarHBondContact N-O 2.58Å; F244-V349 HydrophobicContact CE1-CG1 4.21Å; F244-V349 HydrophobicContact CZ-CG1 3.65Å; F244-E354 HydrophobicContact CB-CB 4.44Å; F244-E354 HydrophobicContact CB-CG 4.14Å; F244-E354 HydrophobicContact CD1-CB 3.96Å; F244-E354 HydrophobicContact CD1-CG 3.73Å; F244-E354 HydrophobicContact CD2-CB 3.96Å; F244-E354 HydrophobicContact CD2-CG 4.47Å; F244-E354 HydrophobicContact CE1-CB 4.17Å; F244-E354 HydrophobicContact CE1-CG 4.25Å; F244-E354 HydrophobicContact CE2-CB 4.16Å; F244-E354 HydrophobicContact CG-CB 3.86Å; F244-E354 HydrophobicContact CG-CG 3.87Å; F244-E354 HydrophobicContact CZ-CB 4.26Å |
| 245 | S | 83.1 | Confident | 67.5 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.4 | -173.6 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | R232 W233 S311 | R232-S245 WeakPolarHBondContact CD-O 3.32Å; W233-S245 PolarHBondContact N-O 3.21Å; W233-S245 PolarHBondContact O-N 3.34Å; S245-S311 CarbonylContact C-O 3.52Å; S245-S311 WeakPolarHBondContact CA-O 3.15Å; S245-S311 WeakPolarHBondContact CB-O 3.1Å |
| 246 | F | 77.2 | Confident | 65.7 | Low | 54 Ų | 54 | 55.1 Ų | 55.1 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158.5 | -179.6 | 59 | -71.4 | 0 | 0 | 0 | 110.6 | R232 N248 L310 S311 | R232-F246 VanDerWaalsContact NH1-CB 3.3Å; R232-F246 VanDerWaalsContact NH1-CG 3.33Å; F246-N248 HydrophobicContact CD2-CB 4.42Å; F246-N248 HydrophobicContact CE2-CB 4.1Å; F246-N248 WeakPolarHBondContact CE2-OD1 3.35Å; F246-L310 WeakPolarHBondContact O-CA 3.17Å; F246-S311 WeakPolarHBondContact CD1-O 3.42Å; F246-S311 WeakPolarHBondContact CE1-O 3.12Å; F246-S311 PolarHBondContact N-O 3.04Å; F246-S311 PolarHBondContact O-N 3.36Å |
| 247 | L | 70.4 | Confident | 63.8 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.8 | 173.4 | -155.9 | 71.5 | 0 | 0 | 0 | 109.7 | L184 P228 E249 I308 L310 | L184-L247 HydrophobicContact CD2-CD1 3.43Å; L184-L247 VanDerWaalsContact CD2-CD1 3.43Å; P228-L247 HydrophobicContact CB-CB 3.66Å; P228-L247 HydrophobicContact CB-CD2 3.27Å; P228-L247 HydrophobicContact CB-CG 4.02Å; P228-L247 HydrophobicContact CG-CD2 3.9Å; L247-E249 HydrophobicContact CD2-CG 3.83Å; L247-E249 WeakPolarHBondContact CD2-OE1 3.02Å; L247-E249 HydrophobicContact CG-CG 4.2Å; L247-I308 HydrophobicContact CD1-CB 4.21Å; L247-I308 HydrophobicContact CD1-CG2 3.52Å; L247-I308 HydrophobicContact CD2-CG2 4.4Å; L247-I308 HydrophobicContact CG-CG2 4.19Å; L247-L310 HydrophobicContact CB-CD2 4.31Å; L247-L310 HydrophobicContact CD1-CD2 3.76Å |
| 248 | N | 62.2 | Low | 62.3 | Low | 71 Ų | 71 | 63.8 Ų | 63.8 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | trans | -112.4 | 79.9 | -176.5 | -149.8 | 28.3 | 0 | 0 | 0 | 108.5 | F246 S311 | F246-N248 HydrophobicContact CD2-CB 4.42Å; F246-N248 HydrophobicContact CE2-CB 4.1Å; F246-N248 WeakPolarHBondContact CE2-OD1 3.35Å; N248-S311 WeakPolarHBondContact CB-OG 3.19Å; N248-S311 PolarHBondContact ND2-OG 3.2Å | ||
| 249 | E | 53.9 | Low | 61.1 | Low | 70 Ų | 70 | 64.7 Ų | 64.7 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -78.9 | -20 | -179.6 | -76.8 | -173.8 | 176.3 | 0 | 0 | 112.6 | R182 L247 | R182-E249 IonicContact NH1-OE1 2.65Å; R182-E249 PolarHBondContact NH1-OE1 3.44Å; L247-E249 HydrophobicContact CD2-CG 3.83Å; L247-E249 WeakPolarHBondContact CD2-OE1 3.02Å; L247-E249 HydrophobicContact CG-CG 4.2Å |
| 250 | N | 45.1 | Very low | 59.8 | Low | 113 Ų | 113 | 63.2 Ų | 63.2 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -143.9 | 123.7 | 173.2 | -67.1 | -57.7 | 0 | 0 | 0 | 110.3 | D252 | N250-D252 PolarHBondContact O-N 3.04Š|
| 251 | A | 38.6 | Very low | 58.3 | Low | 83 Ų | 83 | 64.1 Ų | 64.1 | 69% | 0.686 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -66.1 | 102.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 252 | D | 39.5 | Very low | 56.7 | Low | 122 Ų | 122 | 66.4 Ų | 66.4 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | trans | 141.4 | 107.8 | 151.3 | -70.1 | -23.1 | 0 | 0 | 0 | 110.5 | N250 E254 | N250-D252 PolarHBondContact O-N 3.04Å; D252-E254 PolarHBondContact O-N 3.39Å | ||
| 253 | P | 40.1 | Very low | 55 | Low | 135 Ų | 135 | 73.5 Ų | 73.5 | 88% | 0.877 | 41% | 0.408 | S | S | * | . | trans | -84.6 | 49.1 | -170 | 37.8 | -36.1 | 0 | 0 | 0 | 111.6 | ||||
| 254 | E | 41.4 | Very low | 53.2 | Low | 139 Ų | 139 | 78.3 Ų | 78.3 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | trans | -78.8 | 129.8 | 167.8 | -74 | -165.6 | 167.9 | 0 | 0 | 109.9 | D252 S256 H257 | D252-E254 PolarHBondContact O-N 3.39Å; E254-S256 PolarHBondContact O-N 3.45Å; E254-H257 PolarHBondContact O-N 3.18Å | ||
| 255 | V | 45.7 | Very low | 51.3 | Low | 134 Ų | 134 | 80.2 Ų | 80.2 | 81% | 0.812 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -24.6 | -177.5 | -179.4 | 0 | 0 | 0 | 0 | 113.3 | H257 F258 | V255-H257 VanDerWaalsContact C-N 3.29Å; V255-H257 PolarHBondContact O-N 3.01Å; V255-F258 PolarHBondContact O-N 3.48Å |
| 256 | S | 46.6 | Very low | 49.6 | Very low | 72 Ų | 72 | 81.9 Ų | 81.9 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 176.8 | 62 | 0 | 0 | 0 | 0 | 113.8 | E254 | E254-S256 PolarHBondContact O-N 3.45Å |
| 257 | H | 44.7 | Very low | 48 | Very low | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83.2 | -21.3 | -178.6 | -77.1 | 86.3 | 0 | 0 | 0 | 113.9 | E254 V255 S260 F261 | E254-H257 PolarHBondContact O-N 3.18Å; V255-H257 VanDerWaalsContact C-N 3.29Å; V255-H257 PolarHBondContact O-N 3.01Å; H257-S260 WeakPolarHBondContact CA-OG 3.2Å; H257-S260 PolarHBondContact O-N 3.21Å; H257-S260 PolarHBondContact O-OG 2.91Å; H257-F261 VanDerWaalsContact O-CB 3.28Å; H257-F261 WeakPolarHBondContact O-CB 3.42Å; H257-F261 PolarHBondContact O-N 3.17Å |
| 258 | F | 47.5 | Very low | 46.7 | Very low | 79 Ų | 79 | 91.7 Ų | 91.7 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.1 | -177.4 | -101.4 | 0 | 0 | 0 | 110.7 | V255 S260 F261 V262 | V255-F258 PolarHBondContact O-N 3.48Å; F258-S260 VanDerWaalsContact C-N 3.33Å; F258-S260 PolarHBondContact O-N 3.06Å; F258-F261 PolarHBondContact O-N 3.36Å; F258-V262 HydrophobicContact CD1-CG2 4.09Å; F258-V262 HydrophobicContact CD2-CG2 4.43Å; F258-V262 HydrophobicContact CE1-CG2 3.71Å; F258-V262 HydrophobicContact CE2-CG2 4.08Å; F258-V262 HydrophobicContact CG-CG2 4.44Å; F258-V262 HydrophobicContact CZ-CG2 3.71Å; F258-V262 WeakPolarHBondContact O-CB 3.47Å; F258-V262 VanDerWaalsContact O-CG2 3.26Å; F258-V262 WeakPolarHBondContact O-CG2 3.33Å; F258-V262 PolarHBondContact O-N 2.99Å |
| 259 | A | 49.7 | Very low | 45.8 | Very low | 66 Ų | 66 | 88.7 Ų | 88.7 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y263 | A259-Y263 WeakPolarHBondContact O-CB 3.48Å; A259-Y263 PolarHBondContact O-N 2.98Å |
| 260 | S | 48 | Very low | 45.3 | Very low | 45 Ų | 45 | 92.2 Ų | 92.2 | 32% | 0.315 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -35.1 | 177.9 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | H257 F258 Y263 Q264 | H257-S260 WeakPolarHBondContact CA-OG 3.2Å; H257-S260 PolarHBondContact O-N 3.21Å; H257-S260 PolarHBondContact O-OG 2.91Å; F258-S260 VanDerWaalsContact C-N 3.33Å; F258-S260 PolarHBondContact O-N 3.06Å; S260-Y263 PolarHBondContact O-N 3.12Å; S260-Q264 WeakPolarHBondContact O-CB 3.2Å; S260-Q264 VanDerWaalsContact O-CG 3.29Å; S260-Q264 WeakPolarHBondContact O-CG 3.29Å; S260-Q264 PolarHBondContact O-N 3.01Å |
| 261 | F | 47.7 | Very low | 45.3 | Very low | 39 Ų | 39 | 94.4 Ų | 94.4 | 17% | 0.171 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.8 | -49.7 | 173 | 177.4 | -96.6 | 0 | 0 | 0 | 111.3 | H257 F258 Y263 Q264 E265 | H257-F261 VanDerWaalsContact O-CB 3.28Å; H257-F261 WeakPolarHBondContact O-CB 3.42Å; H257-F261 PolarHBondContact O-N 3.17Å; F258-F261 PolarHBondContact O-N 3.36Å; F261-Y263 VanDerWaalsContact C-N 3.25Å; F261-Y263 PolarHBondContact O-N 3.46Å; F261-Q264 PolarHBondContact O-N 3.27Å; F261-Q264 VanDerWaalsContact O-N 3.14Å; F261-E265 HydrophobicContact CE1-CG 4.06Å; F261-E265 HydrophobicContact CE2-CG 4.18Å; F261-E265 HydrophobicContact CZ-CG 3.86Å; F261-E265 WeakPolarHBondContact O-CB 3.45Å; F261-E265 PolarHBondContact O-N 3.32Å |
| 262 | V | 50.4 | Low | 45.3 | Very low | 49 Ų | 49 | 92.4 Ų | 92.4 | 30% | 0.297 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | F258 E265 A266 | F258-V262 HydrophobicContact CD1-CG2 4.09Å; F258-V262 HydrophobicContact CD2-CG2 4.43Å; F258-V262 HydrophobicContact CE1-CG2 3.71Å; F258-V262 HydrophobicContact CE2-CG2 4.08Å; F258-V262 HydrophobicContact CG-CG2 4.44Å; F258-V262 HydrophobicContact CZ-CG2 3.71Å; F258-V262 WeakPolarHBondContact O-CB 3.47Å; F258-V262 VanDerWaalsContact O-CG2 3.26Å; F258-V262 WeakPolarHBondContact O-CG2 3.33Å; F258-V262 PolarHBondContact O-N 2.99Å; V262-E265 PolarHBondContact O-N 3.48Å; V262-A266 WeakPolarHBondContact O-CB 3.39Å; V262-A266 PolarHBondContact O-N 3.4Å |
| 263 | Y | 51.2 | Low | 45.1 | Very low | 151 Ų | 151 | 94.4 Ų | 94.4 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 174.6 | 177.8 | -97.7 | 0 | 0 | 0 | 112.6 | A259 S260 F261 A266 K267 | A259-Y263 WeakPolarHBondContact O-CB 3.48Å; A259-Y263 PolarHBondContact O-N 2.98Å; S260-Y263 PolarHBondContact O-N 3.12Å; F261-Y263 VanDerWaalsContact C-N 3.25Å; F261-Y263 PolarHBondContact O-N 3.46Å; Y263-A266 PolarHBondContact O-N 2.89Å; Y263-K267 HydrophobicContact CE1-CD 4.15Å; Y263-K267 WeakPolarHBondContact O-CB 2.91Å; Y263-K267 PolarHBondContact O-N 2.71Å |
| 264 | Q | 48.8 | Very low | 44.7 | Very low | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -39 | 177 | -79.7 | -177.5 | 8.5 | 0 | 0 | 111.7 | S260 F261 K267 R268 | S260-Q264 WeakPolarHBondContact O-CB 3.2Å; S260-Q264 VanDerWaalsContact O-CG 3.29Å; S260-Q264 WeakPolarHBondContact O-CG 3.29Å; S260-Q264 PolarHBondContact O-N 3.01Å; F261-Q264 PolarHBondContact O-N 3.27Å; F261-Q264 VanDerWaalsContact O-N 3.14Å; Q264-K267 PolarHBondContact O-N 3.07Å; Q264-R268 WeakPolarHBondContact O-CB 3.17Å; Q264-R268 VanDerWaalsContact O-CG 3.26Å; Q264-R268 WeakPolarHBondContact O-CG 3.36Å; Q264-R268 PolarHBondContact O-N 3.1Å |
| 265 | E | 45.5 | Very low | 44.4 | Very low | 45 Ų | 45 | 98.7 Ų | 98.7 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -74.1 | -33.7 | 177.5 | -86.7 | -57.1 | 131 | 0 | 0 | 113 | K223 F261 V262 R268 A269 | K223-E265 WeakPolarHBondContact CE-OE2 3.36Å; K223-E265 PolarHBondContact NZ-O 3.4Å; K223-E265 VanDerWaalsContact NZ-O 3.1Å; K223-E265 IonicContact NZ-OE2 3.88Å; K223-E265 PolarHBondContact NZ-OE2 3.4Å; F261-E265 HydrophobicContact CE1-CG 4.06Å; F261-E265 HydrophobicContact CE2-CG 4.18Å; F261-E265 HydrophobicContact CZ-CG 3.86Å; F261-E265 WeakPolarHBondContact O-CB 3.45Å; F261-E265 PolarHBondContact O-N 3.32Å; V262-E265 PolarHBondContact O-N 3.48Å; E265-R268 WeakPolarHBondContact OE1-CD 3.39Å; E265-R268 IonicContact OE1-NH1 2.93Å; E265-R268 PolarHBondContact OE1-NH1 3.29Å; E265-A269 VanDerWaalsContact O-CB 3.26Å; E265-A269 WeakPolarHBondContact O-CB 3.37Å; E265-A269 PolarHBondContact O-N 3.06Å |
| 266 | A | 46.5 | Very low | 43.9 | Very low | 36 Ų | 36 | 99 Ų | 99 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V262 Y263 A269 M270 | V262-A266 WeakPolarHBondContact O-CB 3.39Å; V262-A266 PolarHBondContact O-N 3.4Å; Y263-A266 PolarHBondContact O-N 2.89Å; A266-A269 PolarHBondContact O-N 2.83Å; A266-M270 WeakPolarHBondContact O-CB 3.31Å; A266-M270 VanDerWaalsContact O-CG 3.25Å; A266-M270 WeakPolarHBondContact O-CG 3.45Å; A266-M270 PolarHBondContact O-N 3.28Å |
| 267 | K | 44.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 98.9 Ų | 98.9 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.7 | -171.4 | 179.2 | -179.4 | 176 | 0 | 111.7 | Y263 Q264 M270 F271 | Y263-K267 HydrophobicContact CE1-CD 4.15Å; Y263-K267 WeakPolarHBondContact O-CB 2.91Å; Y263-K267 PolarHBondContact O-N 2.71Å; Q264-K267 PolarHBondContact O-N 3.07Å; K267-M270 PolarHBondContact O-N 3.33Å; K267-F271 HydrophobicContact CG-CD2 3.71Å; K267-F271 HydrophobicContact CG-CE2 4.13Å; K267-F271 WeakPolarHBondContact O-CB 3.39Å; K267-F271 VanDerWaalsContact O-CD2 3.26Å; K267-F271 WeakPolarHBondContact O-CD2 3.5Å; K267-F271 PolarHBondContact O-N 3.42Å |
| 268 | R | 41.9 | Very low | 43.1 | Very low | 154 Ų | 154 | 98 Ų | 98 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 173.2 | -78.3 | 173.5 | 177.9 | 176.3 | -1.1 | 111.2 | Q264 E265 G272 | Q264-R268 WeakPolarHBondContact O-CB 3.17Å; Q264-R268 VanDerWaalsContact O-CG 3.26Å; Q264-R268 WeakPolarHBondContact O-CG 3.36Å; Q264-R268 PolarHBondContact O-N 3.1Å; E265-R268 WeakPolarHBondContact OE1-CD 3.39Å; E265-R268 IonicContact OE1-NH1 2.93Å; E265-R268 PolarHBondContact OE1-NH1 3.29Å; R268-G272 VanDerWaalsContact O-CA 3.24Å; R268-G272 WeakPolarHBondContact O-CA 3.15Å; R268-G272 PolarHBondContact O-N 3.04Å |
| 269 | A | 45 | Very low | 42.8 | Very low | 9 Ų | 9 | 100.8 Ų | 100.8 | 7% | 0.074 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F215 L219 E265 A266 | F215-A269 HydrophobicContact CE1-CB 4.43Å; L219-A269 HydrophobicContact CD1-CB 4.45Å; L219-A269 WeakPolarHBondContact CD1-O 3.19Å; E265-A269 VanDerWaalsContact O-CB 3.26Å; E265-A269 WeakPolarHBondContact O-CB 3.37Å; E265-A269 PolarHBondContact O-N 3.06Å; A266-A269 PolarHBondContact O-N 2.83Å |
| 270 | M | 42 | Very low | 42.7 | Very low | 144 Ų | 144 | 100.6 Ų | 100.6 | 71% | 0.709 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.9 | -29 | -179.3 | -72.9 | -168.9 | 88.2 | 0 | 0 | 113.9 | A266 K267 | A266-M270 WeakPolarHBondContact O-CB 3.31Å; A266-M270 VanDerWaalsContact O-CG 3.25Å; A266-M270 WeakPolarHBondContact O-CG 3.45Å; A266-M270 PolarHBondContact O-N 3.28Å; K267-M270 PolarHBondContact O-N 3.33Å |
| 271 | F | 46.6 | Very low | 42.9 | Very low | 159 Ų | 159 | 102.9 Ų | 102.9 | 70% | 0.697 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -125.8 | -8.1 | -170.1 | -58.5 | -68.6 | 0 | 0 | 0 | 115.3 | K267 | K267-F271 HydrophobicContact CG-CD2 3.71Å; K267-F271 HydrophobicContact CG-CE2 4.13Å; K267-F271 WeakPolarHBondContact O-CB 3.39Å; K267-F271 VanDerWaalsContact O-CD2 3.26Å; K267-F271 WeakPolarHBondContact O-CD2 3.5Å; K267-F271 PolarHBondContact O-N 3.42Å |
| 272 | G | 38.5 | Very low | 43.6 | Very low | 40 Ų | 40 | 104.9 Ų | 104.9 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | trans | -100.8 | 82.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R268 K274 | R268-G272 VanDerWaalsContact O-CA 3.24Å; R268-G272 WeakPolarHBondContact O-CA 3.15Å; R268-G272 PolarHBondContact O-N 3.04Å; G272-K274 VanDerWaalsContact C-N 3.34Å; G272-K274 PolarHBondContact O-N 3.11Å | ||
| 273 | I | 34.2 | Very low | 44.6 | Very low | 165 Ų | 165 | 103.6 Ų | 103.6 | 85% | 0.846 | 52% | 0.516 | S | S | * | . | trans | -73.4 | 88.7 | 165.7 | -56.5 | 166.8 | 0 | 0 | 0 | 108.1 | ||||
| 274 | K | 32.7 | Very low | 45.8 | Very low | 168 Ų | 168 | 96.5 Ų | 96.5 | 73% | 0.73 | 49% | 0.489 | S | S | * | . | trans | -108.3 | 99.5 | 158.7 | -86.5 | -170.2 | 174.8 | -174.1 | 0 | 108.2 | G272 Y276 | G272-K274 VanDerWaalsContact C-N 3.34Å; G272-K274 PolarHBondContact O-N 3.11Å; K274-Y276 PolarHBondContact O-N 3.38Å | ||
| 275 | K | 33.4 | Very low | 47.2 | Very low | 196 Ų | 196 | 94.4 Ų | 94.4 | 85% | 0.852 | 48% | 0.483 | S | S | * | . | trans | -57 | 111.3 | 157.1 | -77.8 | -176.8 | 173.1 | -177.4 | 0 | 106.7 | S277 | K275-S277 PolarHBondContact O-N 2.76Å; K275-S277 VanDerWaalsContact O-N 3.07Å | ||
| 276 | Y | 36 | Very low | 48.9 | Very low | 139 Ų | 139 | 92.3 Ų | 92.3 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | trans | -54.8 | 114.9 | 177.3 | -67.6 | -90 | 0 | 0 | 0 | 108.3 | D222 K274 D280 | D222-Y276 PolarHBondContact OD1-OH 2.79Å; K274-Y276 PolarHBondContact O-N 3.38Å; Y276-D280 WeakPolarHBondContact CD1-OD2 3.37Å | ||
| 277 | S | 34.5 | Very low | 50.4 | Low | 70 Ų | 70 | 94 Ų | 94 | 49% | 0.49 | 48% | 0.479 | S | S | . | . | trans | -74.9 | 146.5 | 168.9 | 173.2 | 0 | 0 | 0 | 0 | 106.8 | K275 N279 D280 | K275-S277 PolarHBondContact O-N 2.76Å; K275-S277 VanDerWaalsContact O-N 3.07Å; S277-N279 PolarHBondContact O-N 3.31Å; S277-D280 PolarHBondContact O-N 2.85Å; S277-D280 VanDerWaalsContact O-N 3.1Å | ||
| 278 | S | 40.2 | Very low | 51.9 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -1.3 | 175.2 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 279 | N | 40.7 | Very low | 52.9 | Low | 139 Ų | 139 | 86 Ų | 86 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 7.5 | 179.7 | -70 | -2 | 0 | 0 | 0 | 114 | S277 | S277-N279 PolarHBondContact O-N 3.31Š|
| 280 | D | 48.2 | Very low | 53.5 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 33% | 0.326 | 49% | 0.488 | S | S | . | . | trans | -70.6 | 126.3 | 174.9 | -86.5 | -44.2 | 0 | 0 | 0 | 111.2 | Y276 S277 E282 S283 | Y276-D280 WeakPolarHBondContact CD1-OD2 3.37Å; S277-D280 PolarHBondContact O-N 2.85Å; S277-D280 VanDerWaalsContact O-N 3.1Å; D280-E282 PolarHBondContact O-N 3.02Å; D280-E282 VanDerWaalsContact O-N 3.07Å; D280-S283 PolarHBondContact O-N 2.95Å; D280-S283 PolarHBondContact O-OG 3.12Å; D280-S283 VanDerWaalsContact O-OG 3.06Å | ||
| 281 | P | 51.8 | Low | 53.7 | Low | 94 Ų | 94 | 93.2 Ų | 93.2 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.5 | -171.9 | 25 | -33.5 | 0 | 0 | 0 | 114.1 | L305 | P281-L305 WeakPolarHBondContact O-CD1 3.34Å; P281-L305 WeakPolarHBondContact O-CD2 3.45Å; P281-L305 VanDerWaalsContact O-CG 3.26Å; P281-L305 WeakPolarHBondContact O-CG 3.38Å |
| 282 | E | 62.4 | Low | 53.8 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.9 | -178.2 | -62.3 | -168.3 | -179.9 | 0 | 0 | 114.6 | Y181 R182 D280 L305 | Y181-E282 PolarHBondContact N-O 2.87Å; R182-E282 IonicContact CZ-OE2 3.84Å; R182-E282 IonicContact NE-OE1 3.75Å; R182-E282 IonicContact NE-OE2 2.77Å; R182-E282 PolarHBondContact NE-OE2 3.22Å; R182-E282 IonicContact NH2-OE2 2.97Å; R182-E282 PolarHBondContact NH2-OE2 3.07Å; D280-E282 PolarHBondContact O-N 3.02Å; D280-E282 VanDerWaalsContact O-N 3.07Å; E282-L305 HydrophobicContact CG-CD2 4.18Å |
| 283 | S | 71.2 | Confident | 54.1 | Low | 22 Ų | 22 | 101.2 Ų | 101.2 | 15% | 0.154 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132 | -179.9 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | D280 | D280-S283 PolarHBondContact O-N 2.95Å; D280-S283 PolarHBondContact O-OG 3.12Å; D280-S283 VanDerWaalsContact O-OG 3.06Å |
| 284 | L | 76.1 | Confident | 54.8 | Low | 2 Ų | 2 | 96.8 Ų | 96.8 | 1% | 0.01 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114.7 | 172.7 | -71.2 | 160.1 | 0 | 0 | 0 | 109.2 | F144 T178 I179 Y181 V286 M301 C302 | F144-L284 HydrophobicContact CD1-CD1 3.79Å; F144-L284 HydrophobicContact CE1-CD1 3.47Å; F144-L284 VanDerWaalsContact CE1-CD1 3.47Å; T178-L284 CarbonylContact C-O 3.6Å; T178-L284 WeakPolarHBondContact CA-O 3.34Å; I179-L284 HydrophobicContact CB-CB 4.19Å; I179-L284 HydrophobicContact CB-CD1 4.46Å; I179-L284 PolarHBondContact N-O 2.79Å; I179-L284 WeakPolarHBondContact O-CB 3.44Å; I179-L284 PolarHBondContact O-N 3.28Å; Y181-L284 HydrophobicContact CD1-CB 4.43Å; Y181-L284 HydrophobicContact CD1-CD1 3.69Å; Y181-L284 HydrophobicContact CD1-CD2 4.15Å; Y181-L284 HydrophobicContact CD1-CG 3.41Å; Y181-L284 VanDerWaalsContact CD1-CG 3.41Å; Y181-L284 HydrophobicContact CD2-CD1 4.03Å; Y181-L284 HydrophobicContact CD2-CG 4.35Å; Y181-L284 HydrophobicContact CE1-CB 4.44Å; Y181-L284 HydrophobicContact CE1-CD1 4.07Å; Y181-L284 HydrophobicContact CE1-CD2 3.64Å; Y181-L284 HydrophobicContact CE1-CG 3.38Å; Y181-L284 HydrophobicContact CE2-CD1 4.35Å; Y181-L284 HydrophobicContact CE2-CD2 4.11Å; Y181-L284 HydrophobicContact CE2-CG 4.3Å; Y181-L284 HydrophobicContact CG-CD1 3.62Å; Y181-L284 HydrophobicContact CG-CG 3.89Å; L284-V286 PolarHBondContact O-N 3.09Å; L284-M301 WeakPolarHBondContact CD2-O 3.2Å; L284-C302 VanDerWaalsContact CD2-CA 3.49Å; L284-C302 HydrophobicContact CD2-CB 4.07Å; L284-C302 VanDerWaalsContact CD2-SG 3.59Å |
| 285 | V | 79.7 | Confident | 55.7 | Low | 59 Ų | 59 | 92 Ų | 92 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.8 | 172.2 | -174 | 0 | 0 | 0 | 0 | 109 | T176 T178 T287 | T176-V285 HydrophobicContact CG2-CG1 4.12Å; T178-V285 HydrophobicContact CG2-CG2 4.37Å; V285-T287 HydrophobicContact CG1-CG2 4.05Å |
| 286 | V | 81.3 | Confident | 57.2 | Low | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.5 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | L112 V152 T176 M177 I179 L284 W288 P298 A300 | L112-V286 HydrophobicContact CD1-CG1 3.8Å; L112-V286 HydrophobicContact CD1-CG2 4.44Å; V152-V286 HydrophobicContact CG1-CG1 3.91Å; V152-V286 HydrophobicContact CG1-CG2 4.25Å; V152-V286 HydrophobicContact CG2-CG2 4.05Å; T176-V286 WeakPolarHBondContact CA-O 3.36Å; M177-V286 HydrophobicContact CB-CB 4.5Å; M177-V286 PolarHBondContact N-O 3.45Å; M177-V286 PolarHBondContact O-N 3.02Å; I179-V286 HydrophobicContact CD1-CG2 3.58Å; I179-V286 HydrophobicContact CG1-CG2 3.78Å; L284-V286 PolarHBondContact O-N 3.09Å; V286-W288 HydrophobicContact CB-CZ3 4.24Å; V286-W288 HydrophobicContact CG1-CE3 4.31Å; V286-W288 HydrophobicContact CG1-CH2 4.01Å; V286-W288 HydrophobicContact CG1-CZ3 3.87Å; V286-P298 HydrophobicContact CG1-CB 3.61Å; V286-P298 HydrophobicContact CG1-CG 4.4Å; V286-A300 HydrophobicContact CG2-CB 4.08Å |
| 287 | T | 78 | Confident | 59 | Low | 71 Ų | 71 | 83.4 Ų | 83.4 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133 | -178.2 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | T176 V285 P298 T299 | T176-T287 HydrophobicContact CG2-CG2 4.21Å; V285-T287 HydrophobicContact CG1-CG2 4.05Å; T287-P298 WeakPolarHBondContact O-CA 3.45Å; T287-T299 PolarHBondContact N-O 3.09Å; T287-T299 PolarHBondContact O-N 2.66Å; T287-T299 VanDerWaalsContact O-N 3.1Å; T287-T299 PolarHBondContact OG1-O 2.96Å |
| 288 | W | 74.9 | Confident | 61.3 | Low | 43 Ų | 43 | 80 Ų | 80 | 16% | 0.163 | 42% | 0.421 | C | S | . | . | trans | -94.3 | 121.4 | 170.8 | -75.3 | -102.9 | 0 | 0 | 0 | 109.1 | V152 N155 M177 V286 P298 | V152-W288 HydrophobicContact CG1-CH2 4.24Å; V152-W288 HydrophobicContact CG1-CZ2 4.4Å; N155-W288 HydrophobicContact CB-CZ2 4.41Å; M177-W288 HydrophobicContact CB-CH2 4.02Å; M177-W288 HydrophobicContact CB-CZ3 4.02Å; M177-W288 HydrophobicContact CG-CH2 3.95Å; M177-W288 HydrophobicContact CG-CZ3 4.11Å; M177-W288 HydrophobicContact SD-CH2 3.88Å; V286-W288 HydrophobicContact CB-CZ3 4.24Å; V286-W288 HydrophobicContact CG1-CE3 4.31Å; V286-W288 HydrophobicContact CG1-CH2 4.01Å; V286-W288 HydrophobicContact CG1-CZ3 3.87Å; W288-P298 HydrophobicContact CD2-CB 3.78Å; W288-P298 HydrophobicContact CD2-CG 4.39Å; W288-P298 HydrophobicContact CE3-CB 4.34Å; W288-P298 HydrophobicContact CG-CB 3.97Å; W288-P298 HydrophobicContact CZ2-CB 4.17Å; W288-P298 HydrophobicContact CZ2-CG 4.09Å | ||
| 289 | S | 64.6 | Low | 63.3 | Low | 53 Ų | 53 | 77.5 Ų | 77.5 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | trans | -80.5 | 122.3 | 179.5 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | Q291 M296 | S289-Q291 PolarHBondContact O-N 3.34Å; S289-M296 WeakPolarHBondContact OG-CB 3.4Å | ||
| 290 | Q | 56.1 | Low | 65.5 | Low | 169 Ų | 169 | 71 Ų | 71 | 79% | 0.79 | 37% | 0.367 | S | S | * | . | trans | -83 | 94.8 | 172.8 | -69.2 | -177.7 | -7.3 | 0 | 0 | 110.4 | ||||
| 291 | Q | 46.3 | Very low | 67.1 | Low | 136 Ų | 136 | 74.1 Ų | 74.1 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | trans | -112.4 | 135.1 | 155.5 | -87 | -169.4 | -11.2 | 0 | 0 | 109.2 | S289 D293 | S289-Q291 PolarHBondContact O-N 3.34Å; Q291-D293 VanDerWaalsContact C-N 3.27Å; Q291-D293 PolarHBondContact O-N 3.3Å; Q291-D293 VanDerWaalsContact O-N 3.17Å | ||
| 292 | K | 49.6 | Very low | 68.1 | Low | 206 Ų | 206 | 70.3 Ų | 70.3 | 90% | 0.896 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.3 | -163.1 | -85 | -174.3 | 172.2 | -176.6 | 0 | 115.7 | ||
| 293 | D | 45.5 | Very low | 68.3 | Low | 160 Ų | 160 | 72.1 Ų | 72.1 | 86% | 0.856 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 3.7 | -166.7 | -59.4 | -37.6 | 0 | 0 | 0 | 114.9 | Q291 | Q291-D293 VanDerWaalsContact C-N 3.27Å; Q291-D293 PolarHBondContact O-N 3.3Å; Q291-D293 VanDerWaalsContact O-N 3.17Å |
| 294 | S | 48.8 | Very low | 67.6 | Low | 73 Ų | 73 | 77.3 Ų | 77.3 | 51% | 0.51 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -160.1 | 133.5 | 173.7 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | M296 | S294-M296 PolarHBondContact O-N 3.09Š|
| 295 | F | 50.6 | Low | 66.7 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | trans | -55.1 | 114.1 | 169 | 176.5 | -95.8 | 0 | 0 | 0 | 109.7 | Y159 L160 | Y159-F295 AromaticContact CD1-CD2 3.36Å; Y159-F295 HydrophobicContact CD1-CD2 3.36Å; Y159-F295 AromaticContact CD1-CE2 3.29Å; Y159-F295 HydrophobicContact CD1-CE2 3.29Å; Y159-F295 AromaticContact CE1-CD2 3.62Å; Y159-F295 HydrophobicContact CE1-CD2 3.62Å; Y159-F295 AromaticContact CE1-CE2 3.94Å; Y159-F295 HydrophobicContact CE1-CE2 3.94Å; Y159-F295 HydrophobicContact CG-CD2 4.49Å; Y159-F295 HydrophobicContact CG-CE2 4.05Å; L160-F295 HydrophobicContact CD1-CE1 4.31Å; L160-F295 HydrophobicContact CD1-CZ 4.46Å; L160-F295 HydrophobicContact CD2-CD1 3.47Å; L160-F295 VanDerWaalsContact CD2-CD1 3.47Å; L160-F295 HydrophobicContact CD2-CD2 4.3Å; L160-F295 HydrophobicContact CD2-CE1 3.38Å; L160-F295 HydrophobicContact CD2-CE2 4.23Å; L160-F295 HydrophobicContact CD2-CG 3.94Å; L160-F295 HydrophobicContact CD2-CZ 3.78Å; L160-F295 HydrophobicContact CG-CD1 4.38Å; L160-F295 HydrophobicContact CG-CE1 3.82Å; L160-F295 HydrophobicContact CG-CE2 4.32Å; L160-F295 HydrophobicContact CG-CZ 3.77Å | ||
| 296 | M | 64.6 | Low | 66 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 130.3 | 163.3 | -82.6 | -171.2 | 73.9 | 0 | 0 | 108.2 | S289 S294 | S289-M296 WeakPolarHBondContact OG-CB 3.4Å; S294-M296 PolarHBondContact O-N 3.09Å |
| 297 | Y | 73.9 | Confident | 65.4 | Low | 79 Ų | 79 | 85.4 Ų | 85.4 | 31% | 0.31 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 149.6 | 177.1 | 53.8 | -94.1 | 0 | 0 | 0 | 111.2 | I110 C113 | I110-Y297 HydrophobicContact CB-CD1 3.79Å; I110-Y297 HydrophobicContact CB-CD2 4.4Å; I110-Y297 HydrophobicContact CB-CE1 4.32Å; I110-Y297 HydrophobicContact CB-CG 3.83Å; I110-Y297 HydrophobicContact CD1-CD1 3.96Å; I110-Y297 HydrophobicContact CD1-CE1 3.62Å; I110-Y297 HydrophobicContact CG1-CD1 4.47Å; I110-Y297 HydrophobicContact CG2-CD1 3.92Å; I110-Y297 HydrophobicContact CG2-CD2 3.6Å; I110-Y297 HydrophobicContact CG2-CE1 4.37Å; I110-Y297 HydrophobicContact CG2-CE2 4.08Å; I110-Y297 HydrophobicContact CG2-CG 3.5Å; I110-Y297 VanDerWaalsContact O-CB 3.29Å; I110-Y297 WeakPolarHBondContact O-CB 3.37Å; C113-Y297 HydrophobicContact CB-CD2 3.82Å; C113-Y297 HydrophobicContact CB-CE2 3.51Å |
| 298 | P | 83.7 | Confident | 65.2 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 142.7 | 179.9 | 25.6 | -33.6 | 0 | 0 | 0 | 112 | L111 L112 C113 S156 V286 T287 W288 | L111-P298 WeakPolarHBondContact O-CD 3.36Å; L111-P298 WeakPolarHBondContact O-CG 3.4Å; L112-P298 HydrophobicContact CD1-CB 4.35Å; L112-P298 HydrophobicContact CD1-CG 4.19Å; C113-P298 PolarHBondContact N-O 3.21Å; S156-P298 WeakPolarHBondContact OG-CG 3.39Å; V286-P298 HydrophobicContact CG1-CB 3.61Å; V286-P298 HydrophobicContact CG1-CG 4.4Å; T287-P298 WeakPolarHBondContact O-CA 3.45Å; W288-P298 HydrophobicContact CD2-CB 3.78Å; W288-P298 HydrophobicContact CD2-CG 4.39Å; W288-P298 HydrophobicContact CE3-CB 4.34Å; W288-P298 HydrophobicContact CG-CB 3.97Å; W288-P298 HydrophobicContact CZ2-CB 4.17Å; W288-P298 HydrophobicContact CZ2-CG 4.09Å |
| 299 | T | 82.2 | Confident | 65.4 | Low | 38 Ų | 38 | 85.9 Ų | 85.9 | 23% | 0.233 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | C113 K115 T287 | C113-T299 HydrophobicContact CB-CG2 4.43Å; C113-T299 CarbonylContact O-C 3.54Å; C113-T299 VanDerWaalsContact O-CA 3.3Å; C113-T299 WeakPolarHBondContact O-CA 3.13Å; K115-T299 HydrophobicContact CD-CG2 4.3Å; K115-T299 HydrophobicContact CG-CG2 4.11Å; T287-T299 PolarHBondContact N-O 3.09Å; T287-T299 PolarHBondContact O-N 2.66Å; T287-T299 VanDerWaalsContact O-N 3.1Å; T287-T299 PolarHBondContact OG1-O 2.96Å |
| 300 | A | 85.2 | Confident | 66.2 | Low | 2 Ų | 2 | 83.5 Ų | 83.5 | 2% | 0.017 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C113 I114 K115 V286 | C113-A300 PolarHBondContact O-N 3.47Å; I114-A300 WeakPolarHBondContact CA-O 3.27Å; K115-A300 PolarHBondContact N-O 2.96Å; V286-A300 HydrophobicContact CG2-CB 4.08Å |
| 301 | M | 82.1 | Confident | 67.3 | Low | 126 Ų | 126 | 77 Ų | 77 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.8 | 177.8 | -166.9 | 171.8 | -175.7 | 0 | 0 | 109.8 | K115 L284 N303 | K115-M301 HydrophobicContact CB-CG 4.31Å; K115-M301 WeakPolarHBondContact O-CA 3.27Å; L284-M301 WeakPolarHBondContact CD2-O 3.2Å; M301-N303 PolarHBondContact O-N 3.29Å |
| 302 | C | 72.9 | Confident | 69 | Low | 15 Ų | 15 | 74.6 Ų | 74.6 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | trans | -71.4 | 124.6 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | K115 Y181 L284 | K115-C302 PolarHBondContact O-N 3.39Å; Y181-C302 HydrophobicContact CE2-CB 4.04Å; L284-C302 VanDerWaalsContact CD2-CA 3.49Å; L284-C302 HydrophobicContact CD2-CB 4.07Å; L284-C302 VanDerWaalsContact CD2-SG 3.59Å | ||
| 303 | N | 67.1 | Low | 70.4 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -79.3 | 152.9 | 170.9 | -68.2 | -25 | 0 | 0 | 0 | 109.2 | Y181 M301 L305 | Y181-N303 PolarHBondContact OH-N 2.92Å; Y181-N303 PolarHBondContact OH-O 2.95Å; M301-N303 PolarHBondContact O-N 3.29Å; N303-L305 VanDerWaalsContact C-N 3.3Å; N303-L305 WeakPolarHBondContact O-CD1 3.39Å; N303-L305 PolarHBondContact O-N 3.38Å | ||
| 304 | S | 57.1 | Low | 72.1 | Confident | 130 Ų | 130 | 64 Ų | 64 | 91% | 0.909 | 36% | 0.357 | S | S | * | . | trans | -69.4 | 86.2 | 179.5 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | L | 57.2 | Low | 73.7 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | trans | -67.3 | 158.4 | 171.2 | -87.6 | 77.1 | 0 | 0 | 0 | 111.3 | Y181 P281 E282 N303 K307 | Y181-L305 HydrophobicContact CE1-CD1 3.93Å; Y181-L305 HydrophobicContact CE2-CD1 4.03Å; Y181-L305 WeakPolarHBondContact OH-CD1 3.45Å; P281-L305 WeakPolarHBondContact O-CD1 3.34Å; P281-L305 WeakPolarHBondContact O-CD2 3.45Å; P281-L305 VanDerWaalsContact O-CG 3.26Å; P281-L305 WeakPolarHBondContact O-CG 3.38Å; E282-L305 HydrophobicContact CG-CD2 4.18Å; N303-L305 VanDerWaalsContact C-N 3.3Å; N303-L305 WeakPolarHBondContact O-CD1 3.39Å; N303-L305 PolarHBondContact O-N 3.38Å; L305-K307 PolarHBondContact O-N 3.29Å; L305-K307 VanDerWaalsContact O-N 3.1Å | ||
| 306 | S | 63.7 | Low | 75.2 | Confident | 107 Ų | 107 | 62.4 Ų | 62.4 | 75% | 0.748 | 36% | 0.356 | S | S | * | . | trans | -62.1 | 108.7 | 159.1 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | I308 | S306-I308 PolarHBondContact O-N 3.14Š| ||
| 307 | K | 68.8 | Low | 75.9 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 122.2 | 171.5 | -83.2 | -179.9 | -178.1 | -164.1 | 0 | 111.2 | T140 L183 T185 L305 P309 | T140-K307 PolarHBondContact OG1-NZ 2.67Å; L183-K307 HydrophobicContact CD2-CB 4.43Å; L183-K307 HydrophobicContact CD2-CD 4.24Å; L183-K307 HydrophobicContact CD2-CG 3.32Å; L183-K307 HydrophobicContact CG-CG 3.85Å; T185-K307 VanDerWaalsContact OG1-CB 3.23Å; T185-K307 WeakPolarHBondContact OG1-CB 3.43Å; T185-K307 WeakPolarHBondContact OG1-CD 3.46Å; T185-K307 WeakPolarHBondContact OG1-CG 3.47Å; L305-K307 PolarHBondContact O-N 3.29Å; L305-K307 VanDerWaalsContact O-N 3.1Å; K307-P309 WeakPolarHBondContact O-CD 3.48Å |
| 308 | I | 75.1 | Confident | 76.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.4 | 175.8 | -49.5 | 170.3 | 0 | 0 | 0 | 108.4 | L183 L184 T185 L247 S306 L310 | L183-I308 PolarHBondContact O-N 3.33Å; L184-I308 CarbonylContact C-O 3.59Å; L184-I308 WeakPolarHBondContact CA-O 3.22Å; L184-I308 HydrophobicContact CD2-CB 4.21Å; T185-I308 PolarHBondContact N-O 3.31Å; L247-I308 HydrophobicContact CD1-CB 4.21Å; L247-I308 HydrophobicContact CD1-CG2 3.52Å; L247-I308 HydrophobicContact CD2-CG2 4.4Å; L247-I308 HydrophobicContact CG-CG2 4.19Å; S306-I308 PolarHBondContact O-N 3.14Å; I308-L310 PolarHBondContact O-N 3.18Å |
| 309 | P | 77.9 | Confident | 75.9 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.5 | 179.8 | 29.5 | -32.9 | 0 | 0 | 0 | 110.5 | K307 | K307-P309 WeakPolarHBondContact O-CD 3.48Å |
| 310 | L | 82.7 | Confident | 75.8 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 145.5 | 166 | -68.4 | 167.7 | 0 | 0 | 0 | 109.2 | L184 T185 P187 W233 F246 L247 I308 | L184-L310 HydrophobicContact CB-CD1 4.17Å; L184-L310 HydrophobicContact CB-CG 4.21Å; L184-L310 HydrophobicContact CD1-CD1 4.47Å; L184-L310 HydrophobicContact CD1-CD2 4.25Å; T185-L310 WeakPolarHBondContact O-CB 3.5Å; T185-L310 PolarHBondContact O-N 3.11Å; P187-L310 WeakPolarHBondContact CB-O 3.42Å; P187-L310 WeakPolarHBondContact CD-O 3.08Å; P187-L310 VanDerWaalsContact CG-O 3.22Å; P187-L310 WeakPolarHBondContact CG-O 3.41Å; W233-L310 HydrophobicContact CB-CD1 4.09Å; W233-L310 HydrophobicContact CG-CD1 4.11Å; W233-L310 HydrophobicContact CG-CD2 4.1Å; F246-L310 WeakPolarHBondContact O-CA 3.17Å; L247-L310 HydrophobicContact CB-CD2 4.31Å; L247-L310 HydrophobicContact CD1-CD2 3.76Å; I308-L310 PolarHBondContact O-N 3.18Å |
| 311 | S | 79.2 | Confident | 75.9 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128.8 | 170 | -75.4 | 0 | 0 | 0 | 0 | 110 | S245 F246 N248 | S245-S311 CarbonylContact C-O 3.52Å; S245-S311 WeakPolarHBondContact CA-O 3.15Å; S245-S311 WeakPolarHBondContact CB-O 3.1Å; F246-S311 WeakPolarHBondContact CD1-O 3.42Å; F246-S311 WeakPolarHBondContact CE1-O 3.12Å; F246-S311 PolarHBondContact N-O 3.04Å; F246-S311 PolarHBondContact O-N 3.36Å; N248-S311 WeakPolarHBondContact CB-OG 3.19Å; N248-S311 PolarHBondContact ND2-OG 3.2Å |
| 312 | L | 80.7 | Confident | 75.9 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.6 | 171.2 | -177.8 | 67.7 | 0 | 0 | 0 | 109.1 | P187 S243 H314 | P187-L312 HydrophobicContact CG-CB 3.95Å; S243-L312 VanDerWaalsContact CB-CD1 3.42Å; L312-H314 WeakPolarHBondContact CD1-O 3.42Å |
| 313 | S | 80.3 | Confident | 76.5 | Confident | 33 Ų | 33 | 71.1 Ų | 71.1 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -53.7 | 175.9 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | R232 F244 E354 | R232-S313 PolarHBondContact NE-OG 3.49Å; R232-S313 PolarHBondContact NH1-OG 2.73Å; R232-S313 PolarHBondContact NH2-OG 3.46Å; F244-S313 VanDerWaalsContact C-OG 3.25Å; F244-S313 WeakPolarHBondContact CB-OG 3.37Å; F244-S313 PolarHBondContact O-N 2.84Å; F244-S313 PolarHBondContact O-OG 3.26Å; S313-E354 PolarHBondContact OG-OE2 2.78Å |
| 314 | H | 80.8 | Confident | 77.2 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.2 | 178.4 | -60.3 | 97.1 | 0 | 0 | 0 | 107.1 | F244 L312 E354 | F244-H314 HydrophobicContact CD2-CB 4.09Å; F244-H314 WeakPolarHBondContact CD2-O 2.94Å; F244-H314 PolarHBondContact N-O 2.58Å; L312-H314 WeakPolarHBondContact CD1-O 3.42Å; H314-E354 HydrophobicContact CB-CB 4.47Å; H314-E354 IonicContact CE1-OE2 3.52Å; H314-E354 IonicContact CG-OE2 3.87Å; H314-E354 IonicContact ND1-OE2 2.8Å; H314-E354 PolarHBondContact ND1-OE2 3.05Å |
| 315 | G | 82.2 | Confident | 77.9 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 154.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I242 | I242-G315 CarbonylContact O-C 3.48Å; I242-G315 WeakPolarHBondContact O-CA 3.4Å |
| 316 | L | 82.9 | Confident | 78.4 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 98.8 | 170.8 | -159.7 | 84.3 | 0 | 0 | 0 | 108.1 | F241 I242 D318 | F241-L316 HydrophobicContact CB-CD2 4.5Å; F241-L316 WeakPolarHBondContact CB-O 3.16Å; F241-L316 HydrophobicContact CD1-CB 4.35Å; F241-L316 HydrophobicContact CD1-CD2 3.6Å; F241-L316 HydrophobicContact CE1-CD2 4.26Å; F241-L316 HydrophobicContact CG-CD2 4.37Å; F241-L316 PolarHBondContact N-O 2.83Å; I242-L316 HydrophobicContact CG2-CB 3.49Å; I242-L316 VanDerWaalsContact CG2-CB 3.49Å; I242-L316 PolarHBondContact O-N 2.91Å; L316-D318 HydrophobicContact CD2-CB 4.39Å; L316-D318 PolarHBondContact O-N 3.5Å; L316-D318 VanDerWaalsContact O-N 3.07Å |
| 317 | A | 78.2 | Confident | 78.8 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 72% | 0.719 | 36% | 0.361 | S | S | * | . | trans | -80 | 83.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 318 | D | 80.9 | Confident | 79.5 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -121.7 | 89.3 | 174.7 | -172.1 | -11.6 | 0 | 0 | 0 | 109.5 | F241 L316 R320 R321 | F241-D318 HydrophobicContact CB-CB 4.33Å; L316-D318 HydrophobicContact CD2-CB 4.39Å; L316-D318 PolarHBondContact O-N 3.5Å; L316-D318 VanDerWaalsContact O-N 3.07Å; D318-R320 PolarHBondContact O-N 2.86Å; D318-R320 PolarHBondContact OD1-N 3Å; D318-R321 HydrophobicContact CB-CB 3.94Å; D318-R321 VanDerWaalsContact CG-CB 3.44Å; D318-R321 PolarHBondContact O-N 2.8Å; D318-R321 VanDerWaalsContact O-N 3.07Å; D318-R321 VanDerWaalsContact O-O 3.04Å; D318-R321 PolarHBondContact OD1-N 2.98Å; D318-R321 WeakPolarHBondContact OD2-CB 3.41Å; D318-R321 IonicContact OD2-CZ 2.78Å; D318-R321 IonicContact OD2-NE 3.35Å; D318-R321 PolarHBondContact OD2-NE 3.37Å; D318-R321 IonicContact OD2-NH2 2.65Å; D318-R321 PolarHBondContact OD2-NH2 3.29Å | ||
| 319 | S | 76 | Confident | 80.1 | Confident | 89 Ų | 89 | 57 Ų | 57 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.1 | -172.7 | 57 | 0 | 0 | 0 | 0 | 114.7 | ||
| 320 | R | 81.3 | Confident | 80.4 | Confident | 211 Ų | 211 | 53.8 Ų | 53.8 | 80% | 0.796 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -18.7 | 176 | -65.1 | -174.9 | -178.6 | -173.3 | 0.7 | 112.1 | D318 | D318-R320 PolarHBondContact O-N 2.86Å; D318-R320 PolarHBondContact OD1-N 3Å |
| 321 | R | 86.1 | Confident | 80.3 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 6% | 0.06 | 32% | 0.316 | C | S | . | . | trans | -98.2 | 127.3 | -177.5 | -168.3 | -170.4 | -55.8 | -135.5 | 1.9 | 109 | F241 D318 D341 L343 | F241-R321 HydrophobicContact CD2-CB 4Å; F241-R321 VanDerWaalsContact CD2-CD 3.49Å; F241-R321 HydrophobicContact CD2-CG 3.51Å; F241-R321 VanDerWaalsContact CE2-CD 3.43Å; F241-R321 HydrophobicContact CE2-CG 3.56Å; F241-R321 HydrophobicContact CG-CB 4.38Å; F241-R321 HydrophobicContact CG-CG 4.11Å; F241-R321 HydrophobicContact CZ-CG 4.22Å; D318-R321 HydrophobicContact CB-CB 3.94Å; D318-R321 VanDerWaalsContact CG-CB 3.44Å; D318-R321 PolarHBondContact O-N 2.8Å; D318-R321 VanDerWaalsContact O-N 3.07Å; D318-R321 VanDerWaalsContact O-O 3.04Å; D318-R321 PolarHBondContact OD1-N 2.98Å; D318-R321 WeakPolarHBondContact OD2-CB 3.41Å; D318-R321 IonicContact OD2-CZ 2.78Å; D318-R321 IonicContact OD2-NE 3.35Å; D318-R321 PolarHBondContact OD2-NE 3.37Å; D318-R321 IonicContact OD2-NH2 2.65Å; D318-R321 PolarHBondContact OD2-NH2 3.29Å; R321-D341 VanDerWaalsContact CD-OD2 3.23Å; R321-D341 WeakPolarHBondContact CD-OD2 3.46Å; R321-D341 HydrophobicContact CG-CB 3.57Å; R321-D341 IonicContact CZ-OD2 3.24Å; R321-D341 VanDerWaalsContact CZ-OD2 3.24Å; R321-D341 IonicContact NE-OD2 2.79Å; R321-D341 PolarHBondContact NE-OD2 2.84Å; R321-D341 IonicContact NH1-OD2 3.58Å; R321-D341 PolarHBondContact NH1-OD2 2.78Å; R321-L343 HydrophobicContact CB-CD1 4.33Å; R321-L343 HydrophobicContact CG-CD1 4.41Å | ||
| 322 | H | 83.6 | Confident | 80 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | trans | -127.9 | 157.1 | 168.9 | 59.1 | -86.2 | 0 | 0 | 0 | 109.6 | S342 | H322-S342 WeakPolarHBondContact CE1-CB 3.46Å; H322-S342 PolarHBondContact CE1-OG 3.1Å; H322-S342 PolarHBondContact N-OG 2.85Å; H322-S342 VanDerWaalsContact N-OG 3.15Å; H322-S342 WeakPolarHBondContact ND1-CB 3.48Å; H322-S342 PolarHBondContact ND1-OG 3.01Å; H322-S342 WeakPolarHBondContact NE2-CB 3.34Å; H322-S342 WeakPolarHBondContact O-CB 3.48Å; H322-S342 PolarHBondContact O-N 3.31Å; H322-S342 PolarHBondContact O-OG 2.9Å | ||
| 323 | I | 84.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 139.7 | 174.2 | -169.9 | 179.9 | 0 | 0 | 0 | 111.2 | R193 A236 V328 I339 | R193-I323 HydrophobicContact CB-CG2 3.79Å; R193-I323 HydrophobicContact CG-CG2 4.29Å; R193-I323 PolarHBondContact NH1-O 3.35Å; A236-I323 HydrophobicContact CB-CD1 4.31Å; I323-V328 HydrophobicContact CD1-CB 4.39Å; I323-V328 HydrophobicContact CD1-CG2 3.11Å; I323-V328 HydrophobicContact CG1-CG2 4.39Å; I323-I339 HydrophobicContact CD1-CG2 4.12Å; I323-I339 HydrophobicContact CG1-CG2 3.97Å |
| 324 | L | 82.5 | Confident | 78.9 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | trans | -67.5 | 159 | 172.3 | -63.5 | -173.1 | 0 | 0 | 0 | 112.3 | S326 G327 P340 | L324-S326 WeakPolarHBondContact CB-OG 3.44Å; L324-S326 PolarHBondContact O-N 3.03Å; L324-G327 PolarHBondContact O-N 2.95Å; L324-P340 HydrophobicContact CB-CG 4.38Å; L324-P340 HydrophobicContact CD1-CB 3.96Å; L324-P340 HydrophobicContact CD1-CG 4.46Å; L324-P340 HydrophobicContact CG-CB 4.43Å; L324-P340 PolarHBondContact N-O 3.27Å | ||
| 325 | S | 70.7 | Confident | 78.8 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.8 | 173.3 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | G327 | S325-G327 PolarHBondContact O-N 2.87Å; S325-G327 VanDerWaalsContact O-N 3.09Å |
| 326 | S | 67.3 | Low | 79.1 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.5 | 175 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | L324 A366 | L324-S326 WeakPolarHBondContact CB-OG 3.44Å; L324-S326 PolarHBondContact O-N 3.03Å; S326-A366 PolarHBondContact OG-O 3.09Å |
| 327 | G | 73.8 | Confident | 79.4 | Confident | 21 Ų | 21 | 47 Ų | 47 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | trans | 95.2 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L324 S325 P340 | L324-G327 PolarHBondContact O-N 2.95Å; S325-G327 PolarHBondContact O-N 2.87Å; S325-G327 VanDerWaalsContact O-N 3.09Å; G327-P340 WeakPolarHBondContact O-CD 3.27Å; G327-P340 WeakPolarHBondContact O-CG 3.44Å | ||
| 328 | V | 83.5 | Confident | 80.1 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | trans | -97.7 | 134.6 | 169.7 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | Y194 A236 I323 L337 I339 | Y194-V328 HydrophobicContact CD1-CB 3.67Å; Y194-V328 HydrophobicContact CD1-CG1 4.3Å; Y194-V328 HydrophobicContact CD1-CG2 3.45Å; Y194-V328 VanDerWaalsContact CD1-CG2 3.45Å; Y194-V328 HydrophobicContact CD2-CB 4.23Å; Y194-V328 HydrophobicContact CD2-CG2 4.21Å; Y194-V328 HydrophobicContact CE1-CB 3.54Å; Y194-V328 HydrophobicContact CE1-CG1 3.95Å; Y194-V328 HydrophobicContact CE1-CG2 3.9Å; Y194-V328 HydrophobicContact CE2-CB 4.1Å; Y194-V328 HydrophobicContact CG-CB 4.01Å; Y194-V328 HydrophobicContact CG-CG2 3.62Å; A236-V328 HydrophobicContact CB-CG2 4.45Å; I323-V328 HydrophobicContact CD1-CB 4.39Å; I323-V328 HydrophobicContact CD1-CG2 3.11Å; I323-V328 HydrophobicContact CG1-CG2 4.39Å; V328-L337 HydrophobicContact CG1-CB 4.13Å; V328-L337 HydrophobicContact CG1-CD2 4.21Å; V328-I339 HydrophobicContact CG1-CG1 3.88Å; V328-I339 HydrophobicContact CG2-CG1 4.07Å; V328-I339 HydrophobicContact CG2-CG2 4.35Å | ||
| 329 | A | 87 | Confident | 80.5 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 137.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L337 A338 V368 F370 Q431 | A329-L337 WeakPolarHBondContact O-CA 3.08Å; A329-A338 HydrophobicContact CB-CB 4.26Å; A329-A338 PolarHBondContact N-O 2.86Å; A329-A338 PolarHBondContact O-N 2.87Å; A329-V368 HydrophobicContact CB-CB 4.3Å; A329-V368 HydrophobicContact CB-CG2 3.73Å; A329-V368 WeakPolarHBondContact CB-O 3.23Å; A329-F370 HydrophobicContact CB-CD2 3.83Å; A329-F370 HydrophobicContact CB-CE2 3.99Å; A329-F370 WeakPolarHBondContact O-CE2 3.28Å; A329-Q431 VanDerWaalsContact CB-OE1 3.23Å |
| 330 | I | 83.3 | Confident | 81.3 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.8 | 175.1 | -53.3 | 177.9 | 0 | 0 | 0 | 107.4 | Y194 S196 H334 L337 F370 Q431 | Y194-I330 HydrophobicContact CE1-CD1 4.08Å; Y194-I330 HydrophobicContact CE1-CG1 4.33Å; Y194-I330 WeakPolarHBondContact OH-CD1 3.31Å; Y194-I330 VanDerWaalsContact OH-CG1 3.3Å; Y194-I330 WeakPolarHBondContact OH-CG1 3.41Å; S196-I330 WeakPolarHBondContact OG-CD1 3.28Å; I330-H334 HydrophobicContact CG2-CB 4.44Å; I330-L337 HydrophobicContact CB-CD2 4.07Å; I330-L337 HydrophobicContact CD1-CD2 4.38Å; I330-L337 HydrophobicContact CG1-CD2 3.61Å; I330-L337 HydrophobicContact CG2-CD2 3.89Å; I330-F370 VanDerWaalsContact C-CD2 3.42Å; I330-Q431 PolarHBondContact O-NE2 2.9Å |
| 331 | S | 82 | Confident | 81.7 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -64.6 | 154.6 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | D333 H334 H335 W336 F370 | S331-D333 WeakPolarHBondContact CB-OD1 3.37Å; S331-D333 PolarHBondContact O-N 2.83Å; S331-D333 VanDerWaalsContact O-N 3.1Å; S331-D333 PolarHBondContact OG-OD1 2.74Å; S331-H334 WeakPolarHBondContact O-CA 3.45Å; S331-H334 PolarHBondContact O-N 2.86Å; S331-H335 PolarHBondContact OG-N 2.66Å; S331-W336 PolarHBondContact N-O 2.89Å; S331-W336 WeakPolarHBondContact OG-CA 3.16Å; S331-W336 WeakPolarHBondContact OG-CB 3.21Å; S331-W336 PolarHBondContact OG-N 2.8Å; S331-W336 PolarHBondContact OG-O 2.83Å; S331-F370 VanDerWaalsContact N-CD2 3.28Å | ||
| 332 | P | 72 | Confident | 81.7 | Confident | 24 Ų | 24 | 27.7 Ų | 27.7 | 16% | 0.156 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | -177.3 | -20.4 | 31.7 | 0 | 0 | 0 | 114.8 | L395 | P332-L395 HydrophobicContact CG-CD1 4.43Š|
| 333 | D | 66.4 | Low | 82 | Confident | 71 Ų | 71 | 28.1 Ų | 28.1 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.1 | 172.9 | 64.6 | -4.1 | 0 | 0 | 0 | 113.6 | S331 H335 | S331-D333 WeakPolarHBondContact CB-OD1 3.37Å; S331-D333 PolarHBondContact O-N 2.83Å; S331-D333 VanDerWaalsContact O-N 3.1Å; S331-D333 PolarHBondContact OG-OD1 2.74Å; D333-H335 PolarHBondContact O-N 3.11Å; D333-H335 VanDerWaalsContact O-N 3.09Å; D333-H335 PolarHBondContact O-ND1 2.86Å; D333-H335 PolarHBondContact OD1-N 3.36Å; D333-H335 VanDerWaalsContact OD1-N 3.14Å; D333-H335 IonicContact OD2-CD2 3.23Å; D333-H335 IonicContact OD2-CG 2.86Å |
| 334 | H | 72.3 | Confident | 82.3 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 59.4 | 9.8 | -175.8 | -65.9 | -93.6 | 0 | 0 | 0 | 115.3 | L198 I330 S331 N436 | L198-H334 HydrophobicContact CD1-CB 3.98Å; L198-H334 WeakPolarHBondContact CD1-O 3.31Å; I330-H334 HydrophobicContact CG2-CB 4.44Å; S331-H334 WeakPolarHBondContact O-CA 3.45Å; S331-H334 PolarHBondContact O-N 2.86Å; H334-N436 PolarHBondContact NE2-ND2 2.82Å |
| 335 | H | 78 | Confident | 82.7 | Confident | 62 Ų | 62 | 31 Ų | 31 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -85.8 | -25 | -177.7 | -69.2 | -8.8 | 0 | 0 | 0 | 113.7 | S331 D333 A351 | S331-H335 PolarHBondContact OG-N 2.66Å; D333-H335 PolarHBondContact O-N 3.11Å; D333-H335 VanDerWaalsContact O-N 3.09Å; D333-H335 PolarHBondContact O-ND1 2.86Å; D333-H335 PolarHBondContact OD1-N 3.36Å; D333-H335 VanDerWaalsContact OD1-N 3.14Å; D333-H335 IonicContact OD2-CD2 3.23Å; D333-H335 IonicContact OD2-CG 2.86Å; H335-A351 WeakPolarHBondContact O-CB 3.41Å; H335-A351 PolarHBondContact O-N 2.92Å |
| 336 | W | 88 | Confident | 83.8 | Confident | 35 Ų | 35 | 25.5 Ų | 25.5 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.7 | -175.2 | -57.2 | 97 | 0 | 0 | 0 | 111 | S331 L348 V349 D350 V357 F370 L395 I413 | S331-W336 PolarHBondContact N-O 2.89Å; S331-W336 WeakPolarHBondContact OG-CA 3.16Å; S331-W336 WeakPolarHBondContact OG-CB 3.21Å; S331-W336 PolarHBondContact OG-N 2.8Å; S331-W336 PolarHBondContact OG-O 2.83Å; W336-L348 HydrophobicContact CB-CD1 4.16Å; W336-L348 HydrophobicContact CE3-CD1 3.96Å; W336-L348 HydrophobicContact CE3-CD2 4.01Å; W336-L348 HydrophobicContact CE3-CG 3.81Å; W336-L348 HydrophobicContact CZ3-CD2 4.15Å; W336-L348 HydrophobicContact CZ3-CG 4.24Å; W336-V349 WeakPolarHBondContact CA-O 3.43Å; W336-D350 HydrophobicContact CE3-CB 4.25Å; W336-D350 HydrophobicContact CH2-CB 4.14Å; W336-D350 HydrophobicContact CZ3-CB 3.69Å; W336-V357 HydrophobicContact CZ3-CB 4.29Å; W336-V357 HydrophobicContact CZ3-CG2 3.99Å; W336-F370 HydrophobicContact CB-CE1 3.75Å; W336-F370 HydrophobicContact CB-CZ 3.62Å; W336-L395 HydrophobicContact CG-CD2 4.46Å; W336-I413 HydrophobicContact CH2-CD1 3.34Å; W336-I413 HydrophobicContact CH2-CG1 3.69Å; W336-I413 HydrophobicContact CZ2-CD1 3.5Å; W336-I413 HydrophobicContact CZ2-CG1 4.07Å; W336-I413 HydrophobicContact CZ3-CD1 4.29Å; W336-I413 HydrophobicContact CZ3-CG1 4.17Å |
| 337 | L | 89.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.8 | 171.1 | -52.8 | 167 | 0 | 0 | 0 | 108.6 | I234 V328 A329 I330 I339 L348 V349 A351 | I234-L337 HydrophobicContact CB-CD1 4.41Å; I234-L337 HydrophobicContact CD1-CD1 3.83Å; I234-L337 HydrophobicContact CG2-CD1 3.76Å; V328-L337 HydrophobicContact CG1-CB 4.13Å; V328-L337 HydrophobicContact CG1-CD2 4.21Å; A329-L337 WeakPolarHBondContact O-CA 3.08Å; I330-L337 HydrophobicContact CB-CD2 4.07Å; I330-L337 HydrophobicContact CD1-CD2 4.38Å; I330-L337 HydrophobicContact CG1-CD2 3.61Å; I330-L337 HydrophobicContact CG2-CD2 3.89Å; L337-I339 HydrophobicContact CB-CG1 4.33Å; L337-L348 WeakPolarHBondContact O-CA 3.4Å; L337-V349 HydrophobicContact CB-CB 4.16Å; L337-V349 PolarHBondContact N-O 2.81Å; L337-V349 PolarHBondContact O-N 2.87Å; L337-A351 HydrophobicContact CD1-CB 4.41Å; L337-A351 HydrophobicContact CG-CB 4.48Å |
| 338 | A | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | A329 L347 V368 F370 L397 | A329-A338 HydrophobicContact CB-CB 4.26Å; A329-A338 PolarHBondContact N-O 2.86Å; A329-A338 PolarHBondContact O-N 2.87Å; A338-L347 CarbonylContact C-O 3.58Å; A338-L347 WeakPolarHBondContact CA-O 3.41Å; A338-V368 HydrophobicContact CB-CB 4.15Å; A338-V368 HydrophobicContact CB-CG2 3.99Å; A338-F370 HydrophobicContact CB-CE2 3.85Å; A338-F370 HydrophobicContact CB-CZ 3.91Å; A338-L397 HydrophobicContact CB-CD1 3.57Å; A338-L397 HydrophobicContact CB-CD2 4.26Å |
| 339 | I | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 109.6 | -173.2 | -52.4 | 177.7 | 0 | 0 | 0 | 108.9 | F241 I242 I323 V328 L337 L347 V349 | F241-I339 HydrophobicContact CE1-CG2 4.25Å; F241-I339 HydrophobicContact CE2-CG2 4.22Å; F241-I339 HydrophobicContact CZ-CB 4.36Å; F241-I339 HydrophobicContact CZ-CG2 3.53Å; I242-I339 HydrophobicContact CD1-CD1 3.66Å; I242-I339 HydrophobicContact CG1-CD1 4.44Å; I323-I339 HydrophobicContact CD1-CG2 4.12Å; I323-I339 HydrophobicContact CG1-CG2 3.97Å; V328-I339 HydrophobicContact CG1-CG1 3.88Å; V328-I339 HydrophobicContact CG2-CG1 4.07Å; V328-I339 HydrophobicContact CG2-CG2 4.35Å; L337-I339 HydrophobicContact CB-CG1 4.33Å; I339-L347 PolarHBondContact N-O 2.92Å; I339-L347 PolarHBondContact O-N 2.83Å; I339-V349 HydrophobicContact CD1-CG2 3.98Å; I339-V349 HydrophobicContact CG1-CG2 4.48Å |
| 340 | P | 91.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136 | 170.1 | 34.2 | -33.2 | 0 | 0 | 0 | 110.2 | L324 G327 R345 V346 A366 V368 | L324-P340 HydrophobicContact CB-CG 4.38Å; L324-P340 HydrophobicContact CD1-CB 3.96Å; L324-P340 HydrophobicContact CD1-CG 4.46Å; L324-P340 HydrophobicContact CG-CB 4.43Å; L324-P340 PolarHBondContact N-O 3.27Å; G327-P340 WeakPolarHBondContact O-CD 3.27Å; G327-P340 WeakPolarHBondContact O-CG 3.44Å; P340-R345 CarbonylContact C-O 3.58Å; P340-R345 WeakPolarHBondContact CA-O 3.36Å; P340-V346 HydrophobicContact CB-CG2 4.34Å; P340-A366 WeakPolarHBondContact CB-O 3.27Å; P340-V368 HydrophobicContact CG-CG2 4.22Å |
| 341 | D | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 162.9 | -175.4 | 79.6 | 15.2 | 0 | 0 | 0 | 113.9 | F241 R321 L343 G344 R345 L347 | F241-D341 HydrophobicContact CE2-CB 3.99Å; F241-D341 HydrophobicContact CZ-CB 4.1Å; R321-D341 VanDerWaalsContact CD-OD2 3.23Å; R321-D341 WeakPolarHBondContact CD-OD2 3.46Å; R321-D341 HydrophobicContact CG-CB 3.57Å; R321-D341 IonicContact CZ-OD2 3.24Å; R321-D341 VanDerWaalsContact CZ-OD2 3.24Å; R321-D341 IonicContact NE-OD2 2.79Å; R321-D341 PolarHBondContact NE-OD2 2.84Å; R321-D341 IonicContact NH1-OD2 3.58Å; R321-D341 PolarHBondContact NH1-OD2 2.78Å; D341-L343 PolarHBondContact O-N 2.81Å; D341-L343 VanDerWaalsContact O-N 3.09Å; D341-L343 WeakPolarHBondContact OD1-CA 3.34Å; D341-L343 WeakPolarHBondContact OD1-CB 3.11Å; D341-L343 PolarHBondContact OD1-N 2.83Å; D341-G344 PolarHBondContact O-N 3.18Å; D341-G344 PolarHBondContact OD1-N 3.31Å; D341-R345 PolarHBondContact N-O 3.02Å; D341-R345 WeakPolarHBondContact OD1-CB 3.49Å; D341-R345 PolarHBondContact OD1-N 2.95Å; D341-L347 HydrophobicContact CB-CD1 4.18Å |
| 342 | S | 87.7 | Confident | 86.2 | Confident | 36 Ų | 36 | 23 Ų | 23 | 25% | 0.252 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -4.9 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | H322 | H322-S342 WeakPolarHBondContact CE1-CB 3.46Å; H322-S342 PolarHBondContact CE1-OG 3.1Å; H322-S342 PolarHBondContact N-OG 2.85Å; H322-S342 VanDerWaalsContact N-OG 3.15Å; H322-S342 WeakPolarHBondContact ND1-CB 3.48Å; H322-S342 PolarHBondContact ND1-OG 3.01Å; H322-S342 WeakPolarHBondContact NE2-CB 3.34Å; H322-S342 WeakPolarHBondContact O-CB 3.48Å; H322-S342 PolarHBondContact O-N 3.31Å; H322-S342 PolarHBondContact O-OG 2.9Å |
| 343 | L | 89.7 | Confident | 86.6 | Confident | 84 Ų | 84 | 29.5 Ų | 29.5 | 44% | 0.44 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.2 | -179.7 | -58.4 | 178.4 | 0 | 0 | 0 | 111.8 | R321 D341 | R321-L343 HydrophobicContact CB-CD1 4.33Å; R321-L343 HydrophobicContact CG-CD1 4.41Å; D341-L343 PolarHBondContact O-N 2.81Å; D341-L343 VanDerWaalsContact O-N 3.09Å; D341-L343 WeakPolarHBondContact OD1-CA 3.34Å; D341-L343 WeakPolarHBondContact OD1-CB 3.11Å; D341-L343 PolarHBondContact OD1-N 2.83Å |
| 344 | G | 89.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D341 G362 Y363 | D341-G344 PolarHBondContact O-N 3.18Å; D341-G344 PolarHBondContact OD1-N 3.31Å; G344-G362 CarbonylContact O-C 3.59Å; G344-G362 PolarHBondContact O-N 3.2Å; G344-Y363 CarbonylContact C-O 3.42Å; G344-Y363 VanDerWaalsContact C-O 3.3Å; G344-Y363 VanDerWaalsContact CA-O 3.3Å; G344-Y363 WeakPolarHBondContact CA-O 3.35Å; G344-Y363 PolarHBondContact O-N 2.95Å |
| 345 | R | 92.2 | Very high | 88.1 | Confident | 78 Ų | 78 | 32 Ų | 32 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.4 | 178.1 | -47.8 | 173.2 | 175.8 | -178.9 | 2.2 | 110.5 | P340 D341 M359 W360 K361 | P340-R345 CarbonylContact C-O 3.58Å; P340-R345 WeakPolarHBondContact CA-O 3.36Å; D341-R345 PolarHBondContact N-O 3.02Å; D341-R345 WeakPolarHBondContact OD1-CB 3.49Å; D341-R345 PolarHBondContact OD1-N 2.95Å; R345-M359 HydrophobicContact CB-CG 4.21Å; R345-W360 CarbonylContact C-O 3.5Å; R345-W360 WeakPolarHBondContact CA-O 3.42Å; R345-W360 WeakPolarHBondContact CB-O 3.45Å; R345-K361 HydrophobicContact CG-CG 4.48Å |
| 346 | V | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.6 | 169.1 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | P340 M359 W360 Y363 A366 V368 L397 I399 | P340-V346 HydrophobicContact CB-CG2 4.34Å; V346-M359 CarbonylContact O-C 3.58Å; V346-M359 VanDerWaalsContact O-CA 3.27Å; V346-M359 WeakPolarHBondContact O-CA 3.2Å; V346-W360 HydrophobicContact CB-CB 4.31Å; V346-W360 HydrophobicContact CB-CE3 4.03Å; V346-W360 HydrophobicContact CG1-CE3 3.89Å; V346-W360 HydrophobicContact CG1-CZ3 4.22Å; V346-W360 PolarHBondContact N-O 2.7Å; V346-W360 PolarHBondContact O-N 3.39Å; V346-Y363 HydrophobicContact CG2-CG 4.45Å; V346-A366 HydrophobicContact CG2-CB 3.98Å; V346-V368 HydrophobicContact CG1-CG1 3.72Å; V346-V368 HydrophobicContact CG2-CG1 4.01Å; V346-L397 HydrophobicContact CG1-CD2 4.32Å; V346-I399 HydrophobicContact CG1-CD1 4.47Å; V346-I399 HydrophobicContact CG2-CG2 4.21Å |
| 347 | L | 92.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.7 | 177.1 | -61.6 | 116.6 | 0 | 0 | 0 | 110.4 | F241 A338 I339 D341 V349 V356 M359 | F241-L347 HydrophobicContact CE1-CD1 3.65Å; F241-L347 HydrophobicContact CZ-CD1 3.54Å; A338-L347 CarbonylContact C-O 3.58Å; A338-L347 WeakPolarHBondContact CA-O 3.41Å; I339-L347 PolarHBondContact N-O 2.92Å; I339-L347 PolarHBondContact O-N 2.83Å; D341-L347 HydrophobicContact CB-CD1 4.18Å; L347-V349 HydrophobicContact CB-CG2 4.43Å; L347-V356 HydrophobicContact CB-CG1 4.32Å; L347-V356 HydrophobicContact CD2-CB 4.44Å; L347-V356 HydrophobicContact CD2-CG1 3.71Å; L347-V356 HydrophobicContact CD2-CG2 3.83Å; L347-M359 HydrophobicContact CD2-CE 3.43Å; L347-M359 VanDerWaalsContact CD2-CE 3.43Å; L347-M359 HydrophobicContact CG-CE 4.13Å |
| 348 | L | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.4 | 164.8 | -173.5 | 65.2 | 0 | 0 | 0 | 109.2 | W336 L337 V356 V357 R358 W360 F370 L412 I413 | W336-L348 HydrophobicContact CB-CD1 4.16Å; W336-L348 HydrophobicContact CE3-CD1 3.96Å; W336-L348 HydrophobicContact CE3-CD2 4.01Å; W336-L348 HydrophobicContact CE3-CG 3.81Å; W336-L348 HydrophobicContact CZ3-CD2 4.15Å; W336-L348 HydrophobicContact CZ3-CG 4.24Å; L337-L348 WeakPolarHBondContact O-CA 3.4Å; L348-V356 CarbonylContact O-C 3.59Å; L348-V356 WeakPolarHBondContact O-CA 3.14Å; L348-V357 PolarHBondContact O-N 3.47Å; L348-R358 HydrophobicContact CB-CB 3.95Å; L348-R358 HydrophobicContact CD2-CB 4.26Å; L348-R358 PolarHBondContact N-O 3.38Å; L348-R358 PolarHBondContact O-N 3.2Å; L348-W360 HydrophobicContact CB-CH2 3.99Å; L348-W360 HydrophobicContact CB-CZ3 3.73Å; L348-W360 HydrophobicContact CD2-CH2 4.3Å; L348-F370 HydrophobicContact CD1-CE1 4.22Å; L348-F370 HydrophobicContact CD1-CZ 4.04Å; L348-L412 HydrophobicContact CD1-CD2 3.89Å; L348-L412 HydrophobicContact CD2-CB 4.15Å; L348-L412 HydrophobicContact CD2-CD2 4.15Å; L348-L412 WeakPolarHBondContact CD2-O 3.37Å; L348-I413 HydrophobicContact CD2-CG1 4.44Å |
| 349 | V | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.5 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | I242 F244 W336 L337 I339 L347 V356 | I242-V349 HydrophobicContact CD1-CG1 3.92Å; I242-V349 HydrophobicContact CD1-CG2 4.14Å; F244-V349 HydrophobicContact CE1-CG1 4.21Å; F244-V349 HydrophobicContact CZ-CG1 3.65Å; W336-V349 WeakPolarHBondContact CA-O 3.43Å; L337-V349 HydrophobicContact CB-CB 4.16Å; L337-V349 PolarHBondContact N-O 2.81Å; L337-V349 PolarHBondContact O-N 2.87Å; I339-V349 HydrophobicContact CD1-CG2 3.98Å; I339-V349 HydrophobicContact CG1-CG2 4.48Å; L347-V349 HydrophobicContact CB-CG2 4.43Å; V349-V356 HydrophobicContact CG2-CG2 4.21Å |
| 350 | D | 88.6 | Confident | 88.9 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 106.4 | 168.3 | -178.9 | -25.3 | 0 | 0 | 0 | 107.3 | W336 C352 R353 E354 R355 V357 | W336-D350 HydrophobicContact CE3-CB 4.25Å; W336-D350 HydrophobicContact CH2-CB 4.14Å; W336-D350 HydrophobicContact CZ3-CB 3.69Å; D350-C352 VanDerWaalsContact C-N 3.31Å; D350-C352 WeakPolarHBondContact OD1-CB 3.18Å; D350-C352 PolarHBondContact OD1-N 2.71Å; D350-R353 HydrophobicContact CB-CB 4.26Å; D350-R353 PolarHBondContact OD1-N 3.44Å; D350-R353 WeakPolarHBondContact OD2-CB 3.46Å; D350-R353 WeakPolarHBondContact OD2-CD 3.46Å; D350-R353 VanDerWaalsContact OD2-CG 3.23Å; D350-R353 WeakPolarHBondContact OD2-CG 3.42Å; D350-R353 IonicContact OD2-NE 2.76Å; D350-R353 IonicContact OD2-NH1 3.36Å; D350-R353 PolarHBondContact OD2-NH1 3.37Å; D350-E354 WeakPolarHBondContact O-CA 3.45Å; D350-E354 PolarHBondContact O-N 3.14Å; D350-R355 HydrophobicContact CB-CG 4.47Å; D350-R355 PolarHBondContact N-O 2.85Å; D350-R355 PolarHBondContact O-N 2.71Å; D350-V357 HydrophobicContact CB-CG2 3.52Å |
| 351 | A | 82.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -32.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L198 I234 H335 L337 | L198-A351 HydrophobicContact CD2-CB 3.61Å; I234-A351 HydrophobicContact CD1-CB 3.49Å; I234-A351 VanDerWaalsContact CD1-CB 3.49Å; H335-A351 WeakPolarHBondContact O-CB 3.41Å; H335-A351 PolarHBondContact O-N 2.92Å; L337-A351 HydrophobicContact CD1-CB 4.41Å; L337-A351 HydrophobicContact CG-CB 4.48Å |
| 352 | C | 78.2 | Confident | 88.9 | Confident | 44 Ų | 44 | 48 Ų | 48 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -44.8 | 177.7 | -70.4 | 0 | 0 | 0 | 0 | 112 | D350 | D350-C352 VanDerWaalsContact C-N 3.31Å; D350-C352 WeakPolarHBondContact OD1-CB 3.18Å; D350-C352 PolarHBondContact OD1-N 2.71Å |
| 353 | R | 79.9 | Confident | 89.1 | Confident | 160 Ų | 160 | 47.2 Ų | 47.2 | 60% | 0.604 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.1 | 179.3 | -59.9 | -171.3 | -179.1 | 137.1 | -11.2 | 114.1 | D350 R355 | D350-R353 HydrophobicContact CB-CB 4.26Å; D350-R353 PolarHBondContact OD1-N 3.44Å; D350-R353 WeakPolarHBondContact OD2-CB 3.46Å; D350-R353 WeakPolarHBondContact OD2-CD 3.46Å; D350-R353 VanDerWaalsContact OD2-CG 3.23Å; D350-R353 WeakPolarHBondContact OD2-CG 3.42Å; D350-R353 IonicContact OD2-NE 2.76Å; D350-R353 IonicContact OD2-NH1 3.36Å; D350-R353 PolarHBondContact OD2-NH1 3.37Å; R353-R355 VanDerWaalsContact C-N 3.28Å; R353-R355 HydrophobicContact CB-CG 4.05Å; R353-R355 PolarHBondContact O-N 3.46Å |
| 354 | E | 83.3 | Confident | 88.9 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 38.5 | 172.6 | -57.6 | 168.3 | -158.2 | 0 | 0 | 113.3 | K200 R232 F244 S313 H314 D350 | K200-E354 VanDerWaalsContact CE-OE1 3.3Å; K200-E354 WeakPolarHBondContact CE-OE1 3.49Å; K200-E354 IonicContact NZ-OE1 3.69Å; K200-E354 PolarHBondContact NZ-OE1 3.18Å; R232-E354 IonicContact CZ-OE1 2.77Å; R232-E354 IonicContact CZ-OE2 2.78Å; R232-E354 IonicContact NE-OE1 2.99Å; R232-E354 PolarHBondContact NE-OE1 3.3Å; R232-E354 IonicContact NE-OE2 2.81Å; R232-E354 PolarHBondContact NE-OE2 3.48Å; R232-E354 IonicContact NH2-OE1 3.87Å; R232-E354 PolarHBondContact NH2-OE1 3.05Å; R232-E354 IonicContact NH2-OE2 3.89Å; R232-E354 PolarHBondContact NH2-OE2 3.3Å; F244-E354 HydrophobicContact CB-CB 4.44Å; F244-E354 HydrophobicContact CB-CG 4.14Å; F244-E354 HydrophobicContact CD1-CB 3.96Å; F244-E354 HydrophobicContact CD1-CG 3.73Å; F244-E354 HydrophobicContact CD2-CB 3.96Å; F244-E354 HydrophobicContact CD2-CG 4.47Å; F244-E354 HydrophobicContact CE1-CB 4.17Å; F244-E354 HydrophobicContact CE1-CG 4.25Å; F244-E354 HydrophobicContact CE2-CB 4.16Å; F244-E354 HydrophobicContact CG-CB 3.86Å; F244-E354 HydrophobicContact CG-CG 3.87Å; F244-E354 HydrophobicContact CZ-CB 4.26Å; S313-E354 PolarHBondContact OG-OE2 2.78Å; H314-E354 HydrophobicContact CB-CB 4.47Å; H314-E354 IonicContact CE1-OE2 3.52Å; H314-E354 IonicContact CG-OE2 3.87Å; H314-E354 IonicContact ND1-OE2 2.8Å; H314-E354 PolarHBondContact ND1-OE2 3.05Å; D350-E354 WeakPolarHBondContact O-CA 3.45Å; D350-E354 PolarHBondContact O-N 3.14Å |
| 355 | R | 86.4 | Confident | 88.7 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 50% | 0.502 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.7 | -174.5 | 69 | -177.3 | -175.7 | 175.5 | 1.7 | 112.7 | D350 R353 V357 | D350-R355 HydrophobicContact CB-CG 4.47Å; D350-R355 PolarHBondContact N-O 2.85Å; D350-R355 PolarHBondContact O-N 2.71Å; R353-R355 VanDerWaalsContact C-N 3.28Å; R353-R355 HydrophobicContact CB-CG 4.05Å; R353-R355 PolarHBondContact O-N 3.46Å; R355-V357 HydrophobicContact CG-CG2 4.16Å |
| 356 | V | 89.1 | Confident | 88.6 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 33% | 0.327 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.5 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | L347 L348 V349 | L347-V356 HydrophobicContact CB-CG1 4.32Å; L347-V356 HydrophobicContact CD2-CB 4.44Å; L347-V356 HydrophobicContact CD2-CG1 3.71Å; L347-V356 HydrophobicContact CD2-CG2 3.83Å; L348-V356 CarbonylContact O-C 3.59Å; L348-V356 WeakPolarHBondContact O-CA 3.14Å; V349-V356 HydrophobicContact CG2-CG2 4.21Å |
| 357 | V | 90.1 | Very high | 88.5 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.297 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -31 | -178.5 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | W336 L348 D350 R355 I413 | W336-V357 HydrophobicContact CZ3-CB 4.29Å; W336-V357 HydrophobicContact CZ3-CG2 3.99Å; L348-V357 PolarHBondContact O-N 3.47Å; D350-V357 HydrophobicContact CB-CG2 3.52Å; R355-V357 HydrophobicContact CG-CG2 4.16Å; V357-I413 HydrophobicContact CG1-CG2 3.79Å |
| 358 | R | 92.9 | Very high | 88.5 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 18% | 0.181 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.7 | 178.9 | -165.7 | 173.1 | 179.9 | 175.8 | 1.7 | 111.7 | L348 W360 C411 L412 G415 | L348-R358 HydrophobicContact CB-CB 3.95Å; L348-R358 HydrophobicContact CD2-CB 4.26Å; L348-R358 PolarHBondContact N-O 3.38Å; L348-R358 PolarHBondContact O-N 3.2Å; R358-W360 HydrophobicContact CB-CH2 4.29Å; R358-W360 HydrophobicContact CB-CZ3 4.43Å; R358-W360 VanDerWaalsContact CD-CZ2 3.44Å; R358-W360 HydrophobicContact CG-CH2 4.15Å; R358-W360 HydrophobicContact CG-CZ2 4.13Å; R358-W360 HydrophobicContact CG-CZ3 4.41Å; R358-C411 PolarHBondContact NH1-O 2.74Å; R358-L412 WeakPolarHBondContact CD-O 3.43Å; R358-L412 PolarHBondContact NH1-O 3.05Å; R358-G415 PolarHBondContact NH1-O 3.5Å; R358-G415 PolarHBondContact NH2-O 2.64Å |
| 359 | M | 91.6 | Very high | 88.3 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.6 | 177.3 | -179.7 | -174.3 | -73.2 | 0 | 0 | 110.8 | R345 V346 L347 K361 | R345-M359 HydrophobicContact CB-CG 4.21Å; V346-M359 CarbonylContact O-C 3.58Å; V346-M359 VanDerWaalsContact O-CA 3.27Å; V346-M359 WeakPolarHBondContact O-CA 3.2Å; L347-M359 HydrophobicContact CD2-CE 3.43Å; L347-M359 VanDerWaalsContact CD2-CE 3.43Å; L347-M359 HydrophobicContact CG-CE 4.13Å; M359-K361 HydrophobicContact CG-CG 4.5Å |
| 360 | W | 93.2 | Very high | 88.3 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.7 | 170.1 | -61.3 | -101.2 | 0 | 0 | 0 | 109.6 | R345 V346 L348 R358 Y363 L397 I399 W410 | R345-W360 CarbonylContact C-O 3.5Å; R345-W360 WeakPolarHBondContact CA-O 3.42Å; R345-W360 WeakPolarHBondContact CB-O 3.45Å; V346-W360 HydrophobicContact CB-CB 4.31Å; V346-W360 HydrophobicContact CB-CE3 4.03Å; V346-W360 HydrophobicContact CG1-CE3 3.89Å; V346-W360 HydrophobicContact CG1-CZ3 4.22Å; V346-W360 PolarHBondContact N-O 2.7Å; V346-W360 PolarHBondContact O-N 3.39Å; L348-W360 HydrophobicContact CB-CH2 3.99Å; L348-W360 HydrophobicContact CB-CZ3 3.73Å; L348-W360 HydrophobicContact CD2-CH2 4.3Å; R358-W360 HydrophobicContact CB-CH2 4.29Å; R358-W360 HydrophobicContact CB-CZ3 4.43Å; R358-W360 VanDerWaalsContact CD-CZ2 3.44Å; R358-W360 HydrophobicContact CG-CH2 4.15Å; R358-W360 HydrophobicContact CG-CZ2 4.13Å; R358-W360 HydrophobicContact CG-CZ3 4.41Å; W360-Y363 HydrophobicContact CB-CD2 3.68Å; W360-Y363 HydrophobicContact CB-CE2 3.61Å; W360-Y363 HydrophobicContact CG-CE2 4.39Å; W360-L397 HydrophobicContact CE3-CD2 4.2Å; W360-L397 HydrophobicContact CH2-CD2 3.43Å; W360-L397 VanDerWaalsContact CH2-CD2 3.43Å; W360-L397 HydrophobicContact CZ2-CD2 4.05Å; W360-L397 HydrophobicContact CZ3-CD2 3.5Å; W360-I399 HydrophobicContact CB-CD1 4.4Å; W360-I399 HydrophobicContact CD2-CD1 3.91Å; W360-I399 HydrophobicContact CE3-CD1 4.29Å; W360-I399 HydrophobicContact CG-CD1 3.94Å; W360-W410 AromaticContact CD1-CD2 3.89Å; W360-W410 AromaticContact CD1-CE2 3.9Å; W360-W410 AromaticContact CD1-CE3 3.99Å; W360-W410 HydrophobicContact CZ2-CB 4.32Å; W360-W410 AromaticContact NE1-CD2 3.3Å; W360-W410 VanDerWaalsContact NE1-CD2 3.3Å; W360-W410 AromaticContact NE1-CE2 3.81Å; W360-W410 AromaticContact NE1-CE3 3.26Å; W360-W410 VanDerWaalsContact NE1-CE3 3.26Å; W360-W410 AromaticContact NE1-CG 3.78Å; W360-W410 AromaticContact NE1-CZ3 3.73Å |
| 361 | K | 92.2 | Very high | 88 | Confident | 151 Ų | 151 | 53.2 Ų | 53.2 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147 | -174.6 | -63.7 | 178.8 | -179.1 | 174.6 | 0 | 110.4 | R345 M359 Y363 | R345-K361 HydrophobicContact CG-CG 4.48Å; M359-K361 HydrophobicContact CG-CG 4.5Å; K361-Y363 WeakPolarHBondContact O-CD2 3.48Å |
| 362 | G | 89.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 94.2 | 2.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G344 R364 | G344-G362 CarbonylContact O-C 3.59Å; G344-G362 PolarHBondContact O-N 3.2Å; G362-R364 PolarHBondContact O-N 3.24Å |
| 363 | Y | 90.8 | Very high | 87.5 | Confident | 20 Ų | 20 | 53 Ų | 53 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | trans | -93.4 | 74.9 | -177.2 | -71.3 | -86.5 | 0 | 0 | 0 | 109.8 | G344 V346 W360 K361 I399 A401 E408 W410 | G344-Y363 CarbonylContact C-O 3.42Å; G344-Y363 VanDerWaalsContact C-O 3.3Å; G344-Y363 VanDerWaalsContact CA-O 3.3Å; G344-Y363 WeakPolarHBondContact CA-O 3.35Å; G344-Y363 PolarHBondContact O-N 2.95Å; V346-Y363 HydrophobicContact CG2-CG 4.45Å; W360-Y363 HydrophobicContact CB-CD2 3.68Å; W360-Y363 HydrophobicContact CB-CE2 3.61Å; W360-Y363 HydrophobicContact CG-CE2 4.39Å; K361-Y363 WeakPolarHBondContact O-CD2 3.48Å; Y363-I399 HydrophobicContact CD1-CG2 3.38Å; Y363-I399 HydrophobicContact CE1-CB 4.32Å; Y363-I399 HydrophobicContact CE1-CG2 3.64Å; Y363-I399 HydrophobicContact CG-CG2 4.14Å; Y363-A401 HydrophobicContact CD1-CB 3.81Å; Y363-A401 HydrophobicContact CE1-CB 4.09Å; Y363-E408 PolarHBondContact OH-OE2 2.88Å; Y363-W410 VanDerWaalsContact OH-CZ2 3.3Å; Y363-W410 WeakPolarHBondContact OH-CZ2 3.4Å | ||
| 364 | R | 86.9 | Confident | 86.7 | Confident | 178 Ų | 178 | 47.3 Ų | 47.3 | 67% | 0.672 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 139.6 | 175 | -68 | -177.5 | -176.3 | 144.7 | 1.2 | 109.8 | G362 A366 H403 | G362-R364 PolarHBondContact O-N 3.24Å; R364-A366 PolarHBondContact O-N 3.03Å; R364-A366 VanDerWaalsContact O-N 3.1Å; R364-H403 PolarHBondContact O-CD2 2.83Å |
| 365 | D | 85.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.6 | 179.4 | -52.5 | -41.3 | 0 | 0 | 0 | 113.2 | P402 H403 | D365-P402 WeakPolarHBondContact O-CD 3.4Å; D365-P402 VanDerWaalsContact O-CG 3.31Å; D365-P402 WeakPolarHBondContact O-CG 3.48Å; D365-H403 IonicContact OD2-CD2 2.76Å; D365-H403 IonicContact OD2-CE1 3.75Å; D365-H403 IonicContact OD2-NE2 2.75Å; D365-H403 PolarHBondContact OD2-NE2 3.44Å |
| 366 | A | 90.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -72.7 | 146 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S326 P340 V346 R364 I399 H400 | S326-A366 PolarHBondContact OG-O 3.09Å; P340-A366 WeakPolarHBondContact CB-O 3.27Å; V346-A366 HydrophobicContact CG2-CB 3.98Å; R364-A366 PolarHBondContact O-N 3.03Å; R364-A366 VanDerWaalsContact O-N 3.1Å; A366-I399 HydrophobicContact CB-CG2 4.23Å; A366-H400 WeakPolarHBondContact CA-O 3.48Å | ||
| 367 | E | 90.7 | Very high | 81.4 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.9 | 174.5 | -51.4 | 173.9 | 145.9 | 0 | 0 | 107.5 | H400 R428 L429 | E367-H400 HydrophobicContact CB-CB 4.21Å; E367-H400 PolarHBondContact N-O 3.16Å; E367-H400 VanDerWaalsContact N-O 3.11Å; E367-H400 PolarHBondContact O-N 2.76Å; E367-H400 IonicContact OE2-CE1 3.81Å; E367-H400 IonicContact OE2-CG 3.1Å; E367-H400 IonicContact OE2-ND1 2.88Å; E367-H400 PolarHBondContact OE2-ND1 2.94Å; E367-R428 WeakPolarHBondContact OE2-CA 3.17Å; E367-L429 HydrophobicContact CB-CB 4.02Å; E367-L429 PolarHBondContact OE2-N 3.23Å |
| 368 | V | 92.7 | Very high | 78.8 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.4 | -170.6 | -68.7 | 0 | 0 | 0 | 0 | 110.2 | A329 A338 P340 V346 L397 L398 I399 | A329-V368 HydrophobicContact CB-CB 4.3Å; A329-V368 HydrophobicContact CB-CG2 3.73Å; A329-V368 WeakPolarHBondContact CB-O 3.23Å; A338-V368 HydrophobicContact CB-CB 4.15Å; A338-V368 HydrophobicContact CB-CG2 3.99Å; P340-V368 HydrophobicContact CG-CG2 4.22Å; V346-V368 HydrophobicContact CG1-CG1 3.72Å; V346-V368 HydrophobicContact CG2-CG1 4.01Å; V368-L397 HydrophobicContact CB-CD1 4.32Å; V368-L398 WeakPolarHBondContact CA-O 3.39Å; V368-I399 HydrophobicContact CG1-CG1 4.38Å; V368-I399 HydrophobicContact CG1-CG2 4.46Å |
| 369 | A | 90.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 146.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L398 L429 Q431 T453 | A369-L398 PolarHBondContact N-O 2.88Å; A369-L398 VanDerWaalsContact N-O 3.08Å; A369-L398 PolarHBondContact O-N 3.42Å; A369-L429 HydrophobicContact CB-CD1 4.24Å; A369-L429 HydrophobicContact CB-CD2 3.85Å; A369-L429 HydrophobicContact CB-CG 3.91Å; A369-Q431 HydrophobicContact CB-CB 3.96Å; A369-Q431 HydrophobicContact CB-CG 4.48Å; A369-T453 HydrophobicContact CB-CG2 3.46Å; A369-T453 VanDerWaalsContact CB-CG2 3.46Å |
| 370 | F | 89.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.3 | 175 | -75.1 | -85.2 | 0 | 0 | 0 | 111.6 | A329 I330 S331 W336 A338 L348 L395 L397 L412 T453 | A329-F370 HydrophobicContact CB-CD2 3.83Å; A329-F370 HydrophobicContact CB-CE2 3.99Å; A329-F370 WeakPolarHBondContact O-CE2 3.28Å; I330-F370 VanDerWaalsContact C-CD2 3.42Å; S331-F370 VanDerWaalsContact N-CD2 3.28Å; W336-F370 HydrophobicContact CB-CE1 3.75Å; W336-F370 HydrophobicContact CB-CZ 3.62Å; A338-F370 HydrophobicContact CB-CE2 3.85Å; A338-F370 HydrophobicContact CB-CZ 3.91Å; L348-F370 HydrophobicContact CD1-CE1 4.22Å; L348-F370 HydrophobicContact CD1-CZ 4.04Å; F370-L395 HydrophobicContact CB-CD1 4.19Å; F370-L395 HydrophobicContact CD1-CD1 4.19Å; F370-L395 HydrophobicContact CD1-CD2 3.89Å; F370-L395 HydrophobicContact CD1-CG 3.95Å; F370-L395 HydrophobicContact CE1-CD2 4.2Å; F370-L397 HydrophobicContact CD1-CD1 4.37Å; F370-L397 HydrophobicContact CE1-CD1 4.29Å; F370-L397 HydrophobicContact CZ-CD1 4.37Å; F370-L412 HydrophobicContact CD1-CD2 4.04Å; F370-L412 HydrophobicContact CE1-CD2 3.49Å; F370-L412 VanDerWaalsContact CE1-CD2 3.49Å; F370-T453 VanDerWaalsContact O-CG2 3.22Å; F370-T453 WeakPolarHBondContact O-CG2 3.31Å |
| 371 | L | 83.2 | Confident | 69.6 | Low | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115.8 | 175.4 | -174.1 | 68.6 | 0 | 0 | 0 | 109.7 | V373 C396 L398 L409 Q452 I465 L467 | L371-V373 HydrophobicContact CD2-CG2 4.12Å; L371-V373 HydrophobicContact CG-CG2 4.09Å; L371-C396 PolarHBondContact N-O 3Å; L371-C396 PolarHBondContact O-N 3.45Å; L371-L398 HydrophobicContact CB-CD1 4.21Å; L371-L398 HydrophobicContact CD2-CD1 4.23Å; L371-L409 HydrophobicContact CD2-CD1 4.36Å; L371-Q452 HydrophobicContact CD1-CB 4.08Å; L371-I465 HydrophobicContact CD2-CG2 4.37Å; L371-L467 HydrophobicContact CD2-CD1 3.22Å; L371-L467 HydrophobicContact CD2-CG 3.81Å |
| 372 | E | 78.8 | Confident | 66.7 | Low | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 106.9 | 173.6 | -171.5 | -174.3 | 166.2 | 0 | 0 | 108.6 | K393 L395 R434 Q452 | E372-K393 VanDerWaalsContact OE1-CD 3.26Å; E372-K393 WeakPolarHBondContact OE1-CD 3.43Å; E372-K393 IonicContact OE1-NZ 2.77Å; E372-K393 PolarHBondContact OE1-NZ 2.82Å; E372-L395 HydrophobicContact CB-CD1 4.09Å; E372-R434 IonicContact OE2-CZ 2.71Å; E372-R434 IonicContact OE2-NH1 3.63Å; E372-R434 PolarHBondContact OE2-NH1 3.49Å; E372-R434 IonicContact OE2-NH2 3.62Å; E372-R434 PolarHBondContact OE2-NH2 3.23Å; E372-Q452 PolarHBondContact O-NE2 3.05Å |
| 373 | V | 71.3 | Confident | 63.7 | Low | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | L371 K393 T394 L467 A469 C472 | L371-V373 HydrophobicContact CD2-CG2 4.12Å; L371-V373 HydrophobicContact CG-CG2 4.09Å; V373-K393 WeakPolarHBondContact O-CA 3.39Å; V373-T394 PolarHBondContact N-O 2.93Å; V373-T394 PolarHBondContact O-N 2.75Å; V373-L467 HydrophobicContact CG2-CB 4.32Å; V373-L467 HydrophobicContact CG2-CD1 4.15Å; V373-A469 HydrophobicContact CG1-CB 4Å; V373-C472 HydrophobicContact CB-CB 4.38Å; V373-C472 HydrophobicContact CG1-CB 4.17Å; V373-C472 HydrophobicContact CG2-CB 4.4Å |
| 374 | C | 63.3 | Low | 60.7 | Low | 41 Ų | 41 | 65.6 Ų | 65.6 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.2 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | S376 V391 K393 | C374-S376 VanDerWaalsContact C-N 3.28Å; C374-S376 PolarHBondContact O-N 2.73Å; C374-V391 HydrophobicContact CB-CG1 4.37Å; C374-K393 HydrophobicContact CB-CG 4.39Å; C374-K393 WeakPolarHBondContact SG-CE 3.46Å |
| 375 | D | 57.6 | Low | 58 | Low | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 32% | 0.316 | C | S | . | . | trans | -70.9 | 84.8 | 169.8 | -162 | 5.6 | 0 | 0 | 0 | 110.3 | E377 V391 R392 A469 L473 | D375-E377 PolarHBondContact O-N 3.5Å; D375-E377 VanDerWaalsContact OD1-CB 3.28Å; D375-E377 WeakPolarHBondContact OD1-CB 3.08Å; D375-E377 WeakPolarHBondContact OD1-CG 3.35Å; D375-V391 WeakPolarHBondContact O-CG1 3.31Å; D375-R392 HydrophobicContact CB-CB 4.26Å; D375-R392 WeakPolarHBondContact CB-O 3.34Å; D375-R392 PolarHBondContact N-O 3.3Å; D375-A469 HydrophobicContact CB-CB 4.13Å; D375-L473 HydrophobicContact CB-CD1 3.85Å | ||
| 376 | S | 47.6 | Very low | 55.1 | Low | 103 Ų | 103 | 64.8 Ų | 64.8 | 72% | 0.72 | 32% | 0.324 | S | S | * | . | trans | -75.5 | 23.9 | 176.7 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | C374 T378 | C374-S376 VanDerWaalsContact C-N 3.28Å; C374-S376 PolarHBondContact O-N 2.73Å; S376-T378 PolarHBondContact O-N 2.73Å | ||
| 377 | E | 42.3 | Very low | 52.4 | Low | 77 Ų | 77 | 70.3 Ų | 70.3 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | trans | -68.3 | 3.9 | 177.9 | -80.5 | -170.1 | 172.8 | 0 | 0 | 114.9 | D375 R528 R660 | D375-E377 PolarHBondContact O-N 3.5Å; D375-E377 VanDerWaalsContact OD1-CB 3.28Å; D375-E377 WeakPolarHBondContact OD1-CB 3.08Å; D375-E377 WeakPolarHBondContact OD1-CG 3.35Å; E377-R528 IonicContact OE1-CZ 3.66Å; E377-R528 IonicContact OE1-NH2 3.69Å; E377-R528 PolarHBondContact OE1-NH2 3.49Å; E377-R660 PolarHBondContact O-NH2 3.13Å | ||
| 378 | T | 34.1 | Very low | 49.7 | Very low | 45 Ų | 45 | 76.4 Ų | 76.4 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -133.7 | 110.2 | 163.6 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | S376 Y380 I381 | S376-T378 PolarHBondContact O-N 2.73Å; T378-Y380 VanDerWaalsContact C-N 3.27Å; T378-Y380 PolarHBondContact O-N 3.07Å; T378-I381 HydrophobicContact CG2-CD1 3.81Å; T378-I381 HydrophobicContact CG2-CG1 4.27Å |
| 379 | P | 28.5 | Very low | 46.9 | Very low | 53 Ų | 53 | 87 Ų | 87 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -55.2 | 106.8 | 157.7 | -10.4 | 24 | 0 | 0 | 0 | 105.3 | I381 | P379-I381 PolarHBondContact O-N 2.94Š|
| 380 | Y | 27.7 | Very low | 44.4 | Very low | 166 Ų | 166 | 91.5 Ų | 91.5 | 65% | 0.651 | 47% | 0.465 | S | S | * | . | trans | 42.1 | 79.2 | 162 | -60.8 | -88.2 | 0 | 0 | 0 | 115.1 | T378 G382 | T378-Y380 VanDerWaalsContact C-N 3.27Å; T378-Y380 PolarHBondContact O-N 3.07Å; Y380-G382 PolarHBondContact O-N 3.43Å | ||
| 381 | I | 28.7 | Very low | 42.5 | Very low | 105 Ų | 105 | 94.9 Ų | 94.9 | 54% | 0.538 | 49% | 0.485 | S | S | . | . | trans | -67.7 | 82.7 | 148.7 | -61.4 | 170.4 | 0 | 0 | 0 | 106.4 | T378 P379 | T378-I381 HydrophobicContact CG2-CD1 3.81Å; T378-I381 HydrophobicContact CG2-CG1 4.27Å; P379-I381 PolarHBondContact O-N 2.94Å | ||
| 382 | G | 30.9 | Very low | 41 | Very low | 47 Ų | 47 | 101.6 Ų | 101.6 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | trans | -60.1 | 140.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y380 | Y380-G382 PolarHBondContact O-N 3.43Š| ||
| 383 | Y | 26.4 | Very low | 40.1 | Very low | 140 Ų | 140 | 105.2 Ų | 105.2 | 55% | 0.549 | 53% | 0.525 | S | S | . | . | trans | 96.7 | 89.6 | 177 | -56.3 | -78.8 | 0 | 0 | 0 | 117.1 | F1191 | Y383-F1191 WeakPolarHBondContact OH-CE1 3.48Š| ||
| 384 | R | 29.5 | Very low | 40.1 | Very low | 223 Ų | 223 | 107 Ų | 107 | 84% | 0.842 | 54% | 0.536 | S | S | * | . | trans | -36.2 | 145.5 | 148.4 | -67.8 | 175.3 | 173.3 | 172 | -2 | 112 | ||||
| 385 | N | 30.3 | Very low | 41 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | 113.9 | 38.9 | 162.4 | -54.9 | -14.1 | 0 | 0 | 0 | 117.6 | ||||
| 386 | K | 24.3 | Very low | 42.4 | Very low | 145 Ų | 145 | 104.5 Ų | 104.5 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | S | Bend | -129.7 | 125.7 | 126.8 | -81.6 | 177.4 | -179.2 | 162.4 | 0 | 107.5 | D813 | K386-D813 VanDerWaalsContact CE-OD2 3.3Å; K386-D813 WeakPolarHBondContact CE-OD2 3.02Å; K386-D813 IonicContact NZ-OD1 3Å; K386-D813 PolarHBondContact NZ-OD1 3.49Å; K386-D813 IonicContact NZ-OD2 3.33Å; K386-D813 PolarHBondContact NZ-OD2 3.41Å | |
| 387 | P | 33.5 | Very low | 44.5 | Very low | 115 Ų | 115 | 99.6 Ų | 99.6 | 75% | 0.747 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 138.6 | -178.2 | 31.6 | -30.7 | 0 | 0 | 0 | 108.7 | ||
| 388 | N | 33.9 | Very low | 46.9 | Very low | 142 Ų | 142 | 96 Ų | 96 | 76% | 0.759 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.1 | 26.4 | 160.5 | -51.9 | -13.7 | 0 | 0 | 0 | 120 | ||
| 389 | Y | 32.9 | Very low | 49.7 | Very low | 237 Ų | 237 | 93.8 Ų | 93.8 | 93% | 0.929 | 46% | 0.455 | S | S | * | . | trans | -112 | 68.8 | 140.7 | -71.6 | -75.9 | 0 | 0 | 0 | 108.7 | V391 | Y389-V391 PolarHBondContact O-N 3.23Š| ||
| 390 | S | 38.9 | Very low | 52.7 | Low | 94 Ų | 94 | 91.5 Ų | 91.5 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | trans | -52.9 | 127 | 158.3 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | R392 | S390-R392 PolarHBondContact O-N 3.01Š| ||
| 391 | V | 48.3 | Very low | 55.6 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | trans | -40.2 | 114.9 | 162.4 | 170.7 | 0 | 0 | 0 | 0 | 106 | C374 D375 Y389 K393 | C374-V391 HydrophobicContact CB-CG1 4.37Å; D375-V391 WeakPolarHBondContact O-CG1 3.31Å; Y389-V391 PolarHBondContact O-N 3.23Å; V391-K393 HydrophobicContact CG1-CG 4.21Å; V391-K393 WeakPolarHBondContact O-CG 3.41Å; V391-K393 PolarHBondContact O-N 2.87Å | ||
| 392 | R | 51.6 | Low | 58.2 | Low | 150 Ų | 150 | 79.8 Ų | 79.8 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | trans | -65.4 | 107.9 | -177.3 | -95.4 | -176.2 | 174.4 | -172.7 | -2 | 105.8 | D375 S390 L473 | D375-R392 HydrophobicContact CB-CB 4.26Å; D375-R392 WeakPolarHBondContact CB-O 3.34Å; D375-R392 PolarHBondContact N-O 3.3Å; S390-R392 PolarHBondContact O-N 3.01Å; R392-L473 HydrophobicContact CB-CD1 4.01Å; R392-L473 HydrophobicContact CB-CD2 4.32Å | ||
| 393 | K | 61.7 | Low | 60.7 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.2 | 172.8 | -63.1 | -167.4 | 166.2 | -157.1 | 0 | 106.9 | E372 V373 C374 V391 | E372-K393 VanDerWaalsContact OE1-CD 3.26Å; E372-K393 WeakPolarHBondContact OE1-CD 3.43Å; E372-K393 IonicContact OE1-NZ 2.77Å; E372-K393 PolarHBondContact OE1-NZ 2.82Å; V373-K393 WeakPolarHBondContact O-CA 3.39Å; C374-K393 HydrophobicContact CB-CG 4.39Å; C374-K393 WeakPolarHBondContact SG-CE 3.46Å; V391-K393 HydrophobicContact CG1-CG 4.21Å; V391-K393 WeakPolarHBondContact O-CG 3.41Å; V391-K393 PolarHBondContact O-N 2.87Å |
| 394 | T | 70.7 | Confident | 63.4 | Low | 46 Ų | 46 | 81.5 Ų | 81.5 | 28% | 0.282 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.4 | 173.6 | -70 | 0 | 0 | 0 | 0 | 108.5 | V373 L473 | V373-T394 PolarHBondContact N-O 2.93Å; V373-T394 PolarHBondContact O-N 2.75Å; T394-L473 WeakPolarHBondContact OG1-CD2 3.39Å |
| 395 | L | 82.3 | Confident | 66 | Low | 28 Ų | 28 | 76.4 Ų | 76.4 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.1 | 172.5 | -171.9 | 70.4 | 0 | 0 | 0 | 107.8 | P332 W336 F370 E372 L412 | P332-L395 HydrophobicContact CG-CD1 4.43Å; W336-L395 HydrophobicContact CG-CD2 4.46Å; F370-L395 HydrophobicContact CB-CD1 4.19Å; F370-L395 HydrophobicContact CD1-CD1 4.19Å; F370-L395 HydrophobicContact CD1-CD2 3.89Å; F370-L395 HydrophobicContact CD1-CG 3.95Å; F370-L395 HydrophobicContact CE1-CD2 4.2Å; E372-L395 HydrophobicContact CB-CD1 4.09Å; L395-L412 HydrophobicContact CB-CD1 3.54Å; L395-L412 HydrophobicContact CD2-CD1 3.49Å; L395-L412 VanDerWaalsContact CD2-CD1 3.49Å; L395-L412 HydrophobicContact CG-CD1 3.52Å; L395-L412 WeakPolarHBondContact O-CD1 3.03Å; L395-L412 WeakPolarHBondContact O-CG 3.47Å |
| 396 | C | 86.8 | Confident | 68.7 | Low | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 159.3 | 178.2 | -66.6 | 0 | 0 | 0 | 0 | 110 | L371 L409 W410 | L371-C396 PolarHBondContact N-O 3Å; L371-C396 PolarHBondContact O-N 3.45Å; C396-L409 HydrophobicContact CB-CD1 3.69Å; C396-L409 HydrophobicContact CB-CG 4.19Å; C396-W410 WeakPolarHBondContact CA-O 3.13Å |
| 397 | L | 91.9 | Very high | 71.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.3 | 174.7 | -177.1 | 67.2 | 0 | 0 | 0 | 109.6 | A338 V346 W360 V368 F370 I399 W410 L412 | A338-L397 HydrophobicContact CB-CD1 3.57Å; A338-L397 HydrophobicContact CB-CD2 4.26Å; V346-L397 HydrophobicContact CG1-CD2 4.32Å; W360-L397 HydrophobicContact CE3-CD2 4.2Å; W360-L397 HydrophobicContact CH2-CD2 3.43Å; W360-L397 VanDerWaalsContact CH2-CD2 3.43Å; W360-L397 HydrophobicContact CZ2-CD2 4.05Å; W360-L397 HydrophobicContact CZ3-CD2 3.5Å; V368-L397 HydrophobicContact CB-CD1 4.32Å; F370-L397 HydrophobicContact CD1-CD1 4.37Å; F370-L397 HydrophobicContact CE1-CD1 4.29Å; F370-L397 HydrophobicContact CZ-CD1 4.37Å; L397-I399 HydrophobicContact CD2-CD1 3.96Å; L397-I399 HydrophobicContact CD2-CG1 3.92Å; L397-I399 HydrophobicContact CG-CD1 4.49Å; L397-I399 HydrophobicContact CG-CG1 3.95Å; L397-W410 PolarHBondContact N-O 3.26Å; L397-W410 PolarHBondContact O-N 3.21Å; L397-L412 HydrophobicContact CB-CD2 3.92Å |
| 398 | L | 91.4 | Very high | 74.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 130.7 | 165.7 | -76.9 | 160.4 | 0 | 0 | 0 | 108.9 | V368 A369 L371 L407 E408 L409 W421 L429 T453 I465 | V368-L398 WeakPolarHBondContact CA-O 3.39Å; A369-L398 PolarHBondContact N-O 2.88Å; A369-L398 VanDerWaalsContact N-O 3.08Å; A369-L398 PolarHBondContact O-N 3.42Å; L371-L398 HydrophobicContact CB-CD1 4.21Å; L371-L398 HydrophobicContact CD2-CD1 4.23Å; L398-L407 HydrophobicContact CD2-CD1 4.2Å; L398-L407 HydrophobicContact CD2-CD2 4.25Å; L398-L407 HydrophobicContact CD2-CG 4.12Å; L398-E408 CarbonylContact C-O 3.37Å; L398-E408 WeakPolarHBondContact CA-O 3.49Å; L398-L409 HydrophobicContact CD2-CB 4.22Å; L398-L409 HydrophobicContact CD2-CD1 3.65Å; L398-L409 HydrophobicContact CG-CD1 3.72Å; L398-W421 HydrophobicContact CD2-CZ3 4.07Å; L398-L429 HydrophobicContact CB-CD2 3.97Å; L398-T453 HydrophobicContact CD1-CG2 4.15Å; L398-I465 HydrophobicContact CD1-CD1 3.56Å; L398-I465 HydrophobicContact CD2-CD1 4.17Å |
| 399 | I | 92.8 | Very high | 77.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 110.8 | 173.4 | -51.8 | -179.8 | 0 | 0 | 0 | 107.4 | V346 W360 Y363 A366 V368 L397 E408 W410 | V346-I399 HydrophobicContact CG1-CD1 4.47Å; V346-I399 HydrophobicContact CG2-CG2 4.21Å; W360-I399 HydrophobicContact CB-CD1 4.4Å; W360-I399 HydrophobicContact CD2-CD1 3.91Å; W360-I399 HydrophobicContact CE3-CD1 4.29Å; W360-I399 HydrophobicContact CG-CD1 3.94Å; Y363-I399 HydrophobicContact CD1-CG2 3.38Å; Y363-I399 HydrophobicContact CE1-CB 4.32Å; Y363-I399 HydrophobicContact CE1-CG2 3.64Å; Y363-I399 HydrophobicContact CG-CG2 4.14Å; A366-I399 HydrophobicContact CB-CG2 4.23Å; V368-I399 HydrophobicContact CG1-CG1 4.38Å; V368-I399 HydrophobicContact CG1-CG2 4.46Å; L397-I399 HydrophobicContact CD2-CD1 3.96Å; L397-I399 HydrophobicContact CD2-CG1 3.92Å; L397-I399 HydrophobicContact CG-CD1 4.49Å; L397-I399 HydrophobicContact CG-CG1 3.95Å; I399-E408 PolarHBondContact N-O 3.24Å; I399-E408 PolarHBondContact O-N 3.31Å; I399-W410 HydrophobicContact CD1-CG 4.33Å |
| 400 | H | 91.2 | Very high | 79.7 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.5 | 166.9 | 178 | -134.2 | 0 | 0 | 0 | 108.3 | A366 E367 P402 L407 V427 L429 | A366-H400 WeakPolarHBondContact CA-O 3.48Å; E367-H400 HydrophobicContact CB-CB 4.21Å; E367-H400 PolarHBondContact N-O 3.16Å; E367-H400 VanDerWaalsContact N-O 3.11Å; E367-H400 PolarHBondContact O-N 2.76Å; E367-H400 IonicContact OE2-CE1 3.81Å; E367-H400 IonicContact OE2-CG 3.1Å; E367-H400 IonicContact OE2-ND1 2.88Å; E367-H400 PolarHBondContact OE2-ND1 2.94Å; H400-P402 WeakPolarHBondContact O-CD 3.17Å; H400-L407 HydrophobicContact CB-CD1 3.82Å; H400-V427 PolarHBondContact CE1-O 3.15Å; H400-L429 HydrophobicContact CB-CB 3.97Å; H400-L429 HydrophobicContact CB-CD2 4.08Å |
| 401 | A | 89.5 | Confident | 81.7 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 88.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y363 H403 L404 H405 S406 | Y363-A401 HydrophobicContact CD1-CB 3.81Å; Y363-A401 HydrophobicContact CE1-CB 4.09Å; A401-H403 VanDerWaalsContact C-N 3.28Å; A401-H403 PolarHBondContact O-N 3.39Å; A401-H403 VanDerWaalsContact O-N 3.17Å; A401-L404 HydrophobicContact CB-CB 3.92Å; A401-L404 HydrophobicContact CB-CD1 3.96Å; A401-L404 HydrophobicContact CB-CG 4.18Å; A401-L404 CarbonylContact O-C 3.52Å; A401-L404 PolarHBondContact O-N 3.38Å; A401-H405 PolarHBondContact O-N 3.13Å; A401-H405 VanDerWaalsContact O-N 3.13Å; A401-S406 PolarHBondContact N-O 3.22Å; A401-S406 PolarHBondContact O-N 3.45Å |
| 402 | P | 83.5 | Confident | 83.3 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -57 | -39.4 | -170.5 | -26.3 | 33.4 | 0 | 0 | 0 | 113.6 | D365 H400 L404 H405 | D365-P402 WeakPolarHBondContact O-CD 3.4Å; D365-P402 VanDerWaalsContact O-CG 3.31Å; D365-P402 WeakPolarHBondContact O-CG 3.48Å; H400-P402 WeakPolarHBondContact O-CD 3.17Å; P402-L404 VanDerWaalsContact C-N 3.28Å; P402-L404 PolarHBondContact O-N 3.31Å; P402-H405 PolarHBondContact O-N 2.78Å; P402-H405 PolarHBondContact O-ND1 3.06Å |
| 403 | H | 82.5 | Confident | 84.6 | Confident | 121 Ų | 121 | 33.8 Ų | 33.8 | 56% | 0.56 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -74.2 | -16.6 | 179.7 | -65.8 | -81.2 | 0 | 0 | 0 | 114.4 | R364 D365 A401 | R364-H403 PolarHBondContact O-CD2 2.83Å; D365-H403 IonicContact OD2-CD2 2.76Å; D365-H403 IonicContact OD2-CE1 3.75Å; D365-H403 IonicContact OD2-NE2 2.75Å; D365-H403 PolarHBondContact OD2-NE2 3.44Å; A401-H403 VanDerWaalsContact C-N 3.28Å; A401-H403 PolarHBondContact O-N 3.39Å; A401-H403 VanDerWaalsContact O-N 3.17Å |
| 404 | L | 83.5 | Confident | 84.8 | Confident | 102 Ų | 102 | 36.6 Ų | 36.6 | 53% | 0.534 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -96.8 | -4.7 | 173.6 | -63.6 | 178.2 | 0 | 0 | 0 | 111.7 | A401 P402 S406 | A401-L404 HydrophobicContact CB-CB 3.92Å; A401-L404 HydrophobicContact CB-CD1 3.96Å; A401-L404 HydrophobicContact CB-CG 4.18Å; A401-L404 CarbonylContact O-C 3.52Å; A401-L404 PolarHBondContact O-N 3.38Å; P402-L404 VanDerWaalsContact C-N 3.28Å; P402-L404 PolarHBondContact O-N 3.31Å; L404-S406 PolarHBondContact O-N 2.94Å |
| 405 | H | 83.7 | Confident | 84.6 | Confident | 116 Ų | 116 | 36 Ų | 36 | 54% | 0.537 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40 | -172.7 | -60.2 | -62.1 | 0 | 0 | 0 | 111.7 | A401 P402 D422 V423 | A401-H405 PolarHBondContact O-N 3.13Å; A401-H405 VanDerWaalsContact O-N 3.13Å; P402-H405 PolarHBondContact O-N 2.78Å; P402-H405 PolarHBondContact O-ND1 3.06Å; H405-D422 CarbonylContact O-C 3.52Å; H405-D422 WeakPolarHBondContact O-CA 3.47Å; H405-V423 WeakPolarHBondContact CB-O 3.21Å; H405-V423 PolarHBondContact O-N 3.38Å |
| 406 | S | 87.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.9 | -176.4 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | A401 L404 E408 W421 | A401-S406 PolarHBondContact N-O 3.22Å; A401-S406 PolarHBondContact O-N 3.45Å; L404-S406 PolarHBondContact O-N 2.94Å; S406-E408 PolarHBondContact OG-OE1 3.08Å; S406-W421 CarbonylContact C-O 3.6Å; S406-W421 VanDerWaalsContact CA-O 3.31Å; S406-W421 WeakPolarHBondContact CA-O 3.23Å |
| 407 | L | 89.6 | Confident | 83.9 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.4 | 164.4 | 179.7 | 73.5 | 0 | 0 | 0 | 108.2 | L398 H400 S420 W421 V423 L429 L455 I465 | L398-L407 HydrophobicContact CD2-CD1 4.2Å; L398-L407 HydrophobicContact CD2-CD2 4.25Å; L398-L407 HydrophobicContact CD2-CG 4.12Å; H400-L407 HydrophobicContact CB-CD1 3.82Å; L407-S420 CarbonylContact O-C 3.35Å; L407-S420 WeakPolarHBondContact O-CA 3.44Å; L407-W421 HydrophobicContact CB-CE3 4.34Å; L407-W421 HydrophobicContact CD2-CE3 3.92Å; L407-W421 HydrophobicContact CD2-CZ3 4.31Å; L407-W421 HydrophobicContact CG-CE3 4.08Å; L407-W421 PolarHBondContact N-O 3.13Å; L407-W421 PolarHBondContact O-N 3.3Å; L407-V423 HydrophobicContact CB-CG2 3.59Å; L407-L429 HydrophobicContact CD1-CD1 4.41Å; L407-L429 HydrophobicContact CD1-CD2 4.19Å; L407-L455 HydrophobicContact CD1-CD1 4.41Å; L407-L455 HydrophobicContact CD2-CD1 3.69Å; L407-I465 HydrophobicContact CD2-CD1 3.86Å |
| 408 | E | 89.5 | Confident | 83.2 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.1 | -174 | -56.1 | -167.4 | 170.1 | 0 | 0 | 111.8 | Y363 L398 I399 S406 W410 R417 | Y363-E408 PolarHBondContact OH-OE2 2.88Å; L398-E408 CarbonylContact C-O 3.37Å; L398-E408 WeakPolarHBondContact CA-O 3.49Å; I399-E408 PolarHBondContact N-O 3.24Å; I399-E408 PolarHBondContact O-N 3.31Å; S406-E408 PolarHBondContact OG-OE1 3.08Å; E408-W410 WeakPolarHBondContact OE2-CZ2 3.26Å; E408-W410 PolarHBondContact OE2-NE1 2.95Å; E408-R417 HydrophobicContact CB-CG 4.34Å; E408-R417 VanDerWaalsContact CD-CD 3.45Å; E408-R417 VanDerWaalsContact CD-NH1 3.35Å; E408-R417 IonicContact OE1-CZ 2.69Å; E408-R417 IonicContact OE1-NH1 3.65Å; E408-R417 PolarHBondContact OE1-NH1 3.38Å; E408-R417 WeakPolarHBondContact OE2-CD 3.05Å; E408-R417 IonicContact OE2-NH1 2.76Å |
| 409 | L | 88.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.3 | 172.7 | -171.9 | 74.6 | 0 | 0 | 0 | 110.3 | L371 C396 L398 I418 V419 W421 L467 | L371-L409 HydrophobicContact CD2-CD1 4.36Å; C396-L409 HydrophobicContact CB-CD1 3.69Å; C396-L409 HydrophobicContact CB-CG 4.19Å; L398-L409 HydrophobicContact CD2-CB 4.22Å; L398-L409 HydrophobicContact CD2-CD1 3.65Å; L398-L409 HydrophobicContact CG-CD1 3.72Å; L409-I418 HydrophobicContact CB-CB 4.48Å; L409-I418 HydrophobicContact CD2-CB 4.11Å; L409-I418 HydrophobicContact CD2-CD1 3.99Å; L409-I418 HydrophobicContact CD2-CG2 4.15Å; L409-I418 HydrophobicContact CG-CB 4.41Å; L409-I418 HydrophobicContact CG-CD1 4.21Å; L409-I418 PolarHBondContact O-N 3.24Å; L409-V419 HydrophobicContact CB-CG1 3.59Å; L409-V419 HydrophobicContact CD2-CG1 3.84Å; L409-V419 HydrophobicContact CG-CG1 4.39Å; L409-V419 PolarHBondContact N-O 3.37Å; L409-W421 HydrophobicContact CB-CH2 4.24Å; L409-W421 HydrophobicContact CB-CZ3 4Å; L409-L467 HydrophobicContact CD1-CD1 4.05Å; L409-L467 HydrophobicContact CD2-CD1 3.34Å; L409-L467 HydrophobicContact CG-CD1 4.34Å |
| 410 | W | 87.5 | Confident | 82 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.5 | -176.4 | -73.7 | 84.7 | 0 | 0 | 0 | 112.1 | W360 Y363 C396 L397 I399 E408 R417 | W360-W410 AromaticContact CD1-CD2 3.89Å; W360-W410 AromaticContact CD1-CE2 3.9Å; W360-W410 AromaticContact CD1-CE3 3.99Å; W360-W410 HydrophobicContact CZ2-CB 4.32Å; W360-W410 AromaticContact NE1-CD2 3.3Å; W360-W410 VanDerWaalsContact NE1-CD2 3.3Å; W360-W410 AromaticContact NE1-CE2 3.81Å; W360-W410 AromaticContact NE1-CE3 3.26Å; W360-W410 VanDerWaalsContact NE1-CE3 3.26Å; W360-W410 AromaticContact NE1-CG 3.78Å; W360-W410 AromaticContact NE1-CZ3 3.73Å; Y363-W410 VanDerWaalsContact OH-CZ2 3.3Å; Y363-W410 WeakPolarHBondContact OH-CZ2 3.4Å; C396-W410 WeakPolarHBondContact CA-O 3.13Å; L397-W410 PolarHBondContact N-O 3.26Å; L397-W410 PolarHBondContact O-N 3.21Å; I399-W410 HydrophobicContact CD1-CG 4.33Å; E408-W410 WeakPolarHBondContact OE2-CZ2 3.26Å; E408-W410 PolarHBondContact OE2-NE1 2.95Å; W410-R417 HydrophobicContact CD2-CB 3.97Å; W410-R417 HydrophobicContact CD2-CG 4.3Å; W410-R417 HydrophobicContact CE3-CB 4.05Å; W410-R417 HydrophobicContact CH2-CB 3.85Å; W410-R417 HydrophobicContact CZ2-CB 3.73Å; W410-R417 HydrophobicContact CZ2-CG 4.1Å; W410-R417 HydrophobicContact CZ3-CB 4Å |
| 411 | C | 82.4 | Confident | 81.7 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 146.1 | 159.5 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | R358 H414 | R358-C411 PolarHBondContact NH1-O 2.74Å; C411-H414 WeakPolarHBondContact CB-O 3.37Å |
| 412 | L | 81.4 | Confident | 81.4 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -68.3 | -77.2 | -173.7 | -77.9 | 173.4 | 0 | 0 | 0 | 114.9 | L348 R358 F370 L395 L397 | L348-L412 HydrophobicContact CD1-CD2 3.89Å; L348-L412 HydrophobicContact CD2-CB 4.15Å; L348-L412 HydrophobicContact CD2-CD2 4.15Å; L348-L412 WeakPolarHBondContact CD2-O 3.37Å; R358-L412 WeakPolarHBondContact CD-O 3.43Å; R358-L412 PolarHBondContact NH1-O 3.05Å; F370-L412 HydrophobicContact CD1-CD2 4.04Å; F370-L412 HydrophobicContact CE1-CD2 3.49Å; F370-L412 VanDerWaalsContact CE1-CD2 3.49Å; L395-L412 HydrophobicContact CB-CD1 3.54Å; L395-L412 HydrophobicContact CD2-CD1 3.49Å; L395-L412 VanDerWaalsContact CD2-CD1 3.49Å; L395-L412 HydrophobicContact CG-CD1 3.52Å; L395-L412 WeakPolarHBondContact O-CD1 3.03Å; L395-L412 WeakPolarHBondContact O-CG 3.47Å; L397-L412 HydrophobicContact CB-CD2 3.92Å |
| 413 | I | 77.8 | Confident | 81.3 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -85.6 | -48.4 | -167.6 | -55.3 | 173.3 | 0 | 0 | 0 | 110.7 | W336 L348 V357 | W336-I413 HydrophobicContact CH2-CD1 3.34Å; W336-I413 HydrophobicContact CH2-CG1 3.69Å; W336-I413 HydrophobicContact CZ2-CD1 3.5Å; W336-I413 HydrophobicContact CZ2-CG1 4.07Å; W336-I413 HydrophobicContact CZ3-CD1 4.29Å; W336-I413 HydrophobicContact CZ3-CG1 4.17Å; L348-I413 HydrophobicContact CD2-CG1 4.44Å; V357-I413 HydrophobicContact CG1-CG2 3.79Å |
| 414 | H | 67.6 | Low | 80.7 | Confident | 164 Ų | 164 | 60 Ų | 60 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -131.1 | 149.2 | -178.9 | -58.7 | -53.1 | 0 | 0 | 0 | 108.6 | C411 | C411-H414 WeakPolarHBondContact CB-O 3.37Š|
| 415 | G | 66.1 | Low | 79.9 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | trans | 117 | 161 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R358 | R358-G415 PolarHBondContact NH1-O 3.5Å; R358-G415 PolarHBondContact NH2-O 2.64Å | ||
| 416 | P | 74.2 | Confident | 79 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | trans | -75.3 | -174.8 | -178.4 | 34 | -36.2 | 0 | 0 | 0 | 112.3 | ||||
| 417 | R | 80.2 | Confident | 78.5 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.5 | 163 | -175.5 | 176.1 | 66.7 | -178.3 | 4.8 | 108.2 | E408 W410 | E408-R417 HydrophobicContact CB-CG 4.34Å; E408-R417 VanDerWaalsContact CD-CD 3.45Å; E408-R417 VanDerWaalsContact CD-NH1 3.35Å; E408-R417 IonicContact OE1-CZ 2.69Å; E408-R417 IonicContact OE1-NH1 3.65Å; E408-R417 PolarHBondContact OE1-NH1 3.38Å; E408-R417 WeakPolarHBondContact OE2-CD 3.05Å; E408-R417 IonicContact OE2-NH1 2.76Å; W410-R417 HydrophobicContact CD2-CB 3.97Å; W410-R417 HydrophobicContact CD2-CG 4.3Å; W410-R417 HydrophobicContact CE3-CB 4.05Å; W410-R417 HydrophobicContact CH2-CB 3.85Å; W410-R417 HydrophobicContact CZ2-CB 3.73Å; W410-R417 HydrophobicContact CZ2-CG 4.1Å; W410-R417 HydrophobicContact CZ3-CB 4Å |
| 418 | I | 75.6 | Confident | 78.2 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -52.2 | -176.3 | -58.3 | 173.3 | 0 | 0 | 0 | 109.6 | L409 L471 | L409-I418 HydrophobicContact CB-CB 4.48Å; L409-I418 HydrophobicContact CD2-CB 4.11Å; L409-I418 HydrophobicContact CD2-CD1 3.99Å; L409-I418 HydrophobicContact CD2-CG2 4.15Å; L409-I418 HydrophobicContact CG-CB 4.41Å; L409-I418 HydrophobicContact CG-CD1 4.21Å; L409-I418 PolarHBondContact O-N 3.24Å; I418-L471 WeakPolarHBondContact CG2-O 3.36Å |
| 419 | V | 77.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.6 | -177.2 | 55.7 | 0 | 0 | 0 | 0 | 110.1 | L409 W421 | L409-V419 HydrophobicContact CB-CG1 3.59Å; L409-V419 HydrophobicContact CD2-CG1 3.84Å; L409-V419 HydrophobicContact CG-CG1 4.39Å; L409-V419 PolarHBondContact N-O 3.37Å; V419-W421 HydrophobicContact CB-CH2 4.31Å; V419-W421 HydrophobicContact CB-CZ2 4.3Å; V419-W421 HydrophobicContact CG1-CE3 4.36Å; V419-W421 HydrophobicContact CG1-CH2 3.17Å; V419-W421 HydrophobicContact CG1-CZ2 3.51Å; V419-W421 HydrophobicContact CG1-CZ3 3.65Å; V419-W421 HydrophobicContact CG2-CD2 4.17Å; V419-W421 HydrophobicContact CG2-CH2 4.22Å; V419-W421 HydrophobicContact CG2-CZ2 3.77Å |
| 420 | S | 83.1 | Confident | 78 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.2 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 108 | L407 | L407-S420 CarbonylContact O-C 3.35Å; L407-S420 WeakPolarHBondContact O-CA 3.44Å |
| 421 | W | 85 | Confident | 77.8 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.7 | 171.8 | -59.9 | -86.9 | 0 | 0 | 0 | 108.7 | L398 S406 L407 L409 V419 L467 | L398-W421 HydrophobicContact CD2-CZ3 4.07Å; S406-W421 CarbonylContact C-O 3.6Å; S406-W421 VanDerWaalsContact CA-O 3.31Å; S406-W421 WeakPolarHBondContact CA-O 3.23Å; L407-W421 HydrophobicContact CB-CE3 4.34Å; L407-W421 HydrophobicContact CD2-CE3 3.92Å; L407-W421 HydrophobicContact CD2-CZ3 4.31Å; L407-W421 HydrophobicContact CG-CE3 4.08Å; L407-W421 PolarHBondContact N-O 3.13Å; L407-W421 PolarHBondContact O-N 3.3Å; L409-W421 HydrophobicContact CB-CH2 4.24Å; L409-W421 HydrophobicContact CB-CZ3 4Å; V419-W421 HydrophobicContact CB-CH2 4.31Å; V419-W421 HydrophobicContact CB-CZ2 4.3Å; V419-W421 HydrophobicContact CG1-CE3 4.36Å; V419-W421 HydrophobicContact CG1-CH2 3.17Å; V419-W421 HydrophobicContact CG1-CZ2 3.51Å; V419-W421 HydrophobicContact CG1-CZ3 3.65Å; V419-W421 HydrophobicContact CG2-CD2 4.17Å; V419-W421 HydrophobicContact CG2-CH2 4.22Å; V419-W421 HydrophobicContact CG2-CZ2 3.77Å; W421-L467 HydrophobicContact CH2-CD2 3.8Å; W421-L467 HydrophobicContact CZ2-CD2 3.9Å |
| 422 | D | 83.7 | Confident | 77.5 | Confident | 145 Ų | 145 | 60 Ų | 60 | 78% | 0.775 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.9 | 169.2 | -63.7 | -24.6 | 0 | 0 | 0 | 107.9 | H405 | H405-D422 CarbonylContact O-C 3.52Å; H405-D422 WeakPolarHBondContact O-CA 3.47Å |
| 423 | V | 81.1 | Confident | 76.8 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 11% | 0.109 | 32% | 0.324 | C | S | . | . | trans | -115.5 | 109.3 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 108 | H405 L407 V427 | H405-V423 WeakPolarHBondContact CB-O 3.21Å; H405-V423 PolarHBondContact O-N 3.38Å; L407-V423 HydrophobicContact CB-CG2 3.59Å; V423-V427 HydrophobicContact CG1-CB 3.64Å; V423-V427 HydrophobicContact CG1-CG1 3.96Å; V423-V427 HydrophobicContact CG1-CG2 3.4Å | ||
| 424 | V | 70 | Confident | 75.9 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 70% | 0.697 | 33% | 0.327 | S | S | * | . | trans | -88.6 | 141.3 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 425 | E | 66.2 | Low | 75.3 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 72.5 | 159.1 | 179.6 | -71.4 | 164.8 | -156.9 | 0 | 0 | 115.4 | V427 S458 | E425-V427 WeakPolarHBondContact O-CG2 3.41Å; E425-V427 PolarHBondContact O-N 3.43Å; E425-V427 VanDerWaalsContact O-N 3.08Å; E425-S458 PolarHBondContact OE2-OG 3.48Å |
| 426 | P | 64.9 | Low | 74.4 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | trans | -64.5 | 119.1 | -176.6 | 24.1 | -31.1 | 0 | 0 | 0 | 109.6 | S458 | P426-S458 PolarHBondContact O-N 3.13Å; P426-S458 VanDerWaalsContact O-N 3.17Å | ||
| 427 | V | 77.4 | Confident | 73 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | trans | -121.7 | 149.3 | -178.5 | 164 | 0 | 0 | 0 | 0 | 108.3 | H400 V423 E425 L455 L456 D457 | H400-V427 PolarHBondContact CE1-O 3.15Å; V423-V427 HydrophobicContact CG1-CB 3.64Å; V423-V427 HydrophobicContact CG1-CG1 3.96Å; V423-V427 HydrophobicContact CG1-CG2 3.4Å; E425-V427 WeakPolarHBondContact O-CG2 3.41Å; E425-V427 PolarHBondContact O-N 3.43Å; E425-V427 VanDerWaalsContact O-N 3.08Å; V427-L455 HydrophobicContact CB-CD2 4.44Å; V427-L455 HydrophobicContact CG1-CD1 3.64Å; V427-L455 HydrophobicContact CG1-CD2 3.31Å; V427-L455 HydrophobicContact CG1-CG 3.21Å; V427-L455 HydrophobicContact CG2-CD2 4.24Å; V427-L456 CarbonylContact C-O 3.35Å; V427-L456 VanDerWaalsContact CA-O 3.22Å; V427-L456 WeakPolarHBondContact CA-O 3.11Å; V427-D457 HydrophobicContact CG2-CB 3.93Å | ||
| 428 | R | 83.9 | Confident | 71.1 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.5 | 174.4 | -176.6 | 171.9 | -177.3 | 176.1 | -2.8 | 111.6 | I21 V24 F26 E367 I430 L456 | I21-R428 HydrophobicContact CG2-CB 3.42Å; I21-R428 VanDerWaalsContact CG2-CB 3.42Å; I21-R428 HydrophobicContact CG2-CG 4.31Å; I21-R428 WeakPolarHBondContact O-CD 3.34Å; I21-R428 PolarHBondContact O-NH1 3.27Å; V24-R428 PolarHBondContact O-NH1 2.9Å; V24-R428 PolarHBondContact O-NH2 2.81Å; F26-R428 VanDerWaalsContact CE2-NH1 3.31Å; E367-R428 WeakPolarHBondContact OE2-CA 3.17Å; R428-I430 HydrophobicContact CG-CD1 4.41Å; R428-I430 HydrophobicContact CG-CG1 3.97Å; R428-L456 PolarHBondContact N-O 2.99Å; R428-L456 PolarHBondContact O-N 3.21Å |
| 429 | L | 88 | Confident | 69.3 | Low | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.5 | 172.5 | -178.6 | 65.5 | 0 | 0 | 0 | 109.9 | E367 A369 L398 H400 L407 | E367-L429 HydrophobicContact CB-CB 4.02Å; E367-L429 PolarHBondContact OE2-N 3.23Å; A369-L429 HydrophobicContact CB-CD1 4.24Å; A369-L429 HydrophobicContact CB-CD2 3.85Å; A369-L429 HydrophobicContact CB-CG 3.91Å; L398-L429 HydrophobicContact CB-CD2 3.97Å; H400-L429 HydrophobicContact CB-CB 3.97Å; H400-L429 HydrophobicContact CB-CD2 4.08Å; L407-L429 HydrophobicContact CD1-CD1 4.41Å; L407-L429 HydrophobicContact CD1-CD2 4.19Å |
| 430 | I | 84.2 | Confident | 67.4 | Low | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.7 | -178.8 | -58.5 | 174.7 | 0 | 0 | 0 | 109.1 | F26 I28 R428 T453 V454 L456 | F26-I430 HydrophobicContact CB-CD1 3.6Å; F26-I430 HydrophobicContact CD1-CD1 4.31Å; F26-I430 HydrophobicContact CD2-CD1 3.76Å; F26-I430 HydrophobicContact CG-CD1 3.65Å; I28-I430 HydrophobicContact CD1-CD1 4.06Å; I28-I430 HydrophobicContact CD1-CG2 4.18Å; R428-I430 HydrophobicContact CG-CD1 4.41Å; R428-I430 HydrophobicContact CG-CG1 3.97Å; I430-T453 WeakPolarHBondContact O-CA 3.46Å; I430-V454 PolarHBondContact N-O 3.09Å; I430-V454 PolarHBondContact O-N 3.04Å; I430-L456 HydrophobicContact CD1-CD1 3.3Å; I430-L456 HydrophobicContact CD1-CG 3.98Å |
| 431 | Q | 84.8 | Confident | 65.2 | Low | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.3 | 167.9 | -171.6 | 173.7 | -18.2 | 0 | 0 | 109.5 | A329 I330 A369 | A329-Q431 VanDerWaalsContact CB-OE1 3.23Å; I330-Q431 PolarHBondContact O-NE2 2.9Å; A369-Q431 HydrophobicContact CB-CB 3.96Å; A369-Q431 HydrophobicContact CB-CG 4.48Å |
| 432 | T | 75.7 | Confident | 62.7 | Low | 12 Ų | 12 | 66.6 Ų | 66.6 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | trans | -74.6 | 149.4 | -179.9 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | I28 R434 Y451 Q452 V454 | I28-T432 HydrophobicContact CG2-CG2 4.21Å; I28-T432 WeakPolarHBondContact O-CA 3.48Å; T432-R434 PolarHBondContact O-N 3.42Å; T432-Y451 WeakPolarHBondContact CB-O 3.3Å; T432-Y451 WeakPolarHBondContact CG2-O 3.38Å; T432-Y451 PolarHBondContact OG1-O 2.89Å; T432-Q452 PolarHBondContact N-O 2.89Å; T432-Q452 VanDerWaalsContact OG1-C 3.3Å; T432-Q452 WeakPolarHBondContact OG1-CA 3.42Å; T432-Q452 PolarHBondContact OG1-O 3.11Å; T432-V454 HydrophobicContact CG2-CG2 3.85Å | ||
| 433 | E | 65.3 | Low | 60.1 | Low | 55 Ų | 55 | 63.4 Ų | 63.4 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 111.4 | 175 | -69.1 | 172.8 | -144.2 | 0 | 0 | 109.9 | S27 I28 S30 S72 C73 Q435 | S27-E433 WeakPolarHBondContact CB-OE1 3.47Å; S27-E433 VanDerWaalsContact OG-CD 3.32Å; S27-E433 PolarHBondContact OG-OE1 3.45Å; I28-E433 PolarHBondContact O-N 3Å; S30-E433 PolarHBondContact N-O 3.18Å; S72-E433 WeakPolarHBondContact CB-OE2 3.3Å; S72-E433 PolarHBondContact OG-OE2 3.29Å; C73-E433 PolarHBondContact N-OE2 3.36Å; E433-Q435 PolarHBondContact O-N 3.09Å |
| 434 | R | 59.1 | Low | 57.7 | Low | 98 Ų | 98 | 70.1 Ų | 70.1 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | trans | -66.9 | 117.6 | 167.9 | -106.8 | -167.4 | -174.1 | 163 | 10.6 | 108.2 | E372 T432 N436 | E372-R434 IonicContact OE2-CZ 2.71Å; E372-R434 IonicContact OE2-NH1 3.63Å; E372-R434 PolarHBondContact OE2-NH1 3.49Å; E372-R434 IonicContact OE2-NH2 3.62Å; E372-R434 PolarHBondContact OE2-NH2 3.23Å; T432-R434 PolarHBondContact O-N 3.42Å; R434-N436 PolarHBondContact O-N 2.95Å | ||
| 435 | Q | 54.9 | Low | 55.9 | Low | 28 Ų | 28 | 70.2 Ų | 70.2 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | trans | -71.2 | 80.4 | 174.7 | -64.7 | 176.6 | -9.5 | 0 | 0 | 109.5 | N90 E433 Y437 | N90-Q435 PolarHBondContact OD1-NE2 2.81Å; E433-Q435 PolarHBondContact O-N 3.09Å; Q435-Y437 PolarHBondContact O-N 2.87Å | ||
| 436 | N | 47.8 | Very low | 54.2 | Low | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | trans | -71.1 | -16.5 | -179.8 | -77.5 | -1.9 | 0 | 0 | 0 | 112.8 | H334 R434 M438 | H334-N436 PolarHBondContact NE2-ND2 2.82Å; R434-N436 PolarHBondContact O-N 2.95Å; N436-M438 PolarHBondContact O-N 2.74Å | ||
| 437 | Y | 44.4 | Very low | 52.7 | Low | 22 Ų | 22 | 73.4 Ų | 73.4 | 9% | 0.086 | 36% | 0.364 | C | S | . | . | trans | -79.9 | 60.7 | 171.1 | -165.8 | -106.9 | 0 | 0 | 0 | 111 | F76 G130 L146 D147 E150 Q435 | F76-Y437 AromaticContact CD1-CD1 3.94Å; F76-Y437 HydrophobicContact CD1-CD1 3.94Å; F76-Y437 AromaticContact CD1-CE1 3.66Å; F76-Y437 HydrophobicContact CD1-CE1 3.66Å; F76-Y437 HydrophobicContact CE1-CD1 4.01Å; F76-Y437 AromaticContact CE1-CE1 3.8Å; F76-Y437 HydrophobicContact CE1-CE1 3.8Å; G130-Y437 VanDerWaalsContact O-CD2 3.3Å; G130-Y437 WeakPolarHBondContact O-CD2 3.34Å; L146-Y437 HydrophobicContact CB-CD2 4.47Å; L146-Y437 HydrophobicContact CB-CE2 4.13Å; L146-Y437 HydrophobicContact CD2-CD1 3.99Å; L146-Y437 HydrophobicContact CD2-CD2 3.33Å; L146-Y437 HydrophobicContact CD2-CE1 4.4Å; L146-Y437 HydrophobicContact CD2-CE2 3.75Å; L146-Y437 HydrophobicContact CD2-CG 3.41Å; L146-Y437 VanDerWaalsContact CD2-CG 3.41Å; L146-Y437 HydrophobicContact CG-CD1 4.48Å; L146-Y437 HydrophobicContact CG-CD2 4.03Å; L146-Y437 HydrophobicContact CG-CE1 4.43Å; L146-Y437 HydrophobicContact CG-CE2 3.91Å; L146-Y437 HydrophobicContact CG-CG 4.26Å; D147-Y437 PolarHBondContact OD1-OH 3.11Å; E150-Y437 WeakPolarHBondContact OE2-CE1 3.5Å; E150-Y437 PolarHBondContact OE2-OH 2.79Å; Q435-Y437 PolarHBondContact O-N 2.87Å | ||
| 438 | M | 41.1 | Very low | 50.9 | Low | 49 Ų | 49 | 78.8 Ų | 78.8 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -100.8 | 117.5 | 152.4 | -71.7 | -153.1 | -170.6 | 0 | 0 | 105.6 | N436 T440 F446 | N436-M438 PolarHBondContact O-N 2.74Å; M438-T440 PolarHBondContact O-N 2.9Å; M438-F446 HydrophobicContact CE-CD2 4.43Å; M438-F446 HydrophobicContact CE-CG 4.38Å; M438-F446 HydrophobicContact SD-CD2 3.84Å; M438-F446 HydrophobicContact SD-CE2 4.34Å; M438-F446 HydrophobicContact SD-CG 4.34Å |
| 439 | N | 38.4 | Very low | 49 | Very low | 90 Ų | 90 | 83.9 Ų | 83.9 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | trans | -36.2 | 108.7 | 168.2 | -106.4 | -34.7 | 0 | 0 | 0 | 108.7 | I441 R442 | N439-I441 PolarHBondContact O-N 2.82Å; N439-R442 PolarHBondContact O-N 2.82Å | ||
| 440 | T | 36.5 | Very low | 47.7 | Very low | 119 Ų | 119 | 86.2 Ų | 86.2 | 73% | 0.73 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 6.1 | -166.7 | 43.1 | 0 | 0 | 0 | 0 | 114 | M438 | M438-T440 PolarHBondContact O-N 2.9Š|
| 441 | I | 36.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 90.9 Ų | 90.9 | 75% | 0.749 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.4 | 177.3 | -57.1 | 178.6 | 0 | 0 | 0 | 111.4 | N439 | N439-I441 PolarHBondContact O-N 2.82Š|
| 442 | R | 33.5 | Very low | 46 | Very low | 158 Ų | 158 | 90.2 Ų | 90.2 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -133.2 | 30.1 | -176.7 | -61 | -169.3 | -173.7 | -137.5 | 1.2 | 116.1 | N439 N444 D1198 | N439-R442 PolarHBondContact O-N 2.82Å; R442-N444 PolarHBondContact O-N 3.1Å; R442-N444 VanDerWaalsContact O-N 3.09Å; R442-D1198 IonicContact CZ-OD1 3.63Å; R442-D1198 IonicContact CZ-OD2 3.52Å; R442-D1198 VanDerWaalsContact NH1-CG 3.31Å; R442-D1198 IonicContact NH1-OD1 3.84Å; R442-D1198 PolarHBondContact NH1-OD1 3.15Å; R442-D1198 IonicContact NH1-OD2 2.75Å; R442-D1198 PolarHBondContact NH1-OD2 3.39Å; R442-D1198 IonicContact NH2-OD1 3.23Å |
| 443 | S | 28.6 | Very low | 46.2 | Very low | 79 Ų | 79 | 89.8 Ų | 89.8 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -1.7 | -176.3 | 66 | 0 | 0 | 0 | 0 | 116 | ||
| 444 | N | 31.4 | Very low | 47 | Very low | 159 Ų | 159 | 87.1 Ų | 87.1 | 85% | 0.85 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.3 | -174.3 | -87.4 | 2.4 | 0 | 0 | 0 | 115 | R442 | R442-N444 PolarHBondContact O-N 3.1Å; R442-N444 VanDerWaalsContact O-N 3.09Å |
| 445 | E | 32.2 | Very low | 48.2 | Very low | 117 Ų | 117 | 83.2 Ų | 83.2 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -112.3 | 2.9 | -173.6 | -67.4 | -161.8 | 147.2 | 0 | 0 | 116.1 | K1199 | E445-K1199 VanDerWaalsContact OE1-CE 3.29Å; E445-K1199 WeakPolarHBondContact OE1-CE 3.26Å |
| 446 | F | 29.7 | Very low | 49.4 | Very low | 126 Ų | 126 | 82.4 Ų | 82.4 | 55% | 0.553 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -103.7 | 111.9 | 179 | -65.8 | -75 | 0 | 0 | 0 | 111.8 | M438 L448 | M438-F446 HydrophobicContact CE-CD2 4.43Å; M438-F446 HydrophobicContact CE-CG 4.38Å; M438-F446 HydrophobicContact SD-CD2 3.84Å; M438-F446 HydrophobicContact SD-CE2 4.34Å; M438-F446 HydrophobicContact SD-CG 4.34Å; F446-L448 PolarHBondContact O-N 3.08Å |
| 447 | N | 33.7 | Very low | 50.8 | Low | 112 Ų | 112 | 80.8 Ų | 80.8 | 60% | 0.599 | 40% | 0.403 | S | S | * | . | trans | -34.4 | 129 | 174.3 | -81.6 | -35.1 | 0 | 0 | 0 | 112.9 | N449 Y450 | N447-N449 PolarHBondContact O-N 2.82Å; N447-Y450 VanDerWaalsContact O-CE2 3.3Å; N447-Y450 WeakPolarHBondContact O-CE2 3.45Å | ||
| 448 | L | 40.2 | Very low | 52 | Low | 120 Ų | 120 | 81.3 Ų | 81.3 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -70.2 | 7 | 175.7 | -72.8 | 166.2 | 0 | 0 | 0 | 113.9 | F446 Y450 | F446-L448 PolarHBondContact O-N 3.08Å; L448-Y450 PolarHBondContact O-N 2.74Å |
| 449 | N | 43.5 | Very low | 53.3 | Low | 142 Ų | 142 | 81.2 Ų | 81.2 | 76% | 0.759 | 42% | 0.415 | S | S | * | . | trans | -79.4 | 39 | -178.5 | -70.3 | 3.5 | 0 | 0 | 0 | 112.7 | N447 | N447-N449 PolarHBondContact O-N 2.82Š| ||
| 450 | Y | 59.9 | Low | 54.8 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | trans | -80.7 | 126.6 | 171.4 | -71.6 | -62.2 | 0 | 0 | 0 | 109.2 | S30 D31 N447 L448 Q452 | S30-Y450 WeakPolarHBondContact O-CD1 3.49Å; S30-Y450 WeakPolarHBondContact OG-CD1 3.48Å; D31-Y450 HydrophobicContact CB-CE1 4.31Å; N447-Y450 VanDerWaalsContact O-CE2 3.3Å; N447-Y450 WeakPolarHBondContact O-CE2 3.45Å; L448-Y450 PolarHBondContact O-N 2.74Å; Y450-Q452 PolarHBondContact O-N 3.5Å | ||
| 451 | Y | 60.1 | Low | 56.6 | Low | 115 Ų | 115 | 73.7 Ų | 73.7 | 45% | 0.451 | 38% | 0.375 | S | S | . | . | trans | -64.7 | 119.8 | 171.6 | -58.1 | -70.9 | 0 | 0 | 0 | 107.9 | S30 V32 T432 T464 | S30-Y451 PolarHBondContact O-N 2.79Å; V32-Y451 HydrophobicContact CB-CD2 3.81Å; V32-Y451 HydrophobicContact CB-CE2 4.36Å; V32-Y451 HydrophobicContact CG2-CD2 3.43Å; V32-Y451 VanDerWaalsContact CG2-CD2 3.43Å; V32-Y451 HydrophobicContact CG2-CE2 4.42Å; V32-Y451 HydrophobicContact CG2-CG 3.95Å; T432-Y451 WeakPolarHBondContact CB-O 3.3Å; T432-Y451 WeakPolarHBondContact CG2-O 3.38Å; T432-Y451 PolarHBondContact OG1-O 2.89Å; Y451-T464 VanDerWaalsContact CD1-CB 3.47Å; Y451-T464 HydrophobicContact CD1-CG2 3.35Å; Y451-T464 HydrophobicContact CD2-CG2 4.31Å; Y451-T464 HydrophobicContact CE1-CG2 3.63Å; Y451-T464 HydrophobicContact CG-CG2 3.71Å | ||
| 452 | Q | 73.5 | Confident | 58.4 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -87.9 | -29.2 | -175.9 | -59.2 | 176.5 | 47.7 | 0 | 0 | 111.8 | L371 E372 T432 Y450 | L371-Q452 HydrophobicContact CD1-CB 4.08Å; E372-Q452 PolarHBondContact O-NE2 3.05Å; T432-Q452 PolarHBondContact N-O 2.89Å; T432-Q452 VanDerWaalsContact OG1-C 3.3Å; T432-Q452 WeakPolarHBondContact OG1-CA 3.42Å; T432-Q452 PolarHBondContact OG1-O 3.11Å; Y450-Q452 PolarHBondContact O-N 3.5Å | ||
| 453 | T | 79.3 | Confident | 60.5 | Low | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.2 | -176.6 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | A369 F370 L398 I430 | A369-T453 HydrophobicContact CB-CG2 3.46Å; A369-T453 VanDerWaalsContact CB-CG2 3.46Å; F370-T453 VanDerWaalsContact O-CG2 3.22Å; F370-T453 WeakPolarHBondContact O-CG2 3.31Å; L398-T453 HydrophobicContact CD1-CG2 4.15Å; I430-T453 WeakPolarHBondContact O-CA 3.46Å |
| 454 | V | 83.1 | Confident | 62.8 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142 | -177.1 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | I28 V32 I430 T432 L456 I462 T464 | I28-V454 HydrophobicContact CD1-CG1 4.38Å; V32-V454 HydrophobicContact CG2-CG2 4.23Å; I430-V454 PolarHBondContact N-O 3.09Å; I430-V454 PolarHBondContact O-N 3.04Å; T432-V454 HydrophobicContact CG2-CG2 3.85Å; V454-L456 HydrophobicContact CG1-CD2 4.35Å; V454-I462 HydrophobicContact CG1-CG2 3.15Å; V454-T464 HydrophobicContact CG2-CG2 4.45Å |
| 455 | L | 83.5 | Confident | 64.7 | Low | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.1 | 178.7 | -173.8 | 139.2 | 0 | 0 | 0 | 108.8 | L407 V427 Y463 | L407-L455 HydrophobicContact CD1-CD1 4.41Å; L407-L455 HydrophobicContact CD2-CD1 3.69Å; V427-L455 HydrophobicContact CB-CD2 4.44Å; V427-L455 HydrophobicContact CG1-CD1 3.64Å; V427-L455 HydrophobicContact CG1-CD2 3.31Å; V427-L455 HydrophobicContact CG1-CG 3.21Å; V427-L455 HydrophobicContact CG2-CD2 4.24Å; L455-Y463 HydrophobicContact CD2-CD2 3.61Å; L455-Y463 HydrophobicContact CD2-CE2 4.37Å; L455-Y463 HydrophobicContact CD2-CG 4.25Å; L455-Y463 PolarHBondContact N-O 3.01Å; L455-Y463 WeakPolarHBondContact O-CD2 3.37Å; L455-Y463 PolarHBondContact O-N 2.85Å |
| 456 | L | 81.3 | Confident | 66.2 | Low | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.7 | -179.8 | -66.3 | -179.4 | 0 | 0 | 0 | 109.9 | F26 V427 R428 I430 V454 I462 | F26-L456 HydrophobicContact CD1-CD1 3.84Å; F26-L456 HydrophobicContact CD2-CD1 4.41Å; F26-L456 HydrophobicContact CE1-CD1 3.64Å; F26-L456 HydrophobicContact CE2-CD1 4.25Å; F26-L456 HydrophobicContact CG-CD1 4.23Å; F26-L456 HydrophobicContact CZ-CD1 3.87Å; V427-L456 CarbonylContact C-O 3.35Å; V427-L456 VanDerWaalsContact CA-O 3.22Å; V427-L456 WeakPolarHBondContact CA-O 3.11Å; R428-L456 PolarHBondContact N-O 2.99Å; R428-L456 PolarHBondContact O-N 3.21Å; I430-L456 HydrophobicContact CD1-CD1 3.3Å; I430-L456 HydrophobicContact CD1-CG 3.98Å; V454-L456 HydrophobicContact CG1-CD2 4.35Å; L456-I462 HydrophobicContact CD2-CB 4.05Å; L456-I462 HydrophobicContact CD2-CD1 3.75Å; L456-I462 HydrophobicContact CD2-CG1 3.47Å; L456-I462 VanDerWaalsContact CD2-CG1 3.47Å; L456-I462 HydrophobicContact CD2-CG2 3.95Å |
| 457 | D | 76.7 | Confident | 67.9 | Low | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | trans | -95.3 | 172.3 | 175.5 | 73 | 16.8 | 0 | 0 | 0 | 113.9 | I21 V427 S459 G460 S461 Y463 | I21-D457 WeakPolarHBondContact CD1-O 3.26Å; V427-D457 HydrophobicContact CG2-CB 3.93Å; D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 VanDerWaalsContact OD1-C 3.23Å; D457-S459 VanDerWaalsContact OD1-CA 3.28Å; D457-S459 WeakPolarHBondContact OD1-CA 3Å; D457-S459 WeakPolarHBondContact OD1-CB 3.14Å; D457-S459 PolarHBondContact OD1-N 2.97Å; D457-S459 PolarHBondContact OD1-OG 3.09Å; D457-S459 PolarHBondContact OD2-OG 2.8Å; D457-G460 VanDerWaalsContact O-CA 3.27Å; D457-G460 WeakPolarHBondContact O-CA 3.39Å; D457-G460 PolarHBondContact O-N 2.84Å; D457-G460 PolarHBondContact OD1-N 3.2Å; D457-S461 PolarHBondContact N-O 2.9Å; D457-S461 VanDerWaalsContact N-O 3.11Å; D457-S461 PolarHBondContact OD1-N 2.83Å; D457-S461 WeakPolarHBondContact OD2-CB 3.44Å; D457-Y463 HydrophobicContact CB-CE2 3.91Å; D457-Y463 WeakPolarHBondContact OD2-CE2 3.5Å; D457-Y463 PolarHBondContact OD2-OH 3.41Å | ||
| 458 | S | 70.4 | Confident | 69.2 | Low | 33 Ų | 33 | 53.1 Ų | 53.1 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.7 | 177 | 84.5 | 0 | 0 | 0 | 0 | 114 | I21 E425 P426 G460 | I21-S458 VanDerWaalsContact CD1-CA 3.46Å; E425-S458 PolarHBondContact OE2-OG 3.48Å; P426-S458 PolarHBondContact O-N 3.13Å; P426-S458 VanDerWaalsContact O-N 3.17Å; S458-G460 PolarHBondContact O-N 3.07Å |
| 459 | S | 68.4 | Low | 70.3 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.7 | 172.8 | 85.7 | 0 | 0 | 0 | 0 | 112.9 | M1 S2 D457 S461 | M1-S459 CarbonylContact C-O 3.57Å; M1-S459 CarbonylContact O-C 3.58Å; S2-S459 VanDerWaalsContact CA-O 3.28Å; S2-S459 WeakPolarHBondContact CA-O 3.5Å; D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 VanDerWaalsContact OD1-C 3.23Å; D457-S459 VanDerWaalsContact OD1-CA 3.28Å; D457-S459 WeakPolarHBondContact OD1-CA 3Å; D457-S459 WeakPolarHBondContact OD1-CB 3.14Å; D457-S459 PolarHBondContact OD1-N 2.97Å; D457-S459 PolarHBondContact OD1-OG 3.09Å; D457-S459 PolarHBondContact OD2-OG 2.8Å; S459-S461 PolarHBondContact O-N 2.87Å; S459-S461 PolarHBondContact OG-N 3.35Å; S459-S461 PolarHBondContact OG-OG 2.9Å |
| 460 | G | 68.8 | Low | 71.2 | Confident | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | trans | 60 | 23 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 D457 S458 | M1-G460 WeakPolarHBondContact CA-O 3.17Å; M1-G460 VanDerWaalsContact CB-O 3.31Å; M1-G460 WeakPolarHBondContact CB-O 3.36Å; M1-G460 PolarHBondContact N-O 2.8Å; M1-G460 CarbonylContact O-C 3.59Å; M1-G460 WeakPolarHBondContact O-CA 3.26Å; M1-G460 PolarHBondContact O-N 3.2Å; D457-G460 VanDerWaalsContact O-CA 3.27Å; D457-G460 WeakPolarHBondContact O-CA 3.39Å; D457-G460 PolarHBondContact O-N 2.84Å; D457-G460 PolarHBondContact OD1-N 3.2Å; S458-G460 PolarHBondContact O-N 3.07Å | ||
| 461 | S | 73.6 | Confident | 71.2 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | trans | -71.8 | 148.3 | 164.8 | -54.9 | 0 | 0 | 0 | 0 | 110 | D457 S459 | D457-S461 PolarHBondContact N-O 2.9Å; D457-S461 VanDerWaalsContact N-O 3.11Å; D457-S461 PolarHBondContact OD1-N 2.83Å; D457-S461 WeakPolarHBondContact OD2-CB 3.44Å; S459-S461 PolarHBondContact O-N 2.87Å; S459-S461 PolarHBondContact OG-N 3.35Å; S459-S461 PolarHBondContact OG-OG 2.9Å | ||
| 462 | I | 76.2 | Confident | 71.3 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 21% | 0.205 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.6 | -170.4 | -49.6 | -163.2 | 0 | 0 | 0 | 108 | I35 F56 V454 L456 | I35-I462 HydrophobicContact CD1-CD1 3.02Å; I35-I462 HydrophobicContact CG1-CD1 4.47Å; F56-I462 HydrophobicContact CD2-CD1 4.03Å; F56-I462 HydrophobicContact CE2-CD1 3.88Å; V454-I462 HydrophobicContact CG1-CG2 3.15Å; L456-I462 HydrophobicContact CD2-CB 4.05Å; L456-I462 HydrophobicContact CD2-CD1 3.75Å; L456-I462 HydrophobicContact CD2-CG1 3.47Å; L456-I462 VanDerWaalsContact CD2-CG1 3.47Å; L456-I462 HydrophobicContact CD2-CG2 3.95Å |
| 463 | Y | 76.9 | Confident | 70.7 | Confident | 114 Ų | 114 | 35.3 Ų | 35.3 | 45% | 0.447 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130 | 179.8 | -50.7 | -91 | 0 | 0 | 0 | 109.4 | L455 D457 | L455-Y463 HydrophobicContact CD2-CD2 3.61Å; L455-Y463 HydrophobicContact CD2-CE2 4.37Å; L455-Y463 HydrophobicContact CD2-CG 4.25Å; L455-Y463 PolarHBondContact N-O 3.01Å; L455-Y463 WeakPolarHBondContact O-CD2 3.37Å; L455-Y463 PolarHBondContact O-N 2.85Å; D457-Y463 HydrophobicContact CB-CE2 3.91Å; D457-Y463 WeakPolarHBondContact OD2-CE2 3.5Å; D457-Y463 PolarHBondContact OD2-OH 3.41Å |
| 464 | T | 75.8 | Confident | 69.6 | Low | 61 Ų | 61 | 36.7 Ų | 36.7 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 145.8 | 171.8 | 57.1 | 0 | 0 | 0 | 0 | 108.7 | Y451 V454 | Y451-T464 VanDerWaalsContact CD1-CB 3.47Å; Y451-T464 HydrophobicContact CD1-CG2 3.35Å; Y451-T464 HydrophobicContact CD2-CG2 4.31Å; Y451-T464 HydrophobicContact CE1-CG2 3.63Å; Y451-T464 HydrophobicContact CG-CG2 3.71Å; V454-T464 HydrophobicContact CG2-CG2 4.45Å |
| 465 | I | 71.6 | Confident | 68.4 | Low | 33 Ų | 33 | 43.3 Ų | 43.3 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | trans | -103.2 | 101.5 | -176 | -57.1 | 170.7 | 0 | 0 | 0 | 107.8 | L371 L398 L407 L467 | L371-I465 HydrophobicContact CD2-CG2 4.37Å; L398-I465 HydrophobicContact CD1-CD1 3.56Å; L398-I465 HydrophobicContact CD2-CD1 4.17Å; L407-I465 HydrophobicContact CD2-CD1 3.86Å; I465-L467 HydrophobicContact CG2-CD1 4.42Å; I465-L467 HydrophobicContact CG2-CD2 3.74Å; I465-L467 HydrophobicContact CG2-CG 3.83Å | ||
| 466 | D | 65 | Low | 67 | Low | 156 Ų | 156 | 45.2 Ų | 45.2 | 83% | 0.834 | 26% | 0.257 | S | S | * | . | trans | -94.1 | 117.5 | 170 | -170.3 | 13.8 | 0 | 0 | 0 | 109.7 | ||||
| 467 | L | 63.9 | Low | 65.7 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | trans | -114.3 | 126 | -179.5 | -62.3 | -174.8 | 0 | 0 | 0 | 110.3 | L371 V373 L409 W421 I465 A469 | L371-L467 HydrophobicContact CD2-CD1 3.22Å; L371-L467 HydrophobicContact CD2-CG 3.81Å; V373-L467 HydrophobicContact CG2-CB 4.32Å; V373-L467 HydrophobicContact CG2-CD1 4.15Å; L409-L467 HydrophobicContact CD1-CD1 4.05Å; L409-L467 HydrophobicContact CD2-CD1 3.34Å; L409-L467 HydrophobicContact CG-CD1 4.34Å; W421-L467 HydrophobicContact CH2-CD2 3.8Å; W421-L467 HydrophobicContact CZ2-CD2 3.9Å; I465-L467 HydrophobicContact CG2-CD1 4.42Å; I465-L467 HydrophobicContact CG2-CD2 3.74Å; I465-L467 HydrophobicContact CG2-CG 3.83Å; L467-A469 PolarHBondContact O-N 3.28Å | ||
| 468 | N | 62.3 | Low | 64.9 | Low | 33 Ų | 33 | 54.5 Ų | 54.5 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | trans | -66.5 | 127.3 | 168.4 | -177.5 | 13.6 | 0 | 0 | 0 | 109.9 | G470 L471 W525 R528 | N468-G470 PolarHBondContact O-N 2.95Å; N468-L471 HydrophobicContact CB-CD1 4.21Å; N468-L471 PolarHBondContact O-N 2.69Å; N468-L471 VanDerWaalsContact O-N 3.14Å; N468-W525 WeakPolarHBondContact ND2-CH2 3.17Å; N468-W525 VanDerWaalsContact ND2-CZ2 3.31Å; N468-W525 WeakPolarHBondContact ND2-CZ2 3.38Å; N468-R528 PolarHBondContact ND2-NH1 2.87Å; N468-R528 PolarHBondContact OD1-NH1 2.83Å; N468-R528 VanDerWaalsContact OD1-NH1 3.12Å; N468-R528 PolarHBondContact OD1-NH2 3.33Å | ||
| 469 | A | 63.7 | Low | 64.3 | Low | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.8 | -36.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V373 D375 L467 L471 C472 L473 | V373-A469 HydrophobicContact CG1-CB 4Å; D375-A469 HydrophobicContact CB-CB 4.13Å; L467-A469 PolarHBondContact O-N 3.28Å; A469-L471 VanDerWaalsContact C-N 3.32Å; A469-L471 PolarHBondContact O-N 3.05Å; A469-C472 PolarHBondContact O-N 3.02Å; A469-L473 HydrophobicContact CB-CD1 3.99Å; A469-L473 VanDerWaalsContact O-CB 3.31Å; A469-L473 WeakPolarHBondContact O-CB 3.09Å; A469-L473 VanDerWaalsContact O-CG 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.13Å; A469-L473 PolarHBondContact O-N 3.39Å |
| 470 | G | 60.9 | Low | 63.7 | Low | 20 Ų | 20 | 55.4 Ų | 55.4 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.8 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N468 C472 L473 S474 | N468-G470 PolarHBondContact O-N 2.95Å; G470-C472 VanDerWaalsContact C-N 3.28Å; G470-C472 PolarHBondContact O-N 3.05Å; G470-L473 PolarHBondContact O-N 3.12Å; G470-S474 PolarHBondContact O-N 2.91Å |
| 471 | L | 60.8 | Low | 63.1 | Low | 37 Ų | 37 | 57.7 Ų | 57.7 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -30.2 | 178 | -75.2 | 157.7 | 0 | 0 | 0 | 113.1 | I418 N468 A469 S474 D483 | I418-L471 WeakPolarHBondContact CG2-O 3.36Å; N468-L471 HydrophobicContact CB-CD1 4.21Å; N468-L471 PolarHBondContact O-N 2.69Å; N468-L471 VanDerWaalsContact O-N 3.14Å; A469-L471 VanDerWaalsContact C-N 3.32Å; A469-L471 PolarHBondContact O-N 3.05Å; L471-S474 PolarHBondContact O-OG 2.89Å; L471-D483 HydrophobicContact CD2-CB 4.08Å; L471-D483 HydrophobicContact CG-CB 4.42Å |
| 472 | C | 61.7 | Low | 62.7 | Low | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -91.2 | -21.4 | -177.6 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | V373 A469 G470 | V373-C472 HydrophobicContact CB-CB 4.38Å; V373-C472 HydrophobicContact CG1-CB 4.17Å; V373-C472 HydrophobicContact CG2-CB 4.4Å; A469-C472 PolarHBondContact O-N 3.02Å; G470-C472 VanDerWaalsContact C-N 3.28Å; G470-C472 PolarHBondContact O-N 3.05Å |
| 473 | L | 60.6 | Low | 62.2 | Low | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -101.8 | -6.5 | -176.7 | -64.7 | 175.6 | 0 | 0 | 0 | 113.4 | D375 R392 T394 A469 G470 D475 | D375-L473 HydrophobicContact CB-CD1 3.85Å; R392-L473 HydrophobicContact CB-CD1 4.01Å; R392-L473 HydrophobicContact CB-CD2 4.32Å; T394-L473 WeakPolarHBondContact OG1-CD2 3.39Å; A469-L473 HydrophobicContact CB-CD1 3.99Å; A469-L473 VanDerWaalsContact O-CB 3.31Å; A469-L473 WeakPolarHBondContact O-CB 3.09Å; A469-L473 VanDerWaalsContact O-CG 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.13Å; A469-L473 PolarHBondContact O-N 3.39Å; G470-L473 PolarHBondContact O-N 3.12Å; L473-D475 PolarHBondContact O-N 3.02Å |
| 474 | S | 57.1 | Low | 61.7 | Low | 30 Ų | 30 | 57.5 Ų | 57.5 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | trans | -58.8 | 128.1 | 174.9 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | G470 L471 T476 | G470-S474 PolarHBondContact O-N 2.91Å; L471-S474 PolarHBondContact O-OG 2.89Å; S474-T476 VanDerWaalsContact C-N 3.29Å; S474-T476 PolarHBondContact O-N 3.47Å | ||
| 475 | D | 56.9 | Low | 61.5 | Low | 139 Ų | 139 | 59.7 Ų | 59.7 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -76.4 | -21.2 | -176.8 | -74.2 | -38.6 | 0 | 0 | 0 | 111.1 | L473 E479 | L473-D475 PolarHBondContact O-N 3.02Å; D475-E479 PolarHBondContact N-OE2 3.4Å |
| 476 | T | 55 | Low | 61.8 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.344 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -130.2 | 150 | -177.4 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | S474 T478 E479 A480 | S474-T476 VanDerWaalsContact C-N 3.29Å; S474-T476 PolarHBondContact O-N 3.47Å; T476-T478 PolarHBondContact O-N 3.4Å; T476-T478 VanDerWaalsContact O-N 3.17Å; T476-T478 PolarHBondContact OG1-OG1 3.23Å; T476-E479 PolarHBondContact N-OE2 2.99Å; T476-E479 PolarHBondContact O-N 3.46Å; T476-E479 WeakPolarHBondContact OG1-CG 3.29Å; T476-E479 PolarHBondContact OG1-N 2.9Å; T476-E479 PolarHBondContact OG1-OE1 2.91Å; T476-A480 PolarHBondContact O-N 2.9Å |
| 477 | N | 54.1 | Low | 62.1 | Low | 116 Ų | 116 | 54.8 Ų | 54.8 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.6 | -27.4 | 176.4 | -73.5 | -2.5 | 0 | 0 | 0 | 113.4 | A481 | N477-A481 PolarHBondContact O-N 2.67Å |
| 478 | T | 59.1 | Low | 62.8 | Low | 104 Ų | 104 | 58.6 Ų | 58.6 | 64% | 0.638 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.8 | -38.1 | 178.7 | 37.7 | 0 | 0 | 0 | 0 | 112.2 | T476 A481 V482 | T476-T478 PolarHBondContact O-N 3.4Å; T476-T478 VanDerWaalsContact O-N 3.17Å; T476-T478 PolarHBondContact OG1-OG1 3.23Å; T478-A481 PolarHBondContact O-N 3.04Å; T478-V482 WeakPolarHBondContact O-CG2 3.39Å; T478-V482 PolarHBondContact O-N 2.69Å |
| 479 | E | 57.6 | Low | 63.8 | Low | 82 Ų | 82 | 58.2 Ų | 58.2 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | 174.6 | -76.9 | 154.8 | -141.6 | 0 | 0 | 110.8 | D475 T476 A481 V482 D483 | D475-E479 PolarHBondContact N-OE2 3.4Å; T476-E479 PolarHBondContact N-OE2 2.99Å; T476-E479 PolarHBondContact O-N 3.46Å; T476-E479 WeakPolarHBondContact OG1-CG 3.29Å; T476-E479 PolarHBondContact OG1-N 2.9Å; T476-E479 PolarHBondContact OG1-OE1 2.91Å; E479-A481 VanDerWaalsContact C-N 3.26Å; E479-A481 PolarHBondContact O-N 3.48Å; E479-V482 PolarHBondContact O-N 3.43Å; E479-D483 PolarHBondContact O-N 3.37Å |
| 480 | A | 55.8 | Low | 64.5 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T476 Y484 | T476-A480 PolarHBondContact O-N 2.9Å; A480-Y484 WeakPolarHBondContact O-CB 3.26Å; A480-Y484 PolarHBondContact O-N 3.34Å |
| 481 | A | 57.4 | Low | 65.2 | Low | 55 Ų | 55 | 61.3 Ų | 61.3 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | N477 T478 E479 Q485 | N477-A481 PolarHBondContact O-N 2.67Å; T478-A481 PolarHBondContact O-N 3.04Å; E479-A481 VanDerWaalsContact C-N 3.26Å; E479-A481 PolarHBondContact O-N 3.48Å; A481-Q485 WeakPolarHBondContact O-CG 3.37Å; A481-Q485 PolarHBondContact O-N 2.97Å |
| 482 | V | 63.8 | Low | 66.3 | Low | 57 Ų | 57 | 64.6 Ų | 64.6 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66 | -47.7 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | T478 E479 Y484 Q485 E486 T522 | T478-V482 WeakPolarHBondContact O-CG2 3.39Å; T478-V482 PolarHBondContact O-N 2.69Å; E479-V482 PolarHBondContact O-N 3.43Å; V482-Y484 VanDerWaalsContact C-N 3.31Å; V482-Y484 PolarHBondContact O-N 3.32Å; V482-Q485 PolarHBondContact O-N 3.18Å; V482-Q485 VanDerWaalsContact O-N 3.13Å; V482-E486 PolarHBondContact O-N 2.8Å; V482-E486 VanDerWaalsContact O-N 3.11Å; V482-T522 HydrophobicContact CG1-CG2 4.36Å |
| 483 | D | 65.5 | Low | 67.4 | Low | 22 Ų | 22 | 64.1 Ų | 64.1 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 178.4 | -78.7 | -33 | 0 | 0 | 0 | 112.9 | L471 E479 E486 Y487 W525 | L471-D483 HydrophobicContact CD2-CB 4.08Å; L471-D483 HydrophobicContact CG-CB 4.42Å; E479-D483 PolarHBondContact O-N 3.37Å; D483-E486 PolarHBondContact O-N 2.81Å; D483-Y487 WeakPolarHBondContact O-CB 3.44Å; D483-Y487 PolarHBondContact O-N 2.93Å; D483-W525 HydrophobicContact CB-CZ2 4.29Å; D483-W525 WeakPolarHBondContact O-CZ2 3.43Å; D483-W525 PolarHBondContact OD1-NE1 2.72Å |
| 484 | Y | 66.5 | Low | 68.3 | Low | 115 Ų | 115 | 66.1 Ų | 66.1 | 45% | 0.451 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 177.9 | -177.4 | -109.1 | 0 | 0 | 0 | 113.2 | A480 V482 K488 | A480-Y484 WeakPolarHBondContact O-CB 3.26Å; A480-Y484 PolarHBondContact O-N 3.34Å; V482-Y484 VanDerWaalsContact C-N 3.31Å; V482-Y484 PolarHBondContact O-N 3.32Å; Y484-K488 HydrophobicContact CE1-CD 4.16Å; Y484-K488 PolarHBondContact O-N 3.28Å; Y484-K488 WeakPolarHBondContact OH-CE 3.47Å; Y484-K488 PolarHBondContact OH-NZ 3.27Å |
| 485 | Q | 72.3 | Confident | 69.4 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 175.3 | -73.6 | -176.3 | -4.8 | 0 | 0 | 111.1 | A481 V482 K488 I489 | A481-Q485 WeakPolarHBondContact O-CG 3.37Å; A481-Q485 PolarHBondContact O-N 2.97Å; V482-Q485 PolarHBondContact O-N 3.18Å; V482-Q485 VanDerWaalsContact O-N 3.13Å; Q485-K488 WeakPolarHBondContact O-CB 3.23Å; Q485-K488 PolarHBondContact O-N 2.69Å; Q485-I489 WeakPolarHBondContact O-CG1 3.4Å; Q485-I489 PolarHBondContact O-N 3.36Å |
| 486 | E | 78.7 | Confident | 70.5 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.2 | -32.8 | 179.1 | -62.9 | -166.5 | 114.5 | 0 | 0 | 112.7 | V482 D483 K488 I489 L490 F520 R521 T522 W525 | V482-E486 PolarHBondContact O-N 2.8Å; V482-E486 VanDerWaalsContact O-N 3.11Å; D483-E486 PolarHBondContact O-N 2.81Å; E486-K488 VanDerWaalsContact C-N 3.32Å; E486-K488 PolarHBondContact O-N 2.89Å; E486-I489 WeakPolarHBondContact O-CB 3.39Å; E486-I489 PolarHBondContact O-N 2.87Å; E486-L490 PolarHBondContact O-N 3.38Å; E486-F520 HydrophobicContact CB-CD1 4.42Å; E486-R521 WeakPolarHBondContact OE1-CA 3.22Å; E486-R521 PolarHBondContact OE1-N 2.76Å; E486-T522 PolarHBondContact OE1-N 2.85Å; E486-T522 PolarHBondContact OE1-OG1 2.88Å; E486-T522 WeakPolarHBondContact OE2-CB 3.31Å; E486-T522 WeakPolarHBondContact OE2-CG2 3.42Å; E486-T522 PolarHBondContact OE2-OG1 2.75Å; E486-W525 HydrophobicContact CB-CB 3.92Å; E486-W525 HydrophobicContact CB-CD2 3.85Å; E486-W525 HydrophobicContact CB-CG 3.49Å; E486-W525 VanDerWaalsContact CB-CG 3.49Å; E486-W525 HydrophobicContact CG-CG 4.42Å |
| 487 | Y | 71 | Confident | 71.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 169.6 | 179.3 | -110.6 | 0 | 0 | 0 | 112.7 | D483 I489 L490 Q491 W525 | D483-Y487 WeakPolarHBondContact O-CB 3.44Å; D483-Y487 PolarHBondContact O-N 2.93Å; Y487-I489 VanDerWaalsContact C-N 3.33Å; Y487-I489 PolarHBondContact O-N 3.2Å; Y487-L490 WeakPolarHBondContact O-CB 3.38Å; Y487-L490 PolarHBondContact O-N 2.85Å; Y487-Q491 HydrophobicContact CE1-CG 4.09Å; Y487-Q491 HydrophobicContact CE2-CG 4.36Å; Y487-Q491 PolarHBondContact O-N 3.03Å; Y487-Q491 PolarHBondContact OH-NE2 3.03Å; Y487-W525 AromaticContact CD2-CH2 3.62Å; Y487-W525 HydrophobicContact CD2-CH2 3.62Å; Y487-W525 AromaticContact CD2-CZ3 3.77Å; Y487-W525 HydrophobicContact CD2-CZ3 3.77Å; Y487-W525 HydrophobicContact CG-CH2 4.03Å; Y487-W525 HydrophobicContact CG-CZ3 4.37Å |
| 488 | K | 77.8 | Confident | 72.5 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.6 | -76.3 | -177.3 | 172.1 | 176.1 | 0 | 112.4 | Y484 Q485 E486 L490 Q491 K492 | Y484-K488 HydrophobicContact CE1-CD 4.16Å; Y484-K488 PolarHBondContact O-N 3.28Å; Y484-K488 WeakPolarHBondContact OH-CE 3.47Å; Y484-K488 PolarHBondContact OH-NZ 3.27Å; Q485-K488 WeakPolarHBondContact O-CB 3.23Å; Q485-K488 PolarHBondContact O-N 2.69Å; E486-K488 VanDerWaalsContact C-N 3.32Å; E486-K488 PolarHBondContact O-N 2.89Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-Q491 PolarHBondContact O-N 2.98Å; K488-K492 PolarHBondContact O-N 3.32Å; K488-K492 VanDerWaalsContact O-N 3.1Å |
| 489 | I | 83.6 | Confident | 73.2 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.6 | -61.3 | 167.3 | 0 | 0 | 0 | 109.4 | Q485 E486 Y487 Q491 K492 F493 E519 F520 | Q485-I489 WeakPolarHBondContact O-CG1 3.4Å; Q485-I489 PolarHBondContact O-N 3.36Å; E486-I489 WeakPolarHBondContact O-CB 3.39Å; E486-I489 PolarHBondContact O-N 2.87Å; Y487-I489 VanDerWaalsContact C-N 3.33Å; Y487-I489 PolarHBondContact O-N 3.2Å; I489-Q491 PolarHBondContact O-N 2.62Å; I489-K492 WeakPolarHBondContact O-CB 3.37Å; I489-K492 PolarHBondContact O-N 3.47Å; I489-F493 WeakPolarHBondContact O-CB 3.36Å; I489-F493 PolarHBondContact O-N 2.88Å; I489-E519 HydrophobicContact CD1-CB 3.91Å; I489-E519 HydrophobicContact CG1-CB 4.4Å; I489-E519 HydrophobicContact CG2-CB 3.93Å; I489-F520 HydrophobicContact CB-CD1 4.4Å; I489-F520 HydrophobicContact CB-CE1 3.93Å; I489-F520 HydrophobicContact CB-CZ 4.19Å; I489-F520 HydrophobicContact CG2-CD1 4.11Å; I489-F520 HydrophobicContact CG2-CD2 4.23Å; I489-F520 HydrophobicContact CG2-CE1 3.73Å; I489-F520 HydrophobicContact CG2-CE2 3.85Å; I489-F520 HydrophobicContact CG2-CG 4.36Å; I489-F520 HydrophobicContact CG2-CZ 3.59Å |
| 490 | L | 78.2 | Confident | 73.7 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.1 | -171 | 71.2 | 0 | 0 | 0 | 113 | E486 Y487 K488 K492 F493 Y494 F520 W525 R528 A529 | E486-L490 PolarHBondContact O-N 3.38Å; Y487-L490 WeakPolarHBondContact O-CB 3.38Å; Y487-L490 PolarHBondContact O-N 2.85Å; K488-L490 VanDerWaalsContact C-N 3.33Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.21Å; L490-F493 WeakPolarHBondContact O-CB 3.25Å; L490-F493 PolarHBondContact O-N 3.25Å; L490-Y494 HydrophobicContact CD1-CD1 4.45Å; L490-Y494 HydrophobicContact CD1-CE1 3.62Å; L490-Y494 HydrophobicContact CD2-CE2 4.1Å; L490-Y494 WeakPolarHBondContact CD2-OH 3.25Å; L490-Y494 HydrophobicContact CG-CE1 3.88Å; L490-Y494 HydrophobicContact CG-CE2 3.94Å; L490-Y494 PolarHBondContact O-N 2.86Å; L490-F520 HydrophobicContact CB-CE1 4.2Å; L490-F520 HydrophobicContact CB-CZ 4.16Å; L490-F520 HydrophobicContact CD1-CZ 4.07Å; L490-W525 HydrophobicContact CB-CE3 4.2Å; L490-W525 HydrophobicContact CB-CZ3 4.34Å; L490-W525 HydrophobicContact CD2-CE3 3.75Å; L490-W525 HydrophobicContact CD2-CZ3 3.57Å; L490-R528 HydrophobicContact CD1-CB 4.39Å; L490-R528 HydrophobicContact CD2-CB 4.36Å; L490-A529 HydrophobicContact CD1-CB 3.73Å |
| 491 | Q | 76.5 | Confident | 74.2 | Confident | 83 Ų | 83 | 60 Ų | 60 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 175.6 | -72.8 | -170.3 | -17.6 | 0 | 0 | 112.6 | Y487 K488 I489 F493 Y494 K495 | Y487-Q491 HydrophobicContact CE1-CG 4.09Å; Y487-Q491 HydrophobicContact CE2-CG 4.36Å; Y487-Q491 PolarHBondContact O-N 3.03Å; Y487-Q491 PolarHBondContact OH-NE2 3.03Å; K488-Q491 PolarHBondContact O-N 2.98Å; I489-Q491 PolarHBondContact O-N 2.62Å; Q491-F493 VanDerWaalsContact C-N 3.33Å; Q491-Y494 PolarHBondContact O-N 3.45Å; Q491-K495 PolarHBondContact O-N 3Å |
| 492 | K | 83.7 | Confident | 74.5 | Confident | 107 Ų | 107 | 62.4 Ų | 62.4 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.2 | -171.5 | 179.8 | 172.9 | -155.5 | 0 | 110.3 | K488 I489 L490 Y494 K495 T496 L516 E519 | K488-K492 PolarHBondContact O-N 3.32Å; K488-K492 VanDerWaalsContact O-N 3.1Å; I489-K492 WeakPolarHBondContact O-CB 3.37Å; I489-K492 PolarHBondContact O-N 3.47Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.21Å; K492-Y494 PolarHBondContact O-N 3.17Å; K492-K495 PolarHBondContact O-N 3.49Å; K492-T496 PolarHBondContact O-N 2.8Å; K492-T496 PolarHBondContact O-OG1 3.05Å; K492-T496 VanDerWaalsContact O-OG1 3.09Å; K492-L516 HydrophobicContact CD-CD2 3.57Å; K492-L516 HydrophobicContact CG-CD1 4.14Å; K492-L516 HydrophobicContact CG-CD2 3.97Å; K492-E519 IonicContact NZ-OE1 3.85Å |
| 493 | F | 84.5 | Confident | 74 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 175.5 | 178.5 | -95.5 | 0 | 0 | 0 | 112.5 | I489 L490 Q491 K495 T496 L497 V513 L516 L517 A529 Y532 L533 | I489-F493 WeakPolarHBondContact O-CB 3.36Å; I489-F493 PolarHBondContact O-N 2.88Å; L490-F493 WeakPolarHBondContact O-CB 3.25Å; L490-F493 PolarHBondContact O-N 3.25Å; Q491-F493 VanDerWaalsContact C-N 3.33Å; F493-K495 PolarHBondContact O-N 3.07Å; F493-T496 PolarHBondContact O-N 3.42Å; F493-L497 HydrophobicContact CD1-CD1 4.46Å; F493-L497 HydrophobicContact CE1-CD1 3.63Å; F493-L497 HydrophobicContact CE2-CD1 4.48Å; F493-L497 HydrophobicContact CZ-CD1 3.65Å; F493-L497 WeakPolarHBondContact O-CB 3.4Å; F493-L497 PolarHBondContact O-N 3.15Å; F493-V513 HydrophobicContact CD2-CG1 4.23Å; F493-V513 HydrophobicContact CE2-CG1 3.51Å; F493-V513 HydrophobicContact CZ-CG1 4.16Å; F493-L516 HydrophobicContact CB-CD1 4.37Å; F493-L516 HydrophobicContact CD2-CB 4.15Å; F493-L517 HydrophobicContact CD2-CD2 4.14Å; F493-L517 HydrophobicContact CD2-CG 4.36Å; F493-L517 HydrophobicContact CE2-CD1 4.34Å; F493-L517 HydrophobicContact CE2-CD2 3.52Å; F493-L517 HydrophobicContact CE2-CG 3.73Å; F493-L517 HydrophobicContact CZ-CD2 3.98Å; F493-A529 HydrophobicContact CD1-CB 3.91Å; F493-A529 HydrophobicContact CE1-CB 3.85Å; F493-A529 VanDerWaalsContact CE1-O 3.25Å; F493-A529 WeakPolarHBondContact CE1-O 3.45Å; F493-A529 HydrophobicContact CG-CB 4.32Å; F493-A529 HydrophobicContact CZ-CB 4.17Å; F493-Y532 HydrophobicContact CE1-CD1 4.29Å; F493-L533 HydrophobicContact CZ-CB 4.17Å |
| 494 | Y | 79.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 28% | 0.275 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.9 | -64.3 | -15.6 | 0 | 0 | 0 | 112.8 | L490 Q491 K492 T496 L497 E498 Y532 | L490-Y494 HydrophobicContact CD1-CD1 4.45Å; L490-Y494 HydrophobicContact CD1-CE1 3.62Å; L490-Y494 HydrophobicContact CD2-CE2 4.1Å; L490-Y494 WeakPolarHBondContact CD2-OH 3.25Å; L490-Y494 HydrophobicContact CG-CE1 3.88Å; L490-Y494 HydrophobicContact CG-CE2 3.94Å; L490-Y494 PolarHBondContact O-N 2.86Å; Q491-Y494 PolarHBondContact O-N 3.45Å; K492-Y494 PolarHBondContact O-N 3.17Å; Y494-T496 PolarHBondContact O-N 2.81Å; Y494-L497 PolarHBondContact O-N 2.77Å; Y494-E498 PolarHBondContact O-N 3.2Å; Y494-Y532 AromaticContact CD1-CD1 3.27Å; Y494-Y532 HydrophobicContact CD1-CD1 3.27Å; Y494-Y532 HydrophobicContact CD1-CD2 4.12Å; Y494-Y532 AromaticContact CD1-CE1 3.46Å; Y494-Y532 HydrophobicContact CD1-CE1 3.46Å; Y494-Y532 VanDerWaalsContact CD1-CE1 3.46Å; Y494-Y532 HydrophobicContact CD1-CE2 4.29Å; Y494-Y532 AromaticContact CD1-CG 3.62Å; Y494-Y532 HydrophobicContact CD1-CG 3.62Å; Y494-Y532 AromaticContact CD1-CZ 3.97Å; Y494-Y532 VanDerWaalsContact CE1-CB 3.46Å; Y494-Y532 AromaticContact CE1-CD1 3.4Å; Y494-Y532 HydrophobicContact CE1-CD1 3.4Å; Y494-Y532 VanDerWaalsContact CE1-CD1 3.4Å; Y494-Y532 AromaticContact CE1-CD2 3.71Å; Y494-Y532 HydrophobicContact CE1-CD2 3.71Å; Y494-Y532 HydrophobicContact CE1-CE1 4Å; Y494-Y532 HydrophobicContact CE1-CE2 4.28Å; Y494-Y532 AromaticContact CE1-CG 3.22Å; Y494-Y532 HydrophobicContact CE1-CG 3.22Å; Y494-Y532 HydrophobicContact CG-CD1 4.25Å; Y494-Y532 HydrophobicContact CG-CE1 4.02Å; Y494-Y532 AromaticContact CZ-CD2 3.95Å; Y494-Y532 AromaticContact CZ-CG 3.9Å |
| 495 | K | 79.4 | Confident | 72 | Confident | 134 Ų | 134 | 73.6 Ų | 73.6 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 178.4 | -71.3 | -178.8 | 179.1 | -178.3 | 0 | 112.8 | Q491 K492 F493 L497 Q499 | Q491-K495 PolarHBondContact O-N 3Å; K492-K495 PolarHBondContact O-N 3.49Å; F493-K495 PolarHBondContact O-N 3.07Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-Q499 VanDerWaalsContact O-CG 3.26Å; K495-Q499 WeakPolarHBondContact O-CG 3.2Å; K495-Q499 PolarHBondContact O-N 3Å; K495-Q499 VanDerWaalsContact O-N 3.09Å |
| 496 | T | 81.3 | Confident | 70.8 | Confident | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | K492 F493 Y494 Q499 C500 L508 D512 V513 L516 | K492-T496 PolarHBondContact O-N 2.8Å; K492-T496 PolarHBondContact O-OG1 3.05Å; K492-T496 VanDerWaalsContact O-OG1 3.09Å; F493-T496 PolarHBondContact O-N 3.42Å; Y494-T496 PolarHBondContact O-N 2.81Å; T496-Q499 WeakPolarHBondContact O-CB 3.41Å; T496-Q499 PolarHBondContact O-N 2.85Å; T496-C500 PolarHBondContact O-N 2.81Å; T496-L508 HydrophobicContact CG2-CD2 3.99Å; T496-D512 HydrophobicContact CG2-CB 4.29Å; T496-V513 HydrophobicContact CG2-CG2 3.97Å; T496-L516 HydrophobicContact CG2-CD1 4.29Å |
| 497 | L | 77.4 | Confident | 69.3 | Low | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 178.8 | -161 | 154.9 | 0 | 0 | 0 | 111.9 | F493 Y494 K495 Q499 C500 S501 Y532 L533 Y536 L539 | F493-L497 HydrophobicContact CD1-CD1 4.46Å; F493-L497 HydrophobicContact CE1-CD1 3.63Å; F493-L497 HydrophobicContact CE2-CD1 4.48Å; F493-L497 HydrophobicContact CZ-CD1 3.65Å; F493-L497 WeakPolarHBondContact O-CB 3.4Å; F493-L497 PolarHBondContact O-N 3.15Å; Y494-L497 PolarHBondContact O-N 2.77Å; K495-L497 VanDerWaalsContact C-N 3.33Å; L497-Q499 VanDerWaalsContact C-N 3.34Å; L497-Q499 PolarHBondContact O-N 3.2Å; L497-C500 WeakPolarHBondContact O-CB 3.3Å; L497-C500 PolarHBondContact O-N 2.88Å; L497-S501 PolarHBondContact O-N 3.4Å; L497-S501 VanDerWaalsContact O-N 3.09Å; L497-Y532 HydrophobicContact CD1-CD1 4.13Å; L497-Y532 HydrophobicContact CD1-CE1 4.39Å; L497-Y532 HydrophobicContact CD2-CE1 4.23Å; L497-L533 HydrophobicContact CD1-CB 4.18Å; L497-L533 HydrophobicContact CD1-CD1 3.67Å; L497-L533 HydrophobicContact CG-CD1 4.47Å; L497-Y536 HydrophobicContact CD2-CD1 3.89Å; L497-Y536 HydrophobicContact CD2-CD2 3.4Å; L497-Y536 VanDerWaalsContact CD2-CD2 3.4Å; L497-Y536 HydrophobicContact CD2-CE1 4.18Å; L497-Y536 HydrophobicContact CD2-CE2 3.72Å; L497-Y536 HydrophobicContact CD2-CG 3.48Å; L497-Y536 VanDerWaalsContact CD2-CG 3.48Å; L497-L539 HydrophobicContact CD2-CD1 3.58Å; L497-L539 HydrophobicContact CG-CD1 4.19Å |
| 498 | E | 73.9 | Confident | 68.3 | Low | 102 Ų | 102 | 78.4 Ų | 78.4 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 171.2 | -171.7 | -177.4 | 179.6 | 0 | 0 | 111.6 | Y494 C500 S501 N502 | Y494-E498 PolarHBondContact O-N 3.2Å; E498-C500 PolarHBondContact O-N 2.72Å; E498-S501 PolarHBondContact O-N 3.25Å; E498-S501 PolarHBondContact O-OG 3.49Å; E498-N502 PolarHBondContact O-N 2.85Å; E498-N502 PolarHBondContact O-ND2 3.05Å |
| 499 | Q | 72.7 | Confident | 67.6 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 175.3 | -71.6 | 169.5 | 2.5 | 0 | 0 | 112.9 | K495 T496 L497 S501 L508 | K495-Q499 VanDerWaalsContact O-CG 3.26Å; K495-Q499 WeakPolarHBondContact O-CG 3.2Å; K495-Q499 PolarHBondContact O-N 3Å; K495-Q499 VanDerWaalsContact O-N 3.09Å; T496-Q499 WeakPolarHBondContact O-CB 3.41Å; T496-Q499 PolarHBondContact O-N 2.85Å; L497-Q499 VanDerWaalsContact C-N 3.34Å; L497-Q499 PolarHBondContact O-N 3.2Å; Q499-S501 VanDerWaalsContact C-N 3.31Å; Q499-S501 PolarHBondContact O-N 2.86Å; Q499-L508 HydrophobicContact CB-CD2 4.04Å |
| 500 | C | 68.6 | Low | 67 | Low | 14 Ų | 14 | 79.2 Ų | 79.2 | 10% | 0.095 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 173.4 | -86.4 | 0 | 0 | 0 | 0 | 112.5 | T496 L497 E498 L508 | T496-C500 PolarHBondContact O-N 2.81Å; L497-C500 WeakPolarHBondContact O-CB 3.3Å; L497-C500 PolarHBondContact O-N 2.88Å; E498-C500 PolarHBondContact O-N 2.72Å; C500-L508 VanDerWaalsContact SG-CD2 3.55Å |
| 501 | S | 65.8 | Low | 66.9 | Low | 21 Ų | 21 | 81 Ų | 81 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.4 | -36 | -177.3 | 72 | 0 | 0 | 0 | 0 | 113.6 | L497 E498 Q499 N503 Y536 | L497-S501 PolarHBondContact O-N 3.4Å; L497-S501 VanDerWaalsContact O-N 3.09Å; E498-S501 PolarHBondContact O-N 3.25Å; E498-S501 PolarHBondContact O-OG 3.49Å; Q499-S501 VanDerWaalsContact C-N 3.31Å; Q499-S501 PolarHBondContact O-N 2.86Å; S501-N503 PolarHBondContact O-N 2.85Å; S501-N503 VanDerWaalsContact O-N 3.14Å; S501-Y536 VanDerWaalsContact CB-CE1 3.41Å; S501-Y536 PolarHBondContact OG-OH 3.49Å |
| 502 | N | 62.9 | Low | 67.1 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 5.6 | -171.4 | -76.7 | -36.7 | 0 | 0 | 0 | 115.5 | E498 L504 | E498-N502 PolarHBondContact O-N 2.85Å; E498-N502 PolarHBondContact O-ND2 3.05Å; N502-L504 VanDerWaalsContact C-N 3.32Å; N502-L504 PolarHBondContact O-N 3.43Å |
| 503 | N | 54.1 | Low | 67 | Low | 121 Ų | 121 | 75 Ų | 75 | 65% | 0.647 | 39% | 0.394 | S | S | * | . | trans | 25 | 50.2 | 162.3 | -90.6 | -22.5 | 0 | 0 | 0 | 119.3 | S501 | S501-N503 PolarHBondContact O-N 2.85Å; S501-N503 VanDerWaalsContact O-N 3.14Å | ||
| 504 | L | 47.7 | Very low | 67 | Low | 169 Ų | 169 | 75 Ų | 75 | 89% | 0.885 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -110.4 | -5.3 | 164.2 | -90.3 | 161.7 | 0 | 0 | 0 | 113.4 | N502 | N502-L504 VanDerWaalsContact C-N 3.32Å; N502-L504 PolarHBondContact O-N 3.43Å |
| 505 | I | 41.9 | Very low | 67.1 | Low | 140 Ų | 140 | 75.8 Ų | 75.8 | 72% | 0.718 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -128.5 | 100.8 | 179.8 | -51.7 | 175.4 | 0 | 0 | 0 | 107.8 | N507 | I505-N507 PolarHBondContact O-N 2.92Š|
| 506 | S | 48.1 | Very low | 67.4 | Low | 113 Ų | 113 | 69.7 Ų | 69.7 | 79% | 0.79 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 12.7 | -169.7 | 60.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 507 | N | 46.5 | Very low | 67.6 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 59% | 0.594 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 8.4 | -168.9 | -69.8 | 4.8 | 0 | 0 | 0 | 115.4 | I505 H509 | I505-N507 PolarHBondContact O-N 2.92Å; N507-H509 PolarHBondContact O-N 2.94Å |
| 508 | L | 50.3 | Low | 68 | Low | 69 Ų | 69 | 71.2 Ų | 71.2 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | trans | -78.1 | 101.8 | 165.2 | -131.6 | 84.3 | 0 | 0 | 0 | 108.1 | T496 Q499 C500 | T496-L508 HydrophobicContact CG2-CD2 3.99Å; Q499-L508 HydrophobicContact CB-CD2 4.04Å; C500-L508 VanDerWaalsContact SG-CD2 3.55Å | ||
| 509 | H | 63.2 | Low | 68.5 | Low | 125 Ų | 125 | 70.5 Ų | 70.5 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | trans | -77 | 146.2 | -178.8 | -75.2 | -77.6 | 0 | 0 | 0 | 110 | N507 S511 D512 | N507-H509 PolarHBondContact O-N 2.94Å; H509-S511 WeakPolarHBondContact CB-OG 3.07Å; H509-S511 PolarHBondContact O-N 3.36Å; H509-D512 PolarHBondContact O-N 2.85Å | ||
| 510 | C | 70.1 | Confident | 69 | Low | 27 Ų | 27 | 65 Ų | 65 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -49.5 | -18.7 | 170.9 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | D512 T514 I547 L550 | C510-D512 VanDerWaalsContact C-N 3.34Å; C510-D512 PolarHBondContact O-N 2.81Å; C510-T514 PolarHBondContact O-N 3.24Å; C510-T514 PolarHBondContact O-OG1 3.33Å; C510-I547 HydrophobicContact CB-CG1 3.85Å; C510-L550 HydrophobicContact CB-CD1 3.9Å |
| 511 | S | 76.1 | Confident | 69.3 | Low | 45 Ų | 45 | 71.6 Ų | 71.6 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.4 | -42.4 | 172.2 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | H509 V513 T514 D515 | H509-S511 WeakPolarHBondContact CB-OG 3.07Å; H509-S511 PolarHBondContact O-N 3.36Å; S511-V513 PolarHBondContact O-N 3.05Å; S511-T514 CarbonylContact O-C 3.52Å; S511-T514 WeakPolarHBondContact O-CA 3.47Å; S511-T514 WeakPolarHBondContact O-CB 3.32Å; S511-T514 PolarHBondContact O-N 2.81Å; S511-D515 PolarHBondContact O-N 2.72Å |
| 512 | D | 80.6 | Confident | 69.7 | Low | 64 Ų | 64 | 72.6 Ų | 72.6 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | -171.4 | -61 | -15.1 | 0 | 0 | 0 | 111.5 | T496 H509 C510 T514 D515 L516 | T496-D512 HydrophobicContact CG2-CB 4.29Å; H509-D512 PolarHBondContact O-N 2.85Å; C510-D512 VanDerWaalsContact C-N 3.34Å; C510-D512 PolarHBondContact O-N 2.81Å; D512-T514 VanDerWaalsContact C-N 3.29Å; D512-D515 PolarHBondContact O-N 3.06Å; D512-L516 PolarHBondContact O-N 2.73Å |
| 513 | V | 82.7 | Confident | 70.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 172.4 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | F493 T496 S511 L516 L517 I547 | F493-V513 HydrophobicContact CD2-CG1 4.23Å; F493-V513 HydrophobicContact CE2-CG1 3.51Å; F493-V513 HydrophobicContact CZ-CG1 4.16Å; T496-V513 HydrophobicContact CG2-CG2 3.97Å; S511-V513 PolarHBondContact O-N 3.05Å; V513-L516 PolarHBondContact O-N 3.41Å; V513-L517 PolarHBondContact O-N 2.77Å; V513-I547 HydrophobicContact CG1-CD1 4.31Å; V513-I547 HydrophobicContact CG1-CG2 4.19Å |
| 514 | T | 83.7 | Confident | 71 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | -179.8 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | C510 S511 D512 L516 L517 V518 L550 Y551 L554 | C510-T514 PolarHBondContact O-N 3.24Å; C510-T514 PolarHBondContact O-OG1 3.33Å; S511-T514 CarbonylContact O-C 3.52Å; S511-T514 WeakPolarHBondContact O-CA 3.47Å; S511-T514 WeakPolarHBondContact O-CB 3.32Å; S511-T514 PolarHBondContact O-N 2.81Å; D512-T514 VanDerWaalsContact C-N 3.29Å; T514-L516 VanDerWaalsContact C-N 3.32Å; T514-L516 PolarHBondContact O-N 3.36Å; T514-L517 WeakPolarHBondContact O-CB 3.28Å; T514-L517 PolarHBondContact O-N 2.66Å; T514-V518 PolarHBondContact O-N 2.63Å; T514-L550 HydrophobicContact CG2-CB 4.03Å; T514-Y551 VanDerWaalsContact CG2-CA 3.44Å; T514-Y551 HydrophobicContact CG2-CD2 4.46Å; T514-Y551 VanDerWaalsContact CG2-N 3.33Å; T514-L554 HydrophobicContact CG2-CD1 3.62Å |
| 515 | D | 83.3 | Confident | 72.1 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 178.9 | -71.4 | -21 | 0 | 0 | 0 | 111.5 | S511 D512 L517 V518 | S511-D515 PolarHBondContact O-N 2.72Å; D512-D515 PolarHBondContact O-N 3.06Å; D515-L517 VanDerWaalsContact C-N 3.34Å; D515-L517 PolarHBondContact O-N 3.1Å; D515-V518 PolarHBondContact O-N 3.37Å |
| 516 | L | 85.5 | Confident | 74 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 174.3 | -66.3 | 176.3 | 0 | 0 | 0 | 112.9 | K492 F493 T496 D512 V513 T514 V518 E519 | K492-L516 HydrophobicContact CD-CD2 3.57Å; K492-L516 HydrophobicContact CG-CD1 4.14Å; K492-L516 HydrophobicContact CG-CD2 3.97Å; F493-L516 HydrophobicContact CB-CD1 4.37Å; F493-L516 HydrophobicContact CD2-CB 4.15Å; T496-L516 HydrophobicContact CG2-CD1 4.29Å; D512-L516 PolarHBondContact O-N 2.73Å; V513-L516 PolarHBondContact O-N 3.41Å; T514-L516 VanDerWaalsContact C-N 3.32Å; T514-L516 PolarHBondContact O-N 3.36Å; L516-V518 PolarHBondContact O-N 3.25Å; L516-E519 PolarHBondContact O-N 3.35Å |
| 517 | L | 85.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -28.9 | 176 | -71.8 | 173.8 | 0 | 0 | 0 | 112.3 | F493 V513 T514 D515 E519 F520 F526 A529 I530 I547 Y551 | F493-L517 HydrophobicContact CD2-CD2 4.14Å; F493-L517 HydrophobicContact CD2-CG 4.36Å; F493-L517 HydrophobicContact CE2-CD1 4.34Å; F493-L517 HydrophobicContact CE2-CD2 3.52Å; F493-L517 HydrophobicContact CE2-CG 3.73Å; F493-L517 HydrophobicContact CZ-CD2 3.98Å; V513-L517 PolarHBondContact O-N 2.77Å; T514-L517 WeakPolarHBondContact O-CB 3.28Å; T514-L517 PolarHBondContact O-N 2.66Å; D515-L517 VanDerWaalsContact C-N 3.34Å; D515-L517 PolarHBondContact O-N 3.1Å; L517-E519 VanDerWaalsContact C-N 3.33Å; L517-F520 HydrophobicContact CD2-CE2 4.43Å; L517-F526 HydrophobicContact CB-CE2 4.17Å; L517-F526 HydrophobicContact CD2-CD2 4.43Å; L517-F526 HydrophobicContact CD2-CE2 4.18Å; L517-A529 HydrophobicContact CD2-CB 3.92Å; L517-I530 HydrophobicContact CD1-CD1 4.21Å; L517-I530 HydrophobicContact CD2-CD1 4.12Å; L517-I547 HydrophobicContact CD1-CG2 4.04Å; L517-Y551 HydrophobicContact CB-CD2 3.84Å; L517-Y551 HydrophobicContact CB-CE2 4.04Å |
| 518 | V | 85.1 | Confident | 76.3 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.4 | -21.4 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | T514 D515 L516 F520 Y551 I555 | T514-V518 PolarHBondContact O-N 2.63Å; D515-V518 PolarHBondContact O-N 3.37Å; L516-V518 PolarHBondContact O-N 3.25Å; V518-F520 VanDerWaalsContact C-N 3.33Å; V518-F520 PolarHBondContact O-N 2.94Å; V518-Y551 HydrophobicContact CG2-CD2 4Å; V518-Y551 HydrophobicContact CG2-CE2 3.92Å; V518-I555 HydrophobicContact CG1-CD1 4.39Å; V518-I555 HydrophobicContact CG2-CD1 4.29Å |
| 519 | E | 85.1 | Confident | 77.7 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -20.2 | -178.3 | -66.2 | -175.3 | -174.4 | 0 | 0 | 113.7 | I489 K492 L516 L517 | I489-E519 HydrophobicContact CD1-CB 3.91Å; I489-E519 HydrophobicContact CG1-CB 4.4Å; I489-E519 HydrophobicContact CG2-CB 3.93Å; K492-E519 IonicContact NZ-OE1 3.85Å; L516-E519 PolarHBondContact O-N 3.35Å; L517-E519 VanDerWaalsContact C-N 3.33Å |
| 520 | F | 82.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | trans | -68.7 | 129.6 | 179.9 | -69.1 | -73.2 | 0 | 0 | 0 | 112.3 | E486 I489 L490 L517 V518 W525 F526 A529 | E486-F520 HydrophobicContact CB-CD1 4.42Å; I489-F520 HydrophobicContact CB-CD1 4.4Å; I489-F520 HydrophobicContact CB-CE1 3.93Å; I489-F520 HydrophobicContact CB-CZ 4.19Å; I489-F520 HydrophobicContact CG2-CD1 4.11Å; I489-F520 HydrophobicContact CG2-CD2 4.23Å; I489-F520 HydrophobicContact CG2-CE1 3.73Å; I489-F520 HydrophobicContact CG2-CE2 3.85Å; I489-F520 HydrophobicContact CG2-CG 4.36Å; I489-F520 HydrophobicContact CG2-CZ 3.59Å; L490-F520 HydrophobicContact CB-CE1 4.2Å; L490-F520 HydrophobicContact CB-CZ 4.16Å; L490-F520 HydrophobicContact CD1-CZ 4.07Å; L517-F520 HydrophobicContact CD2-CE2 4.43Å; V518-F520 VanDerWaalsContact C-N 3.33Å; V518-F520 PolarHBondContact O-N 2.94Å; F520-W525 HydrophobicContact CD1-CB 3.6Å; F520-W525 HydrophobicContact CE1-CB 3.85Å; F520-F526 HydrophobicContact CB-CB 4.08Å; F520-F526 HydrophobicContact CB-CD2 4.49Å; F520-F526 HydrophobicContact CD2-CD2 4.34Å; F520-F526 HydrophobicContact CG-CB 4.39Å; F520-A529 HydrophobicContact CE2-CB 3.64Å; F520-A529 HydrophobicContact CZ-CB 3.84Å | ||
| 521 | R | 75.4 | Confident | 78.7 | Confident | 154 Ų | 154 | 41.1 Ų | 41.1 | 58% | 0.581 | 20% | 0.203 | S | C | * | . | trans | -97.7 | -24.6 | -177.9 | -63.6 | -177.7 | 179.6 | 177.9 | 1.4 | 113 | E486 | E486-R521 WeakPolarHBondContact OE1-CA 3.22Å; E486-R521 PolarHBondContact OE1-N 2.76Å | ||
| 522 | T | 74.8 | Confident | 78.6 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -113.6 | 147.2 | 177.4 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | V482 E486 Q524 W525 F526 | V482-T522 HydrophobicContact CG1-CG2 4.36Å; E486-T522 PolarHBondContact OE1-N 2.85Å; E486-T522 PolarHBondContact OE1-OG1 2.88Å; E486-T522 WeakPolarHBondContact OE2-CB 3.31Å; E486-T522 WeakPolarHBondContact OE2-CG2 3.42Å; E486-T522 PolarHBondContact OE2-OG1 2.75Å; T522-Q524 VanDerWaalsContact C-N 3.3Å; T522-Q524 PolarHBondContact O-N 2.71Å; T522-W525 VanDerWaalsContact OG1-CD1 3.29Å; T522-F526 PolarHBondContact O-N 2.93Å |
| 523 | T | 74.3 | Confident | 78.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -31.2 | -178.8 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | F526 Q527 I568 I572 | T523-F526 PolarHBondContact O-N 3.47Å; T523-Q527 HydrophobicContact CG2-CG 4.32Å; T523-Q527 WeakPolarHBondContact O-CB 3.4Å; T523-Q527 VanDerWaalsContact O-CG 3.31Å; T523-Q527 WeakPolarHBondContact O-CG 3.45Å; T523-Q527 PolarHBondContact O-N 2.78Å; T523-I568 HydrophobicContact CG2-CG2 3.56Å; T523-I572 HydrophobicContact CG2-CD1 4.03Å |
| 524 | Q | 68.5 | Low | 78.2 | Confident | 109 Ų | 109 | 39.5 Ų | 39.5 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.4 | -48.2 | -176.1 | -69.9 | 177.8 | -18.4 | 0 | 0 | 111.8 | T522 Q527 R528 | T522-Q524 VanDerWaalsContact C-N 3.3Å; T522-Q524 PolarHBondContact O-N 2.71Å; Q524-Q527 PolarHBondContact O-N 2.84Å; Q524-R528 WeakPolarHBondContact O-CG 3.32Å; Q524-R528 PolarHBondContact O-N 2.89Å; Q524-R528 VanDerWaalsContact O-N 3.1Å |
| 525 | W | 72.5 | Confident | 77.5 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 178.3 | -73.6 | 101.1 | 0 | 0 | 0 | 112.1 | N468 D483 E486 Y487 L490 F520 T522 R528 A529 | N468-W525 WeakPolarHBondContact ND2-CH2 3.17Å; N468-W525 VanDerWaalsContact ND2-CZ2 3.31Å; N468-W525 WeakPolarHBondContact ND2-CZ2 3.38Å; D483-W525 HydrophobicContact CB-CZ2 4.29Å; D483-W525 WeakPolarHBondContact O-CZ2 3.43Å; D483-W525 PolarHBondContact OD1-NE1 2.72Å; E486-W525 HydrophobicContact CB-CB 3.92Å; E486-W525 HydrophobicContact CB-CD2 3.85Å; E486-W525 HydrophobicContact CB-CG 3.49Å; E486-W525 VanDerWaalsContact CB-CG 3.49Å; E486-W525 HydrophobicContact CG-CG 4.42Å; Y487-W525 AromaticContact CD2-CH2 3.62Å; Y487-W525 HydrophobicContact CD2-CH2 3.62Å; Y487-W525 AromaticContact CD2-CZ3 3.77Å; Y487-W525 HydrophobicContact CD2-CZ3 3.77Å; Y487-W525 HydrophobicContact CG-CH2 4.03Å; Y487-W525 HydrophobicContact CG-CZ3 4.37Å; L490-W525 HydrophobicContact CB-CE3 4.2Å; L490-W525 HydrophobicContact CB-CZ3 4.34Å; L490-W525 HydrophobicContact CD2-CE3 3.75Å; L490-W525 HydrophobicContact CD2-CZ3 3.57Å; F520-W525 HydrophobicContact CD1-CB 3.6Å; F520-W525 HydrophobicContact CE1-CB 3.85Å; T522-W525 VanDerWaalsContact OG1-CD1 3.29Å; W525-R528 PolarHBondContact O-N 3Å; W525-A529 PolarHBondContact O-N 2.62Å; W525-A529 VanDerWaalsContact O-N 3.07Å |
| 526 | F | 81.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 170.9 | 179.8 | -94.3 | 0 | 0 | 0 | 112.3 | L517 F520 T522 T523 R528 A529 I530 Y551 N569 I572 | L517-F526 HydrophobicContact CB-CE2 4.17Å; L517-F526 HydrophobicContact CD2-CD2 4.43Å; L517-F526 HydrophobicContact CD2-CE2 4.18Å; F520-F526 HydrophobicContact CB-CB 4.08Å; F520-F526 HydrophobicContact CB-CD2 4.49Å; F520-F526 HydrophobicContact CD2-CD2 4.34Å; F520-F526 HydrophobicContact CG-CB 4.39Å; T522-F526 PolarHBondContact O-N 2.93Å; T523-F526 PolarHBondContact O-N 3.47Å; F526-R528 VanDerWaalsContact C-N 3.32Å; F526-R528 PolarHBondContact O-N 2.9Å; F526-A529 WeakPolarHBondContact O-CB 3.45Å; F526-A529 PolarHBondContact O-N 2.87Å; F526-I530 HydrophobicContact CD1-CG1 4.04Å; F526-I530 HydrophobicContact CE1-CD1 4.25Å; F526-I530 HydrophobicContact CE1-CG1 3.57Å; F526-I530 HydrophobicContact CE2-CD1 4.45Å; F526-I530 HydrophobicContact CE2-CG1 4.33Å; F526-I530 HydrophobicContact CZ-CD1 3.92Å; F526-I530 HydrophobicContact CZ-CG1 3.74Å; F526-I530 WeakPolarHBondContact O-CG1 3.49Å; F526-I530 PolarHBondContact O-N 3.32Å; F526-Y551 HydrophobicContact CE2-CE1 4.04Å; F526-Y551 AromaticContact CE2-CE2 3.79Å; F526-Y551 HydrophobicContact CE2-CE2 3.79Å; F526-Y551 AromaticContact CE2-CZ 3.52Å; F526-Y551 HydrophobicContact CZ-CD1 4.41Å; F526-Y551 AromaticContact CZ-CE1 3.77Å; F526-Y551 HydrophobicContact CZ-CE1 3.77Å; F526-Y551 HydrophobicContact CZ-CE2 4.35Å; F526-Y551 AromaticContact CZ-CZ 3.74Å; F526-N569 HydrophobicContact CD1-CB 3.82Å; F526-N569 WeakPolarHBondContact CD1-OD1 3.33Å; F526-N569 HydrophobicContact CD2-CB 4.39Å; F526-N569 HydrophobicContact CE1-CB 3.56Å; F526-N569 HydrophobicContact CE2-CB 4.15Å; F526-N569 HydrophobicContact CG-CB 4.23Å; F526-N569 WeakPolarHBondContact CG-ND2 3.5Å; F526-N569 HydrophobicContact CZ-CB 3.74Å; F526-I572 HydrophobicContact CD1-CD1 4.4Å; F526-I572 HydrophobicContact CE1-CB 4.42Å; F526-I572 HydrophobicContact CE1-CD1 4.49Å; F526-I572 HydrophobicContact CE1-CG2 4.42Å |
| 527 | Q | 72.5 | Confident | 76.2 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 176.4 | -79.4 | 176.6 | -6.9 | 0 | 0 | 112.5 | T523 Q524 I530 N531 I572 | T523-Q527 HydrophobicContact CG2-CG 4.32Å; T523-Q527 WeakPolarHBondContact O-CB 3.4Å; T523-Q527 VanDerWaalsContact O-CG 3.31Å; T523-Q527 WeakPolarHBondContact O-CG 3.45Å; T523-Q527 PolarHBondContact O-N 2.78Å; Q524-Q527 PolarHBondContact O-N 2.84Å; Q527-I530 PolarHBondContact O-N 3.46Å; Q527-N531 WeakPolarHBondContact O-CB 3.46Å; Q527-N531 PolarHBondContact O-N 3.01Å; Q527-N531 PolarHBondContact O-ND2 3.13Å; Q527-I572 HydrophobicContact CG-CD1 3.76Å |
| 528 | R | 69.5 | Low | 75.4 | Confident | 67 Ų | 67 | 49 Ų | 49 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.9 | -69.5 | 177.1 | 179 | -156.5 | 0.8 | 111.6 | E377 N468 L490 Q524 W525 F526 Y532 | E377-R528 IonicContact OE1-CZ 3.66Å; E377-R528 IonicContact OE1-NH2 3.69Å; E377-R528 PolarHBondContact OE1-NH2 3.49Å; N468-R528 PolarHBondContact ND2-NH1 2.87Å; N468-R528 PolarHBondContact OD1-NH1 2.83Å; N468-R528 VanDerWaalsContact OD1-NH1 3.12Å; N468-R528 PolarHBondContact OD1-NH2 3.33Å; L490-R528 HydrophobicContact CD1-CB 4.39Å; L490-R528 HydrophobicContact CD2-CB 4.36Å; Q524-R528 WeakPolarHBondContact O-CG 3.32Å; Q524-R528 PolarHBondContact O-N 2.89Å; Q524-R528 VanDerWaalsContact O-N 3.1Å; W525-R528 PolarHBondContact O-N 3Å; F526-R528 VanDerWaalsContact C-N 3.32Å; F526-R528 PolarHBondContact O-N 2.9Å; R528-Y532 WeakPolarHBondContact O-CB 3.32Å; R528-Y532 PolarHBondContact O-N 3.01Å |
| 529 | A | 80.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L490 F493 L517 F520 W525 F526 Y532 L533 | L490-A529 HydrophobicContact CD1-CB 3.73Å; F493-A529 HydrophobicContact CD1-CB 3.91Å; F493-A529 HydrophobicContact CE1-CB 3.85Å; F493-A529 VanDerWaalsContact CE1-O 3.25Å; F493-A529 WeakPolarHBondContact CE1-O 3.45Å; F493-A529 HydrophobicContact CG-CB 4.32Å; F493-A529 HydrophobicContact CZ-CB 4.17Å; L517-A529 HydrophobicContact CD2-CB 3.92Å; F520-A529 HydrophobicContact CE2-CB 3.64Å; F520-A529 HydrophobicContact CZ-CB 3.84Å; W525-A529 PolarHBondContact O-N 2.62Å; W525-A529 VanDerWaalsContact O-N 3.07Å; F526-A529 WeakPolarHBondContact O-CB 3.45Å; F526-A529 PolarHBondContact O-N 2.87Å; A529-Y532 PolarHBondContact O-N 3.4Å; A529-L533 PolarHBondContact O-N 2.83Å |
| 530 | I | 81.2 | Confident | 74.4 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 176.7 | -67.5 | -63.2 | 0 | 0 | 0 | 111.5 | L517 F526 Q527 Y532 L533 L534 I572 V576 | L517-I530 HydrophobicContact CD1-CD1 4.21Å; L517-I530 HydrophobicContact CD2-CD1 4.12Å; F526-I530 HydrophobicContact CD1-CG1 4.04Å; F526-I530 HydrophobicContact CE1-CD1 4.25Å; F526-I530 HydrophobicContact CE1-CG1 3.57Å; F526-I530 HydrophobicContact CE2-CD1 4.45Å; F526-I530 HydrophobicContact CE2-CG1 4.33Å; F526-I530 HydrophobicContact CZ-CD1 3.92Å; F526-I530 HydrophobicContact CZ-CG1 3.74Å; F526-I530 WeakPolarHBondContact O-CG1 3.49Å; F526-I530 PolarHBondContact O-N 3.32Å; Q527-I530 PolarHBondContact O-N 3.46Å; I530-Y532 PolarHBondContact O-N 3.33Å; I530-L533 HydrophobicContact CD1-CD2 4.42Å; I530-L533 WeakPolarHBondContact O-CB 3.44Å; I530-L533 PolarHBondContact O-N 3.49Å; I530-L533 VanDerWaalsContact O-N 3.14Å; I530-L534 HydrophobicContact CG2-CD1 3.77Å; I530-L534 HydrophobicContact CG2-CG 4.22Å; I530-L534 VanDerWaalsContact O-CG 3.25Å; I530-L534 WeakPolarHBondContact O-CG 3.32Å; I530-L534 PolarHBondContact O-N 2.93Å; I530-I572 HydrophobicContact CG2-CG2 4.37Å; I530-V576 HydrophobicContact CG2-CG2 4.18Å |
| 531 | N | 72.5 | Confident | 74.3 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 177.7 | -73.3 | -24 | 0 | 0 | 0 | 112.1 | Q527 S535 | Q527-N531 WeakPolarHBondContact O-CB 3.46Å; Q527-N531 PolarHBondContact O-N 3.01Å; Q527-N531 PolarHBondContact O-ND2 3.13Å; N531-S535 VanDerWaalsContact O-CB 3.23Å; N531-S535 WeakPolarHBondContact O-CB 3.19Å; N531-S535 PolarHBondContact O-N 3.06Å; N531-S535 PolarHBondContact O-OG 3.03Å |
| 532 | Y | 74.4 | Confident | 74.6 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -44.6 | 173.2 | -173.2 | -97.6 | 0 | 0 | 0 | 112.1 | F493 Y494 L497 R528 A529 I530 L534 S535 Y536 | F493-Y532 HydrophobicContact CE1-CD1 4.29Å; Y494-Y532 AromaticContact CD1-CD1 3.27Å; Y494-Y532 HydrophobicContact CD1-CD1 3.27Å; Y494-Y532 HydrophobicContact CD1-CD2 4.12Å; Y494-Y532 AromaticContact CD1-CE1 3.46Å; Y494-Y532 HydrophobicContact CD1-CE1 3.46Å; Y494-Y532 VanDerWaalsContact CD1-CE1 3.46Å; Y494-Y532 HydrophobicContact CD1-CE2 4.29Å; Y494-Y532 AromaticContact CD1-CG 3.62Å; Y494-Y532 HydrophobicContact CD1-CG 3.62Å; Y494-Y532 AromaticContact CD1-CZ 3.97Å; Y494-Y532 VanDerWaalsContact CE1-CB 3.46Å; Y494-Y532 AromaticContact CE1-CD1 3.4Å; Y494-Y532 HydrophobicContact CE1-CD1 3.4Å; Y494-Y532 VanDerWaalsContact CE1-CD1 3.4Å; Y494-Y532 AromaticContact CE1-CD2 3.71Å; Y494-Y532 HydrophobicContact CE1-CD2 3.71Å; Y494-Y532 HydrophobicContact CE1-CE1 4Å; Y494-Y532 HydrophobicContact CE1-CE2 4.28Å; Y494-Y532 AromaticContact CE1-CG 3.22Å; Y494-Y532 HydrophobicContact CE1-CG 3.22Å; Y494-Y532 HydrophobicContact CG-CD1 4.25Å; Y494-Y532 HydrophobicContact CG-CE1 4.02Å; Y494-Y532 AromaticContact CZ-CD2 3.95Å; Y494-Y532 AromaticContact CZ-CG 3.9Å; L497-Y532 HydrophobicContact CD1-CD1 4.13Å; L497-Y532 HydrophobicContact CD1-CE1 4.39Å; L497-Y532 HydrophobicContact CD2-CE1 4.23Å; R528-Y532 WeakPolarHBondContact O-CB 3.32Å; R528-Y532 PolarHBondContact O-N 3.01Å; A529-Y532 PolarHBondContact O-N 3.4Å; I530-Y532 PolarHBondContact O-N 3.33Å; Y532-L534 VanDerWaalsContact C-N 3.28Å; Y532-L534 PolarHBondContact O-N 3.4Å; Y532-S535 WeakPolarHBondContact CA-OG 3.33Å; Y532-S535 PolarHBondContact O-N 3.36Å; Y532-S535 PolarHBondContact O-OG 2.94Å; Y532-Y536 AromaticContact CE1-CD2 3.89Å; Y532-Y536 HydrophobicContact CE1-CD2 3.89Å; Y532-Y536 HydrophobicContact CE1-CE2 4.31Å; Y532-Y536 AromaticContact CZ-CD2 3.97Å; Y532-Y536 PolarHBondContact O-N 3.33Å |
| 533 | L | 80.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.2 | -45 | 174.3 | 176.1 | 69.2 | 0 | 0 | 0 | 112 | F493 L497 A529 I530 S535 L539 I547 V548 | F493-L533 HydrophobicContact CZ-CB 4.17Å; L497-L533 HydrophobicContact CD1-CB 4.18Å; L497-L533 HydrophobicContact CD1-CD1 3.67Å; L497-L533 HydrophobicContact CG-CD1 4.47Å; A529-L533 PolarHBondContact O-N 2.83Å; I530-L533 HydrophobicContact CD1-CD2 4.42Å; I530-L533 WeakPolarHBondContact O-CB 3.44Å; I530-L533 PolarHBondContact O-N 3.49Å; I530-L533 VanDerWaalsContact O-N 3.14Å; L533-S535 PolarHBondContact O-N 2.85Å; L533-L539 HydrophobicContact CD1-CD1 3.9Å; L533-I547 HydrophobicContact CD1-CD1 3.9Å; L533-I547 HydrophobicContact CD2-CG2 4.06Å; L533-V548 HydrophobicContact CD2-CG2 4.48Å |
| 534 | L | 74.5 | Confident | 75.3 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.1 | -15.2 | 179.4 | -60.5 | 172.9 | 0 | 0 | 0 | 113.3 | I530 Y532 I544 V576 Q653 L656 Y661 | I530-L534 HydrophobicContact CG2-CD1 3.77Å; I530-L534 HydrophobicContact CG2-CG 4.22Å; I530-L534 VanDerWaalsContact O-CG 3.25Å; I530-L534 WeakPolarHBondContact O-CG 3.32Å; I530-L534 PolarHBondContact O-N 2.93Å; Y532-L534 VanDerWaalsContact C-N 3.28Å; Y532-L534 PolarHBondContact O-N 3.4Å; L534-I544 HydrophobicContact CD2-CG2 3.85Å; L534-V576 HydrophobicContact CD1-CG1 4.46Å; L534-V576 HydrophobicContact CD1-CG2 3.94Å; L534-V576 HydrophobicContact CD2-CG1 3.52Å; L534-V576 HydrophobicContact CD2-CG2 4.48Å; L534-Q653 PolarHBondContact O-OE1 2.82Å; L534-L656 HydrophobicContact CB-CD1 4.29Å; L534-L656 HydrophobicContact CD2-CD1 3.76Å; L534-Y661 HydrophobicContact CD1-CE2 3.52Å |
| 535 | S | 69.3 | Low | 76 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -102.1 | 3.2 | -178 | 59.6 | 0 | 0 | 0 | 0 | 115 | N531 Y532 L533 Q653 | N531-S535 VanDerWaalsContact O-CB 3.23Å; N531-S535 WeakPolarHBondContact O-CB 3.19Å; N531-S535 PolarHBondContact O-N 3.06Å; N531-S535 PolarHBondContact O-OG 3.03Å; Y532-S535 WeakPolarHBondContact CA-OG 3.33Å; Y532-S535 PolarHBondContact O-N 3.36Å; Y532-S535 PolarHBondContact O-OG 2.94Å; L533-S535 PolarHBondContact O-N 2.85Å; S535-Q653 VanDerWaalsContact O-CD 3.24Å; S535-Q653 PolarHBondContact O-NE2 3.17Å; S535-Q653 PolarHBondContact O-OE1 2.63Å |
| 536 | Y | 74 | Confident | 76.6 | Confident | 30 Ų | 30 | 45 Ų | 45 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | trans | -84.8 | 123.8 | -173.4 | -162.1 | -89.4 | 0 | 0 | 0 | 111.8 | L497 S501 Y532 D538 L539 | L497-Y536 HydrophobicContact CD2-CD1 3.89Å; L497-Y536 HydrophobicContact CD2-CD2 3.4Å; L497-Y536 VanDerWaalsContact CD2-CD2 3.4Å; L497-Y536 HydrophobicContact CD2-CE1 4.18Å; L497-Y536 HydrophobicContact CD2-CE2 3.72Å; L497-Y536 HydrophobicContact CD2-CG 3.48Å; L497-Y536 VanDerWaalsContact CD2-CG 3.48Å; S501-Y536 VanDerWaalsContact CB-CE1 3.41Å; S501-Y536 PolarHBondContact OG-OH 3.49Å; Y532-Y536 AromaticContact CE1-CD2 3.89Å; Y532-Y536 HydrophobicContact CE1-CD2 3.89Å; Y532-Y536 HydrophobicContact CE1-CE2 4.31Å; Y532-Y536 AromaticContact CZ-CD2 3.97Å; Y532-Y536 PolarHBondContact O-N 3.33Å; Y536-D538 HydrophobicContact CD1-CB 4.44Å; Y536-D538 HydrophobicContact CE1-CB 4.11Å; Y536-D538 PolarHBondContact O-N 3.28Å; Y536-L539 HydrophobicContact CD1-CB 4.44Å; Y536-L539 HydrophobicContact CD1-CD1 3.81Å; Y536-L539 HydrophobicContact CD1-CG 4.09Å; Y536-L539 HydrophobicContact CG-CD1 3.94Å | ||
| 537 | P | 66.6 | Low | 76.7 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 64% | 0.643 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.6 | -166.3 | 24.4 | -33.6 | 0 | 0 | 0 | 115.1 | ||
| 538 | D | 69.1 | Low | 77.4 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.6 | -171.5 | -58.4 | -45.2 | 0 | 0 | 0 | 114.4 | Y536 | Y536-D538 HydrophobicContact CD1-CB 4.44Å; Y536-D538 HydrophobicContact CE1-CB 4.11Å; Y536-D538 PolarHBondContact O-N 3.28Å |
| 539 | L | 72.5 | Confident | 78.2 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | trans | -88.4 | 122.5 | -177.5 | -98.5 | 156.4 | 0 | 0 | 0 | 112 | L497 L533 Y536 M543 I544 | L497-L539 HydrophobicContact CD2-CD1 3.58Å; L497-L539 HydrophobicContact CG-CD1 4.19Å; L533-L539 HydrophobicContact CD1-CD1 3.9Å; Y536-L539 HydrophobicContact CD1-CB 4.44Å; Y536-L539 HydrophobicContact CD1-CD1 3.81Å; Y536-L539 HydrophobicContact CD1-CG 4.09Å; Y536-L539 HydrophobicContact CG-CD1 3.94Å; L539-M543 HydrophobicContact CD2-CB 3.9Å; L539-M543 HydrophobicContact CD2-CE 3.98Å; L539-M543 HydrophobicContact CD2-SD 4.3Å; L539-I544 HydrophobicContact CB-CD1 4.41Å; L539-I544 HydrophobicContact CB-CG1 4.3Å | ||
| 540 | N | 77.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | trans | -65.6 | 134.4 | 174.2 | -179.8 | -23.9 | 0 | 0 | 0 | 110.4 | Q542 M543 I544 | N540-Q542 PolarHBondContact O-N 3.3Å; N540-Q542 VanDerWaalsContact O-N 3.08Å; N540-Q542 PolarHBondContact OD1-N 3.4Å; N540-M543 HydrophobicContact CB-CG 4.22Å; N540-M543 HydrophobicContact CB-SD 4.44Å; N540-M543 WeakPolarHBondContact O-CA 3.49Å; N540-M543 WeakPolarHBondContact O-CB 3.4Å; N540-M543 PolarHBondContact O-N 2.95Å; N540-I544 PolarHBondContact O-N 3.3Å | ||
| 541 | P | 79.7 | Confident | 78.7 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -42 | -42.2 | 172.3 | -31.5 | 31.7 | 0 | 0 | 0 | 115.7 | M543 I544 L545 Y583 L584 I652 | P541-M543 VanDerWaalsContact C-N 3.32Å; P541-M543 PolarHBondContact O-N 2.98Å; P541-I544 PolarHBondContact O-N 2.94Å; P541-L545 PolarHBondContact O-N 3.44Å; P541-L545 VanDerWaalsContact O-N 3.1Å; P541-Y583 HydrophobicContact CG-CE1 4.16Å; P541-L584 HydrophobicContact CB-CD1 4.5Å; P541-L584 HydrophobicContact CB-CD2 3.75Å; P541-L584 HydrophobicContact CB-CG 4.28Å; P541-L584 HydrophobicContact CG-CD2 4.42Å; P541-I652 HydrophobicContact CB-CD1 3.46Å; P541-I652 VanDerWaalsContact CB-CD1 3.46Å; P541-I652 HydrophobicContact CG-CB 4.03Å; P541-I652 HydrophobicContact CG-CD1 3.56Å; P541-I652 HydrophobicContact CG-CG1 4.38Å; P541-I652 HydrophobicContact CG-CG2 3.93Å |
| 542 | Q | 80.3 | Confident | 79.3 | Confident | 121 Ų | 121 | 42 Ų | 42 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.9 | -31.4 | 179.8 | -68.5 | -173 | -9.3 | 0 | 0 | 112.5 | N540 N546 | N540-Q542 PolarHBondContact O-N 3.3Å; N540-Q542 VanDerWaalsContact O-N 3.08Å; N540-Q542 PolarHBondContact OD1-N 3.4Å; Q542-N546 WeakPolarHBondContact O-CB 3.47Å; Q542-N546 PolarHBondContact O-N 3.4Å; Q542-N546 PolarHBondContact O-ND2 3.46Å; Q542-N546 PolarHBondContact O-OD1 3.33Å |
| 543 | M | 80.7 | Confident | 79.8 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -42.2 | 175.4 | -71.6 | -176.8 | 64.1 | 0 | 0 | 111.6 | L539 N540 P541 L545 N546 I547 | L539-M543 HydrophobicContact CD2-CB 3.9Å; L539-M543 HydrophobicContact CD2-CE 3.98Å; L539-M543 HydrophobicContact CD2-SD 4.3Å; N540-M543 HydrophobicContact CB-CG 4.22Å; N540-M543 HydrophobicContact CB-SD 4.44Å; N540-M543 WeakPolarHBondContact O-CA 3.49Å; N540-M543 WeakPolarHBondContact O-CB 3.4Å; N540-M543 PolarHBondContact O-N 2.95Å; P541-M543 VanDerWaalsContact C-N 3.32Å; P541-M543 PolarHBondContact O-N 2.98Å; M543-L545 VanDerWaalsContact C-N 3.3Å; M543-L545 PolarHBondContact O-N 3.49Å; M543-N546 PolarHBondContact O-N 2.89Å; M543-I547 WeakPolarHBondContact O-CG1 3.45Å; M543-I547 PolarHBondContact O-N 3.46Å |
| 544 | I | 83.2 | Confident | 79.9 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 175.2 | -60.3 | 175.4 | 0 | 0 | 0 | 109.4 | L534 L539 N540 P541 N546 I547 V548 V576 V580 I652 L656 | L534-I544 HydrophobicContact CD2-CG2 3.85Å; L539-I544 HydrophobicContact CB-CD1 4.41Å; L539-I544 HydrophobicContact CB-CG1 4.3Å; N540-I544 PolarHBondContact O-N 3.3Å; P541-I544 PolarHBondContact O-N 2.94Å; I544-N546 VanDerWaalsContact C-N 3.33Å; I544-N546 PolarHBondContact O-N 3.08Å; I544-I547 PolarHBondContact O-N 3.03Å; I544-V548 HydrophobicContact CG2-CG2 4.38Å; I544-V548 WeakPolarHBondContact O-CB 3.28Å; I544-V548 VanDerWaalsContact O-CG2 3.27Å; I544-V548 WeakPolarHBondContact O-CG2 3.42Å; I544-V548 PolarHBondContact O-N 2.97Å; I544-V576 HydrophobicContact CG2-CG1 4.4Å; I544-V580 HydrophobicContact CG2-CG2 4.04Å; I544-I652 HydrophobicContact CD1-CD1 4.37Å; I544-L656 HydrophobicContact CD1-CD1 4.18Å |
| 545 | L | 84.7 | Confident | 80.2 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.1 | -170.2 | 67.2 | 0 | 0 | 0 | 112.1 | P541 M543 T549 K577 V580 N581 L584 | P541-L545 PolarHBondContact O-N 3.44Å; P541-L545 VanDerWaalsContact O-N 3.1Å; M543-L545 VanDerWaalsContact C-N 3.3Å; M543-L545 PolarHBondContact O-N 3.49Å; L545-T549 HydrophobicContact CD1-CG2 4.42Å; L545-T549 HydrophobicContact CG-CG2 4.46Å; L545-T549 WeakPolarHBondContact O-CB 3.5Å; L545-T549 WeakPolarHBondContact O-CG2 3.13Å; L545-T549 PolarHBondContact O-N 3.28Å; L545-T549 PolarHBondContact O-OG1 3.49Å; L545-K577 HydrophobicContact CD1-CB 4.34Å; L545-K577 HydrophobicContact CD1-CG 3.56Å; L545-V580 HydrophobicContact CB-CG1 4.11Å; L545-V580 HydrophobicContact CD1-CB 4.48Å; L545-V580 HydrophobicContact CD1-CG1 4.37Å; L545-N581 WeakPolarHBondContact CD1-OD1 3.3Å; L545-N581 VanDerWaalsContact CD2-OD1 3.28Å; L545-N581 WeakPolarHBondContact CD2-OD1 3.43Å; L545-L584 HydrophobicContact CD2-CD1 4.46Å |
| 546 | N | 84.4 | Confident | 80.7 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 178 | -72.5 | -14.7 | 0 | 0 | 0 | 112.6 | Q542 M543 I544 T549 L550 | Q542-N546 WeakPolarHBondContact O-CB 3.47Å; Q542-N546 PolarHBondContact O-N 3.4Å; Q542-N546 PolarHBondContact O-ND2 3.46Å; Q542-N546 PolarHBondContact O-OD1 3.33Å; M543-N546 PolarHBondContact O-N 2.89Å; I544-N546 VanDerWaalsContact C-N 3.33Å; I544-N546 PolarHBondContact O-N 3.08Å; N546-T549 WeakPolarHBondContact CA-OG1 3.15Å; N546-T549 PolarHBondContact O-OG1 2.76Å; N546-L550 WeakPolarHBondContact O-CB 3.3Å; N546-L550 WeakPolarHBondContact O-CG 3.24Å; N546-L550 PolarHBondContact O-N 3.01Å |
| 547 | I | 84.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 179.1 | -68 | 163.9 | 0 | 0 | 0 | 110.5 | C510 V513 L517 L533 M543 I544 L550 Y551 | C510-I547 HydrophobicContact CB-CG1 3.85Å; V513-I547 HydrophobicContact CG1-CD1 4.31Å; V513-I547 HydrophobicContact CG1-CG2 4.19Å; L517-I547 HydrophobicContact CD1-CG2 4.04Å; L533-I547 HydrophobicContact CD1-CD1 3.9Å; L533-I547 HydrophobicContact CD2-CG2 4.06Å; M543-I547 WeakPolarHBondContact O-CG1 3.45Å; M543-I547 PolarHBondContact O-N 3.46Å; I544-I547 PolarHBondContact O-N 3.03Å; I547-L550 PolarHBondContact O-N 3.31Å; I547-Y551 PolarHBondContact O-N 3.43Å |
| 548 | V | 87.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | -177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L533 I544 Y551 I552 C573 V576 K577 | L533-V548 HydrophobicContact CD2-CG2 4.48Å; I544-V548 HydrophobicContact CG2-CG2 4.38Å; I544-V548 WeakPolarHBondContact O-CB 3.28Å; I544-V548 VanDerWaalsContact O-CG2 3.27Å; I544-V548 WeakPolarHBondContact O-CG2 3.42Å; I544-V548 PolarHBondContact O-N 2.97Å; V548-Y551 PolarHBondContact O-N 2.95Å; V548-I552 HydrophobicContact CG1-CD1 4.2Å; V548-I552 VanDerWaalsContact O-CG1 3.32Å; V548-I552 WeakPolarHBondContact O-CG1 3.01Å; V548-I552 PolarHBondContact O-N 2.88Å; V548-I552 VanDerWaalsContact O-N 3.14Å; V548-C573 HydrophobicContact CG1-CB 3.72Å; V548-C573 WeakPolarHBondContact CG1-O 3.29Å; V548-V576 HydrophobicContact CG1-CB 4.39Å; V548-V576 HydrophobicContact CG1-CG1 4.42Å; V548-V576 HydrophobicContact CG2-CG1 3.83Å; V548-K577 HydrophobicContact CG1-CB 4.03Å |
| 549 | T | 86.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 177.3 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | L545 N546 I552 Q553 K577 | L545-T549 HydrophobicContact CD1-CG2 4.42Å; L545-T549 HydrophobicContact CG-CG2 4.46Å; L545-T549 WeakPolarHBondContact O-CB 3.5Å; L545-T549 WeakPolarHBondContact O-CG2 3.13Å; L545-T549 PolarHBondContact O-N 3.28Å; L545-T549 PolarHBondContact O-OG1 3.49Å; N546-T549 WeakPolarHBondContact CA-OG1 3.15Å; N546-T549 PolarHBondContact O-OG1 2.76Å; T549-I552 PolarHBondContact O-N 3.23Å; T549-Q553 WeakPolarHBondContact O-CG 3.41Å; T549-Q553 PolarHBondContact O-N 3.45Å; T549-K577 HydrophobicContact CG2-CD 3.86Å; T549-K577 HydrophobicContact CG2-CG 4.04Å |
| 550 | L | 84.9 | Confident | 79.3 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 173.6 | -74.3 | 172 | 0 | 0 | 0 | 111.6 | C510 T514 N546 I547 I552 Q553 L554 | C510-L550 HydrophobicContact CB-CD1 3.9Å; T514-L550 HydrophobicContact CG2-CB 4.03Å; N546-L550 WeakPolarHBondContact O-CB 3.3Å; N546-L550 WeakPolarHBondContact O-CG 3.24Å; N546-L550 PolarHBondContact O-N 3.01Å; I547-L550 PolarHBondContact O-N 3.31Å; L550-I552 PolarHBondContact O-N 3.18Å; L550-Q553 PolarHBondContact O-N 2.98Å; L550-L554 WeakPolarHBondContact O-CG 3.46Å; L550-L554 PolarHBondContact O-N 3.12Å |
| 551 | Y | 86.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 176.2 | 177.4 | -99.2 | 0 | 0 | 0 | 112 | T514 L517 V518 F526 I547 V548 Q553 L554 I555 N569 V570 C573 | T514-Y551 VanDerWaalsContact CG2-CA 3.44Å; T514-Y551 HydrophobicContact CG2-CD2 4.46Å; T514-Y551 VanDerWaalsContact CG2-N 3.33Å; L517-Y551 HydrophobicContact CB-CD2 3.84Å; L517-Y551 HydrophobicContact CB-CE2 4.04Å; V518-Y551 HydrophobicContact CG2-CD2 4Å; V518-Y551 HydrophobicContact CG2-CE2 3.92Å; F526-Y551 HydrophobicContact CE2-CE1 4.04Å; F526-Y551 AromaticContact CE2-CE2 3.79Å; F526-Y551 HydrophobicContact CE2-CE2 3.79Å; F526-Y551 AromaticContact CE2-CZ 3.52Å; F526-Y551 HydrophobicContact CZ-CD1 4.41Å; F526-Y551 AromaticContact CZ-CE1 3.77Å; F526-Y551 HydrophobicContact CZ-CE1 3.77Å; F526-Y551 HydrophobicContact CZ-CE2 4.35Å; F526-Y551 AromaticContact CZ-CZ 3.74Å; I547-Y551 PolarHBondContact O-N 3.43Å; V548-Y551 PolarHBondContact O-N 2.95Å; Y551-Q553 VanDerWaalsContact C-N 3.3Å; Y551-Q553 PolarHBondContact O-N 3.25Å; Y551-L554 PolarHBondContact O-N 3.36Å; Y551-I555 HydrophobicContact CD1-CG1 4.42Å; Y551-I555 HydrophobicContact CD2-CG1 4.35Å; Y551-I555 HydrophobicContact CE1-CG1 3.97Å; Y551-I555 HydrophobicContact CE2-CD1 4.1Å; Y551-I555 HydrophobicContact CE2-CG1 3.88Å; Y551-I555 WeakPolarHBondContact O-CG1 3.22Å; Y551-I555 PolarHBondContact O-N 2.99Å; Y551-N569 HydrophobicContact CE1-CB 4.23Å; Y551-N569 WeakPolarHBondContact OH-CB 3.35Å; Y551-V570 HydrophobicContact CE1-CG2 4.24Å; Y551-C573 HydrophobicContact CD1-CB 4.02Å; Y551-C573 WeakPolarHBondContact CD1-SG 3.45Å; Y551-C573 HydrophobicContact CE1-CB 4.46Å |
| 552 | I | 84.8 | Confident | 77.2 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 178.3 | -66.1 | 165.6 | 0 | 0 | 0 | 110.5 | V548 T549 L550 Q556 V570 C573 K577 | V548-I552 HydrophobicContact CG1-CD1 4.2Å; V548-I552 VanDerWaalsContact O-CG1 3.32Å; V548-I552 WeakPolarHBondContact O-CG1 3.01Å; V548-I552 PolarHBondContact O-N 2.88Å; V548-I552 VanDerWaalsContact O-N 3.14Å; T549-I552 PolarHBondContact O-N 3.23Å; L550-I552 PolarHBondContact O-N 3.18Å; I552-Q556 HydrophobicContact CG2-CG 4.48Å; I552-Q556 WeakPolarHBondContact O-CB 3.44Å; I552-Q556 VanDerWaalsContact O-CG 3.24Å; I552-Q556 WeakPolarHBondContact O-CG 3.46Å; I552-Q556 PolarHBondContact O-N 3.23Å; I552-V570 HydrophobicContact CG2-CG1 4.35Å; I552-C573 HydrophobicContact CD1-CB 4.01Å; I552-C573 HydrophobicContact CG1-CB 3.82Å; I552-K577 HydrophobicContact CD1-CD 4.43Å |
| 553 | Q | 84.8 | Confident | 76.5 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.8 | -71.5 | 177.3 | 12.3 | 0 | 0 | 113 | T549 L550 Y551 K557 | T549-Q553 WeakPolarHBondContact O-CG 3.41Å; T549-Q553 PolarHBondContact O-N 3.45Å; L550-Q553 PolarHBondContact O-N 2.98Å; Y551-Q553 VanDerWaalsContact C-N 3.3Å; Y551-Q553 PolarHBondContact O-N 3.25Å; Q553-K557 WeakPolarHBondContact O-CG 3.3Å; Q553-K557 PolarHBondContact O-N 3.22Å; Q553-K557 VanDerWaalsContact O-N 3.15Å |
| 554 | L | 82.4 | Confident | 76.1 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 178.8 | -75.7 | 173.6 | 0 | 0 | 0 | 111.6 | T514 L550 Y551 K557 G558 | T514-L554 HydrophobicContact CG2-CD1 3.62Å; L550-L554 WeakPolarHBondContact O-CG 3.46Å; L550-L554 PolarHBondContact O-N 3.12Å; Y551-L554 PolarHBondContact O-N 3.36Å; L554-K557 PolarHBondContact O-N 2.96Å; L554-G558 PolarHBondContact O-N 3.33Å; L554-G558 VanDerWaalsContact O-N 3.16Å |
| 555 | I | 81.6 | Confident | 75.5 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.097 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.8 | -63.2 | -66.6 | 0 | 0 | 0 | 111.2 | V518 Y551 K557 G558 N566 V570 | V518-I555 HydrophobicContact CG1-CD1 4.39Å; V518-I555 HydrophobicContact CG2-CD1 4.29Å; Y551-I555 HydrophobicContact CD1-CG1 4.42Å; Y551-I555 HydrophobicContact CD2-CG1 4.35Å; Y551-I555 HydrophobicContact CE1-CG1 3.97Å; Y551-I555 HydrophobicContact CE2-CD1 4.1Å; Y551-I555 HydrophobicContact CE2-CG1 3.88Å; Y551-I555 WeakPolarHBondContact O-CG1 3.22Å; Y551-I555 PolarHBondContact O-N 2.99Å; I555-K557 VanDerWaalsContact C-N 3.28Å; I555-K557 PolarHBondContact O-N 3.4Å; I555-G558 PolarHBondContact O-N 3.29Å; I555-N566 HydrophobicContact CG2-CB 4Å; I555-V570 HydrophobicContact CB-CG2 3.74Å; I555-V570 HydrophobicContact CG1-CG2 4.15Å; I555-V570 HydrophobicContact CG2-CG2 3.45Å; I555-V570 VanDerWaalsContact CG2-CG2 3.45Å |
| 556 | Q | 80 | Confident | 75.2 | Confident | 145 Ų | 145 | 71.4 Ų | 71.4 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.9 | -29.1 | 177 | -75.7 | 177.2 | -4.9 | 0 | 0 | 113.5 | I552 | I552-Q556 HydrophobicContact CG2-CG 4.48Å; I552-Q556 WeakPolarHBondContact O-CB 3.44Å; I552-Q556 VanDerWaalsContact O-CG 3.24Å; I552-Q556 WeakPolarHBondContact O-CG 3.46Å; I552-Q556 PolarHBondContact O-N 3.23Å |
| 557 | K | 77 | Confident | 74.9 | Confident | 167 Ų | 167 | 72 Ų | 72 | 73% | 0.726 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -82.5 | -22.3 | 177 | -74.5 | 175.5 | -179 | 174.4 | 0 | 113.5 | Q553 L554 I555 | Q553-K557 WeakPolarHBondContact O-CG 3.3Å; Q553-K557 PolarHBondContact O-N 3.22Å; Q553-K557 VanDerWaalsContact O-N 3.15Å; L554-K557 PolarHBondContact O-N 2.96Å; I555-K557 VanDerWaalsContact C-N 3.28Å; I555-K557 PolarHBondContact O-N 3.4Å |
| 558 | G | 66.5 | Low | 74.4 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | trans | -88.2 | 128.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L554 I555 N560 | L554-G558 PolarHBondContact O-N 3.33Å; L554-G558 VanDerWaalsContact O-N 3.16Å; I555-G558 PolarHBondContact O-N 3.29Å; G558-N560 PolarHBondContact O-N 3.45Å | ||
| 559 | N | 55.7 | Low | 74.2 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 93% | 0.93 | 39% | 0.388 | S | S | * | . | trans | -75 | 37.9 | 172.4 | -79.1 | -14.7 | 0 | 0 | 0 | 113.3 | ||||
| 560 | N | 54.2 | Low | 74 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | trans | -75.5 | 142 | -167.7 | -77.8 | -8.7 | 0 | 0 | 0 | 113.9 | G558 N562 | G558-N560 PolarHBondContact O-N 3.45Å; N560-N562 PolarHBondContact O-N 2.89Å | ||
| 561 | T | 54 | Low | 73.5 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -72.2 | -15.5 | -170.8 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | T563 | T561-T563 PolarHBondContact O-N 2.98Š|
| 562 | N | 58.5 | Low | 73 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | trans | -93 | 59.2 | -179.5 | -81.2 | 5.1 | 0 | 0 | 0 | 112.1 | N560 Q564 N566 | N560-N562 PolarHBondContact O-N 2.89Å; N562-Q564 PolarHBondContact O-N 3.49Å; N562-N566 WeakPolarHBondContact O-CB 3.29Å; N562-N566 VanDerWaalsContact O-CG 3.29Å; N562-N566 PolarHBondContact O-N 2.92Å; N562-N566 VanDerWaalsContact O-N 3.12Å; N562-N566 PolarHBondContact O-ND2 3.49Å | ||
| 563 | T | 65.3 | Low | 72.9 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | -169.9 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | T561 N567 | T561-T563 PolarHBondContact O-N 2.98Å; T563-N567 WeakPolarHBondContact O-CB 3.4Å; T563-N567 PolarHBondContact O-N 3.3Å; T563-N567 PolarHBondContact O-ND2 3.49Å; T563-N567 PolarHBondContact O-OD1 3.01Å |
| 564 | Q | 71.3 | Confident | 72.7 | Confident | 156 Ų | 156 | 72.5 Ų | 72.5 | 73% | 0.729 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.3 | -50.2 | -178.3 | -73.3 | -177 | -18.2 | 0 | 0 | 113.2 | N562 N567 I568 | N562-Q564 PolarHBondContact O-N 3.49Å; Q564-N567 PolarHBondContact O-N 2.98Å; Q564-I568 WeakPolarHBondContact O-CG1 3.38Å; Q564-I568 PolarHBondContact O-N 2.78Å; Q564-I568 VanDerWaalsContact O-N 3.11Å |
| 565 | V | 72.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | N567 I568 N569 | V565-N567 VanDerWaalsContact C-N 3.3Å; V565-N567 PolarHBondContact O-N 2.89Å; V565-I568 WeakPolarHBondContact O-CB 3.41Å; V565-I568 PolarHBondContact O-N 3.5Å; V565-I568 VanDerWaalsContact O-N 3.1Å; V565-N569 PolarHBondContact O-N 3.17Å |
| 566 | N | 77.4 | Confident | 72.4 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 178.3 | -72 | -8.5 | 0 | 0 | 0 | 111.7 | I555 N562 I568 N569 V570 | I555-N566 HydrophobicContact CG2-CB 4Å; N562-N566 WeakPolarHBondContact O-CB 3.29Å; N562-N566 VanDerWaalsContact O-CG 3.29Å; N562-N566 PolarHBondContact O-N 2.92Å; N562-N566 VanDerWaalsContact O-N 3.12Å; N562-N566 PolarHBondContact O-ND2 3.49Å; N566-I568 VanDerWaalsContact C-N 3.3Å; N566-I568 PolarHBondContact O-N 2.94Å; N566-N569 PolarHBondContact O-N 3.33Å; N566-V570 WeakPolarHBondContact O-CB 3.45Å; N566-V570 VanDerWaalsContact O-CG2 3.25Å; N566-V570 WeakPolarHBondContact O-CG2 3.17Å; N566-V570 PolarHBondContact O-N 3.41Å |
| 567 | N | 77 | Confident | 72.5 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.2 | -73.6 | -16 | 0 | 0 | 0 | 111.8 | T563 Q564 V565 R571 | T563-N567 WeakPolarHBondContact O-CB 3.4Å; T563-N567 PolarHBondContact O-N 3.3Å; T563-N567 PolarHBondContact O-ND2 3.49Å; T563-N567 PolarHBondContact O-OD1 3.01Å; Q564-N567 PolarHBondContact O-N 2.98Å; V565-N567 VanDerWaalsContact C-N 3.3Å; V565-N567 PolarHBondContact O-N 2.89Å; N567-R571 VanDerWaalsContact O-CG 3.23Å; N567-R571 WeakPolarHBondContact O-CG 3.4Å; N567-R571 PolarHBondContact O-N 2.97Å; N567-R571 VanDerWaalsContact O-N 3.14Å |
| 568 | I | 75.4 | Confident | 72.7 | Confident | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -47.9 | 176.1 | -63.9 | 163.5 | 0 | 0 | 0 | 110.6 | T523 Q564 V565 N566 V570 R571 I572 F663 | T523-I568 HydrophobicContact CG2-CG2 3.56Å; Q564-I568 WeakPolarHBondContact O-CG1 3.38Å; Q564-I568 PolarHBondContact O-N 2.78Å; Q564-I568 VanDerWaalsContact O-N 3.11Å; V565-I568 WeakPolarHBondContact O-CB 3.41Å; V565-I568 PolarHBondContact O-N 3.5Å; V565-I568 VanDerWaalsContact O-N 3.1Å; N566-I568 VanDerWaalsContact C-N 3.3Å; N566-I568 PolarHBondContact O-N 2.94Å; I568-V570 PolarHBondContact O-N 3.39Å; I568-R571 WeakPolarHBondContact O-CB 3.39Å; I568-R571 PolarHBondContact O-N 3.48Å; I568-I572 HydrophobicContact CG2-CD1 4.12Å; I568-I572 WeakPolarHBondContact O-CG1 3.44Å; I568-I572 PolarHBondContact O-N 2.9Å; I568-F663 HydrophobicContact CB-CE2 4.14Å; I568-F663 HydrophobicContact CD1-CE2 3.65Å; I568-F663 HydrophobicContact CD1-CZ 3.49Å; I568-F663 VanDerWaalsContact CD1-CZ 3.49Å; I568-F663 HydrophobicContact CG1-CE2 3.69Å; I568-F663 HydrophobicContact CG1-CZ 3.98Å; I568-F663 HydrophobicContact CG2-CD2 3.82Å; I568-F663 HydrophobicContact CG2-CE2 3.35Å; I568-F663 HydrophobicContact CG2-CZ 4.32Å |
| 569 | N | 81.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | -178.8 | -68.7 | -4.3 | 0 | 0 | 0 | 112.1 | F526 Y551 V565 N566 R571 I572 C573 | F526-N569 HydrophobicContact CD1-CB 3.82Å; F526-N569 WeakPolarHBondContact CD1-OD1 3.33Å; F526-N569 HydrophobicContact CD2-CB 4.39Å; F526-N569 HydrophobicContact CE1-CB 3.56Å; F526-N569 HydrophobicContact CE2-CB 4.15Å; F526-N569 HydrophobicContact CG-CB 4.23Å; F526-N569 WeakPolarHBondContact CG-ND2 3.5Å; F526-N569 HydrophobicContact CZ-CB 3.74Å; Y551-N569 HydrophobicContact CE1-CB 4.23Å; Y551-N569 WeakPolarHBondContact OH-CB 3.35Å; V565-N569 PolarHBondContact O-N 3.17Å; N566-N569 PolarHBondContact O-N 3.33Å; N569-R571 VanDerWaalsContact C-N 3.3Å; N569-R571 PolarHBondContact O-N 3.39Å; N569-I572 PolarHBondContact O-N 2.98Å; N569-C573 PolarHBondContact O-N 3.28Å |
| 570 | V | 82.2 | Confident | 74.6 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 174.6 | 169 | 0 | 0 | 0 | 0 | 111.2 | Y551 I552 I555 N566 I568 C573 S574 | Y551-V570 HydrophobicContact CE1-CG2 4.24Å; I552-V570 HydrophobicContact CG2-CG1 4.35Å; I555-V570 HydrophobicContact CB-CG2 3.74Å; I555-V570 HydrophobicContact CG1-CG2 4.15Å; I555-V570 HydrophobicContact CG2-CG2 3.45Å; I555-V570 VanDerWaalsContact CG2-CG2 3.45Å; N566-V570 WeakPolarHBondContact O-CB 3.45Å; N566-V570 VanDerWaalsContact O-CG2 3.25Å; N566-V570 WeakPolarHBondContact O-CG2 3.17Å; N566-V570 PolarHBondContact O-N 3.41Å; I568-V570 PolarHBondContact O-N 3.39Å; V570-C573 PolarHBondContact O-N 3.3Å; V570-S574 PolarHBondContact O-N 3.39Å |
| 571 | R | 75.4 | Confident | 76 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 39% | 0.389 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.3 | -74 | 170.2 | -177.2 | -169 | 2.3 | 111.8 | N567 I568 N569 C573 S574 N575 | N567-R571 VanDerWaalsContact O-CG 3.23Å; N567-R571 WeakPolarHBondContact O-CG 3.4Å; N567-R571 PolarHBondContact O-N 2.97Å; N567-R571 VanDerWaalsContact O-N 3.14Å; I568-R571 WeakPolarHBondContact O-CB 3.39Å; I568-R571 PolarHBondContact O-N 3.48Å; N569-R571 VanDerWaalsContact C-N 3.3Å; N569-R571 PolarHBondContact O-N 3.39Å; R571-C573 VanDerWaalsContact C-N 3.31Å; R571-C573 PolarHBondContact O-N 3.02Å; R571-S574 PolarHBondContact O-N 2.65Å; R571-N575 PolarHBondContact O-N 3.31Å; R571-N575 VanDerWaalsContact O-N 3.09Å; R571-N575 PolarHBondContact O-OD1 3.26Å |
| 572 | I | 75.6 | Confident | 77.4 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -48.4 | 175.2 | -65.4 | 165 | 0 | 0 | 0 | 110.1 | T523 F526 Q527 I530 I568 N569 S574 N575 V576 | T523-I572 HydrophobicContact CG2-CD1 4.03Å; F526-I572 HydrophobicContact CD1-CD1 4.4Å; F526-I572 HydrophobicContact CE1-CB 4.42Å; F526-I572 HydrophobicContact CE1-CD1 4.49Å; F526-I572 HydrophobicContact CE1-CG2 4.42Å; Q527-I572 HydrophobicContact CG-CD1 3.76Å; I530-I572 HydrophobicContact CG2-CG2 4.37Å; I568-I572 HydrophobicContact CG2-CD1 4.12Å; I568-I572 WeakPolarHBondContact O-CG1 3.44Å; I568-I572 PolarHBondContact O-N 2.9Å; N569-I572 PolarHBondContact O-N 2.98Å; I572-S574 PolarHBondContact O-N 3.26Å; I572-N575 PolarHBondContact O-N 2.9Å; I572-V576 WeakPolarHBondContact O-CG2 3.38Å; I572-V576 PolarHBondContact O-N 2.93Å; I572-V576 VanDerWaalsContact O-N 3.09Å |
| 573 | C | 82.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 177.8 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | V548 Y551 I552 N569 V570 R571 N575 V576 K577 | V548-C573 HydrophobicContact CG1-CB 3.72Å; V548-C573 WeakPolarHBondContact CG1-O 3.29Å; Y551-C573 HydrophobicContact CD1-CB 4.02Å; Y551-C573 WeakPolarHBondContact CD1-SG 3.45Å; Y551-C573 HydrophobicContact CE1-CB 4.46Å; I552-C573 HydrophobicContact CD1-CB 4.01Å; I552-C573 HydrophobicContact CG1-CB 3.82Å; N569-C573 PolarHBondContact O-N 3.28Å; V570-C573 PolarHBondContact O-N 3.3Å; R571-C573 VanDerWaalsContact C-N 3.31Å; R571-C573 PolarHBondContact O-N 3.02Å; C573-N575 VanDerWaalsContact C-N 3.34Å; C573-N575 PolarHBondContact O-N 3.39Å; C573-V576 PolarHBondContact O-N 2.86Å; C573-K577 WeakPolarHBondContact O-CB 3.45Å; C573-K577 PolarHBondContact O-N 3.26Å |
| 574 | S | 80.2 | Confident | 79.5 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 33% | 0.329 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.7 | -163.9 | 0 | 0 | 0 | 0 | 110.9 | V570 R571 I572 V576 K577 D578 | V570-S574 PolarHBondContact O-N 3.39Å; R571-S574 PolarHBondContact O-N 2.65Å; I572-S574 PolarHBondContact O-N 3.26Å; S574-V576 VanDerWaalsContact C-N 3.3Å; S574-V576 PolarHBondContact O-N 3.34Å; S574-K577 VanDerWaalsContact O-CB 3.31Å; S574-K577 WeakPolarHBondContact O-CB 3.44Å; S574-K577 PolarHBondContact O-N 3.34Å; S574-K577 VanDerWaalsContact O-N 3.08Å; S574-D578 PolarHBondContact O-N 3.11Å; S574-D578 VanDerWaalsContact O-OD2 3.06Å |
| 575 | N | 76 | Confident | 80.1 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 179.1 | -65.1 | -1.6 | 0 | 0 | 0 | 112.4 | R571 I572 C573 D578 L579 Y661 H688 | R571-N575 PolarHBondContact O-N 3.31Å; R571-N575 VanDerWaalsContact O-N 3.09Å; R571-N575 PolarHBondContact O-OD1 3.26Å; I572-N575 PolarHBondContact O-N 2.9Å; C573-N575 VanDerWaalsContact C-N 3.34Å; C573-N575 PolarHBondContact O-N 3.39Å; N575-D578 PolarHBondContact O-N 2.82Å; N575-L579 WeakPolarHBondContact O-CB 3.29Å; N575-L579 WeakPolarHBondContact O-CG 3.38Å; N575-L579 PolarHBondContact O-N 3.42Å; N575-Y661 HydrophobicContact CB-CD1 4.38Å; N575-Y661 HydrophobicContact CB-CE1 4.11Å; N575-H688 WeakPolarHBondContact ND2-CB 3.41Å; N575-H688 PolarHBondContact ND2-O 3.06Å |
| 576 | V | 81.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | I530 L534 I544 V548 I572 C573 S574 D578 L579 V580 Y661 | I530-V576 HydrophobicContact CG2-CG2 4.18Å; L534-V576 HydrophobicContact CD1-CG1 4.46Å; L534-V576 HydrophobicContact CD1-CG2 3.94Å; L534-V576 HydrophobicContact CD2-CG1 3.52Å; L534-V576 HydrophobicContact CD2-CG2 4.48Å; I544-V576 HydrophobicContact CG2-CG1 4.4Å; V548-V576 HydrophobicContact CG1-CB 4.39Å; V548-V576 HydrophobicContact CG1-CG1 4.42Å; V548-V576 HydrophobicContact CG2-CG1 3.83Å; I572-V576 WeakPolarHBondContact O-CG2 3.38Å; I572-V576 PolarHBondContact O-N 2.93Å; I572-V576 VanDerWaalsContact O-N 3.09Å; C573-V576 PolarHBondContact O-N 2.86Å; S574-V576 VanDerWaalsContact C-N 3.3Å; S574-V576 PolarHBondContact O-N 3.34Å; V576-D578 VanDerWaalsContact C-N 3.31Å; V576-D578 PolarHBondContact O-N 3.41Å; V576-L579 PolarHBondContact O-N 2.83Å; V576-V580 HydrophobicContact CG1-CG2 4.29Å; V576-V580 VanDerWaalsContact O-CG2 3.27Å; V576-V580 WeakPolarHBondContact O-CG2 3.47Å; V576-V580 PolarHBondContact O-N 2.82Å; V576-Y661 HydrophobicContact CG2-CE1 3.97Å; V576-Y661 HydrophobicContact CG2-CE2 4.11Å; V576-Y661 WeakPolarHBondContact CG2-OH 3.14Å |
| 577 | K | 84 | Confident | 80.7 | Confident | 74 Ų | 74 | 35.3 Ų | 35.3 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 178.1 | -177.2 | -163 | 172.5 | -170 | 0 | 111.1 | L545 V548 T549 I552 C573 S574 V580 N581 | L545-K577 HydrophobicContact CD1-CB 4.34Å; L545-K577 HydrophobicContact CD1-CG 3.56Å; V548-K577 HydrophobicContact CG1-CB 4.03Å; T549-K577 HydrophobicContact CG2-CD 3.86Å; T549-K577 HydrophobicContact CG2-CG 4.04Å; I552-K577 HydrophobicContact CD1-CD 4.43Å; C573-K577 WeakPolarHBondContact O-CB 3.45Å; C573-K577 PolarHBondContact O-N 3.26Å; S574-K577 VanDerWaalsContact O-CB 3.31Å; S574-K577 WeakPolarHBondContact O-CB 3.44Å; S574-K577 PolarHBondContact O-N 3.34Å; S574-K577 VanDerWaalsContact O-N 3.08Å; K577-V580 PolarHBondContact O-N 3.19Å; K577-N581 WeakPolarHBondContact O-CB 3.2Å; K577-N581 PolarHBondContact O-N 3.47Å; K577-N581 PolarHBondContact O-ND2 2.79Å |
| 578 | D | 79.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 33.9 Ų | 33.9 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.9 | -40.4 | -177.9 | -60.2 | -30.1 | 0 | 0 | 0 | 111.3 | S574 N575 V576 N581 F582 | S574-D578 PolarHBondContact O-N 3.11Å; S574-D578 VanDerWaalsContact O-OD2 3.06Å; N575-D578 PolarHBondContact O-N 2.82Å; V576-D578 VanDerWaalsContact C-N 3.31Å; V576-D578 PolarHBondContact O-N 3.41Å; D578-N581 PolarHBondContact O-N 2.96Å; D578-F582 WeakPolarHBondContact O-CB 2.97Å; D578-F582 PolarHBondContact O-N 3.09Å |
| 579 | L | 79 | Confident | 80.8 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.4 | -80.5 | 171.6 | 0 | 0 | 0 | 113.7 | N575 V576 F582 Y583 F655 L656 F659 Y661 P690 L731 | N575-L579 WeakPolarHBondContact O-CB 3.29Å; N575-L579 WeakPolarHBondContact O-CG 3.38Å; N575-L579 PolarHBondContact O-N 3.42Å; V576-L579 PolarHBondContact O-N 2.83Å; L579-F582 WeakPolarHBondContact O-CB 3.22Å; L579-F582 PolarHBondContact O-N 3.35Å; L579-Y583 PolarHBondContact O-N 2.88Å; L579-F655 HydrophobicContact CD2-CE1 4.3Å; L579-F655 HydrophobicContact CD2-CZ 4.47Å; L579-L656 HydrophobicContact CB-CD2 4.37Å; L579-F659 HydrophobicContact CD1-CB 4.46Å; L579-F659 HydrophobicContact CD1-CD2 4.49Å; L579-F659 HydrophobicContact CD1-CG 4.41Å; L579-F659 HydrophobicContact CD2-CD2 4.36Å; L579-F659 HydrophobicContact CD2-CE2 4.23Å; L579-F659 HydrophobicContact CD2-CZ 4.3Å; L579-Y661 HydrophobicContact CD1-CE1 3.93Å; L579-Y661 VanDerWaalsContact CD1-OH 3.25Å; L579-Y661 WeakPolarHBondContact CD1-OH 3.37Å; L579-P690 HydrophobicContact CD1-CB 3.78Å; L579-P690 HydrophobicContact CD1-CG 4.14Å; L579-P690 HydrophobicContact CD2-CB 4.45Å; L579-P690 HydrophobicContact CD2-CG 4.06Å; L579-P690 HydrophobicContact CG-CB 4.5Å; L579-P690 HydrophobicContact CG-CG 4.33Å; L579-L731 HydrophobicContact CD2-CD2 3.95Å |
| 580 | V | 83.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.6 | -40 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I544 L545 V576 K577 Y583 L584 I652 L656 | I544-V580 HydrophobicContact CG2-CG2 4.04Å; L545-V580 HydrophobicContact CB-CG1 4.11Å; L545-V580 HydrophobicContact CD1-CB 4.48Å; L545-V580 HydrophobicContact CD1-CG1 4.37Å; V576-V580 HydrophobicContact CG1-CG2 4.29Å; V576-V580 VanDerWaalsContact O-CG2 3.27Å; V576-V580 WeakPolarHBondContact O-CG2 3.47Å; V576-V580 PolarHBondContact O-N 2.82Å; K577-V580 PolarHBondContact O-N 3.19Å; V580-Y583 PolarHBondContact O-N 3.41Å; V580-L584 HydrophobicContact CG1-CD1 4.25Å; V580-L584 WeakPolarHBondContact O-CG 3.3Å; V580-L584 PolarHBondContact O-N 3.44Å; V580-I652 HydrophobicContact CG1-CD1 4.19Å; V580-I652 HydrophobicContact CG2-CD1 4.4Å; V580-L656 HydrophobicContact CG2-CD1 4.39Å; V580-L656 HydrophobicContact CG2-CD2 4.14Å |
| 581 | N | 83.8 | Confident | 79.2 | Confident | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 172.9 | -75.6 | -27 | 0 | 0 | 0 | 111.7 | L545 K577 D578 Y583 L584 N585 | L545-N581 WeakPolarHBondContact CD1-OD1 3.3Å; L545-N581 VanDerWaalsContact CD2-OD1 3.28Å; L545-N581 WeakPolarHBondContact CD2-OD1 3.43Å; K577-N581 WeakPolarHBondContact O-CB 3.2Å; K577-N581 PolarHBondContact O-N 3.47Å; K577-N581 PolarHBondContact O-ND2 2.79Å; D578-N581 PolarHBondContact O-N 2.96Å; N581-Y583 VanDerWaalsContact C-N 3.34Å; N581-Y583 PolarHBondContact O-N 3.32Å; N581-L584 PolarHBondContact O-N 3.23Å; N581-N585 PolarHBondContact O-N 3.3Å; N581-N585 VanDerWaalsContact O-N 3.09Å |
| 582 | F | 82.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 175.3 | 179.3 | -93.5 | 0 | 0 | 0 | 111.9 | D578 L579 L584 N585 F586 F655 I708 I725 I726 L731 | D578-F582 WeakPolarHBondContact O-CB 2.97Å; D578-F582 PolarHBondContact O-N 3.09Å; L579-F582 WeakPolarHBondContact O-CB 3.22Å; L579-F582 PolarHBondContact O-N 3.35Å; F582-L584 PolarHBondContact O-N 3.29Å; F582-N585 PolarHBondContact O-N 2.98Å; F582-F586 HydrophobicContact CD1-CD2 4.47Å; F582-F586 HydrophobicContact CD2-CE2 4.26Å; F582-F586 HydrophobicContact CE1-CD2 4.04Å; F582-F586 HydrophobicContact CE1-CE2 4.03Å; F582-F586 HydrophobicContact CE2-CD2 4.23Å; F582-F586 AromaticContact CE2-CE2 3.58Å; F582-F586 HydrophobicContact CE2-CE2 3.58Å; F582-F586 AromaticContact CZ-CD2 3.92Å; F582-F586 HydrophobicContact CZ-CD2 3.92Å; F582-F586 AromaticContact CZ-CE2 3.43Å; F582-F586 HydrophobicContact CZ-CE2 3.43Å; F582-F586 VanDerWaalsContact CZ-CE2 3.43Å; F582-F586 HydrophobicContact CZ-CZ 4.45Å; F582-F655 HydrophobicContact CD1-CE1 4.37Å; F582-F655 HydrophobicContact CD1-CE2 4.43Å; F582-F655 AromaticContact CD1-CZ 3.65Å; F582-F655 HydrophobicContact CD1-CZ 3.65Å; F582-F655 HydrophobicContact CE1-CE2 4.35Å; F582-F655 AromaticContact CE1-CZ 3.95Å; F582-F655 HydrophobicContact CE1-CZ 3.95Å; F582-I708 HydrophobicContact CE1-CD1 3.81Å; F582-I708 HydrophobicContact CE1-CG1 4.06Å; F582-I708 HydrophobicContact CZ-CD1 3.85Å; F582-I708 HydrophobicContact CZ-CG1 4.15Å; F582-I725 HydrophobicContact CD2-CG2 4.35Å; F582-I725 HydrophobicContact CE2-CG2 4.3Å; F582-I726 HydrophobicContact CE2-CD1 3.93Å; F582-I726 HydrophobicContact CZ-CD1 4.09Å; F582-L731 HydrophobicContact CD1-CD1 4.16Å; F582-L731 HydrophobicContact CD2-CD1 4.35Å; F582-L731 HydrophobicContact CE1-CD1 3.61Å; F582-L731 HydrophobicContact CE2-CD1 3.78Å; F582-L731 HydrophobicContact CG-CD1 4.49Å; F582-L731 HydrophobicContact CZ-CD1 3.37Å |
| 583 | Y | 84 | Confident | 76.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 175.2 | 175.4 | -95.2 | 0 | 0 | 0 | 112.1 | P541 L579 V580 N581 N585 F586 Y587 L650 I652 F655 F707 | P541-Y583 HydrophobicContact CG-CE1 4.16Å; L579-Y583 PolarHBondContact O-N 2.88Å; V580-Y583 PolarHBondContact O-N 3.41Å; N581-Y583 VanDerWaalsContact C-N 3.34Å; N581-Y583 PolarHBondContact O-N 3.32Å; Y583-N585 VanDerWaalsContact C-N 3.31Å; Y583-N585 PolarHBondContact O-N 3.35Å; Y583-F586 PolarHBondContact O-N 3.37Å; Y583-Y587 HydrophobicContact CE1-CD2 4.01Å; Y583-Y587 HydrophobicContact CE1-CG 4.28Å; Y583-Y587 AromaticContact CZ-CD2 3.75Å; Y583-Y587 WeakPolarHBondContact O-CB 3.19Å; Y583-Y587 PolarHBondContact O-N 2.97Å; Y583-Y587 VanDerWaalsContact OH-CD2 3.31Å; Y583-Y587 WeakPolarHBondContact OH-CD2 3.46Å; Y583-L650 VanDerWaalsContact CE2-O 3.23Å; Y583-L650 WeakPolarHBondContact CE2-O 3.42Å; Y583-L650 PolarHBondContact OH-O 3Å; Y583-I652 HydrophobicContact CD1-CB 4.08Å; Y583-I652 HydrophobicContact CD1-CD1 3.91Å; Y583-I652 HydrophobicContact CD1-CG1 3.97Å; Y583-I652 HydrophobicContact CE1-CB 3.64Å; Y583-I652 HydrophobicContact CE1-CD1 4.23Å; Y583-I652 HydrophobicContact CE1-CG1 4.08Å; Y583-I652 HydrophobicContact CE2-CB 4.32Å; Y583-I652 HydrophobicContact CG-CD1 4.5Å; Y583-I652 HydrophobicContact CG-CG1 4.28Å; Y583-I652 PolarHBondContact OH-N 3.33Å; Y583-I652 VanDerWaalsContact OH-N 3.09Å; Y583-F655 HydrophobicContact CD2-CB 3.82Å; Y583-F655 AromaticContact CD2-CD1 3.8Å; Y583-F655 HydrophobicContact CD2-CD1 3.8Å; Y583-F655 HydrophobicContact CD2-CD2 4.31Å; Y583-F655 HydrophobicContact CD2-CE1 4.48Å; Y583-F655 AromaticContact CD2-CG 3.71Å; Y583-F655 HydrophobicContact CD2-CG 3.71Å; Y583-F655 HydrophobicContact CE2-CB 4.05Å; Y583-F655 HydrophobicContact CE2-CG 4.4Å; Y583-F655 HydrophobicContact CG-CD1 4.2Å; Y583-F707 AromaticContact CD2-CE1 3.64Å; Y583-F707 HydrophobicContact CD2-CE1 3.64Å; Y583-F707 HydrophobicContact CD2-CE2 4.41Å; Y583-F707 AromaticContact CD2-CZ 3.54Å; Y583-F707 HydrophobicContact CD2-CZ 3.54Å; Y583-F707 HydrophobicContact CE2-CE1 4.06Å; Y583-F707 HydrophobicContact CE2-CE2 4.04Å; Y583-F707 AromaticContact CE2-CZ 3.61Å; Y583-F707 HydrophobicContact CE2-CZ 3.61Å; Y583-F707 HydrophobicContact CG-CE1 4.45Å; Y583-F707 HydrophobicContact CG-CZ 4.25Å; Y583-F707 WeakPolarHBondContact O-CZ 3.3Å |
| 584 | L | 84.6 | Confident | 75.2 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -37.2 | -178.1 | -75.8 | 172.8 | 0 | 0 | 0 | 113.1 | P541 L545 V580 N581 F582 F586 Y587 S588 | P541-L584 HydrophobicContact CB-CD1 4.5Å; P541-L584 HydrophobicContact CB-CD2 3.75Å; P541-L584 HydrophobicContact CB-CG 4.28Å; P541-L584 HydrophobicContact CG-CD2 4.42Å; L545-L584 HydrophobicContact CD2-CD1 4.46Å; V580-L584 HydrophobicContact CG1-CD1 4.25Å; V580-L584 WeakPolarHBondContact O-CG 3.3Å; V580-L584 PolarHBondContact O-N 3.44Å; N581-L584 PolarHBondContact O-N 3.23Å; F582-L584 PolarHBondContact O-N 3.29Å; L584-F586 PolarHBondContact O-N 3.25Å; L584-Y587 PolarHBondContact O-N 3.45Å; L584-S588 PolarHBondContact O-N 2.79Å; L584-S588 VanDerWaalsContact O-N 3.13Å; L584-S588 PolarHBondContact O-OG 3.25Å |
| 585 | N | 83 | Confident | 73.3 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 178.4 | -72.6 | -16.1 | 0 | 0 | 0 | 113 | N581 F582 Y583 S588 I725 | N581-N585 PolarHBondContact O-N 3.3Å; N581-N585 VanDerWaalsContact O-N 3.09Å; F582-N585 PolarHBondContact O-N 2.98Å; Y583-N585 VanDerWaalsContact C-N 3.31Å; Y583-N585 PolarHBondContact O-N 3.35Å; N585-S588 PolarHBondContact O-OG 3.27Å; N585-I725 HydrophobicContact CB-CD1 4.42Å; N585-I725 HydrophobicContact CB-CG2 4.21Å |
| 586 | F | 82.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.6 | -36.4 | 176.4 | -79.9 | -76.4 | 0 | 0 | 0 | 112 | F582 Y583 L584 S588 L589 Y590 F707 I708 F722 I725 I726 | F582-F586 HydrophobicContact CD1-CD2 4.47Å; F582-F586 HydrophobicContact CD2-CE2 4.26Å; F582-F586 HydrophobicContact CE1-CD2 4.04Å; F582-F586 HydrophobicContact CE1-CE2 4.03Å; F582-F586 HydrophobicContact CE2-CD2 4.23Å; F582-F586 AromaticContact CE2-CE2 3.58Å; F582-F586 HydrophobicContact CE2-CE2 3.58Å; F582-F586 AromaticContact CZ-CD2 3.92Å; F582-F586 HydrophobicContact CZ-CD2 3.92Å; F582-F586 AromaticContact CZ-CE2 3.43Å; F582-F586 HydrophobicContact CZ-CE2 3.43Å; F582-F586 VanDerWaalsContact CZ-CE2 3.43Å; F582-F586 HydrophobicContact CZ-CZ 4.45Å; Y583-F586 PolarHBondContact O-N 3.37Å; L584-F586 PolarHBondContact O-N 3.25Å; F586-S588 VanDerWaalsContact C-N 3.28Å; F586-S588 PolarHBondContact O-N 2.91Å; F586-L589 HydrophobicContact CD1-CD1 4.23Å; F586-L589 WeakPolarHBondContact O-CB 3.4Å; F586-L589 PolarHBondContact O-N 3Å; F586-L589 VanDerWaalsContact O-N 3.07Å; F586-Y590 WeakPolarHBondContact O-CD2 3.09Å; F586-F707 HydrophobicContact CB-CD1 4.24Å; F586-F707 HydrophobicContact CB-CE1 3.54Å; F586-F707 HydrophobicContact CB-CE2 4.21Å; F586-F707 HydrophobicContact CB-CZ 3.53Å; F586-F707 HydrophobicContact CG-CE1 4.38Å; F586-I708 HydrophobicContact CE1-CG2 4.13Å; F586-I708 WeakPolarHBondContact CE1-O 3.22Å; F586-I708 HydrophobicContact CE2-CG2 4.26Å; F586-I708 HydrophobicContact CZ-CG2 3.82Å; F586-F722 HydrophobicContact CE1-CD2 4.16Å; F586-F722 HydrophobicContact CE1-CE2 4.19Å; F586-F722 HydrophobicContact CZ-CD2 4.15Å; F586-F722 AromaticContact CZ-CE2 3.98Å; F586-F722 HydrophobicContact CZ-CE2 3.98Å; F586-I725 HydrophobicContact CD2-CG2 4.16Å; F586-I725 HydrophobicContact CE2-CG2 3.46Å; F586-I725 VanDerWaalsContact CE2-CG2 3.46Å; F586-I725 HydrophobicContact CZ-CB 4.49Å; F586-I725 HydrophobicContact CZ-CG2 3.87Å; F586-I726 HydrophobicContact CE2-CD1 4.35Å; F586-I726 HydrophobicContact CZ-CD1 4.13Å |
| 587 | Y | 81.5 | Confident | 69.6 | Low | 79 Ų | 79 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 178.3 | -170.5 | -85.6 | 0 | 0 | 0 | 111.9 | Y583 L584 L589 Y590 P649 | Y583-Y587 HydrophobicContact CE1-CD2 4.01Å; Y583-Y587 HydrophobicContact CE1-CG 4.28Å; Y583-Y587 AromaticContact CZ-CD2 3.75Å; Y583-Y587 WeakPolarHBondContact O-CB 3.19Å; Y583-Y587 PolarHBondContact O-N 2.97Å; Y583-Y587 VanDerWaalsContact OH-CD2 3.31Å; Y583-Y587 WeakPolarHBondContact OH-CD2 3.46Å; L584-Y587 PolarHBondContact O-N 3.45Å; Y587-L589 PolarHBondContact O-N 2.93Å; Y587-L589 VanDerWaalsContact O-N 3.17Å; Y587-Y590 PolarHBondContact O-N 3.38Å; Y587-P649 HydrophobicContact CD2-CB 4.05Å; Y587-P649 HydrophobicContact CD2-CG 4.25Å; Y587-P649 HydrophobicContact CE2-CB 3.88Å; Y587-P649 HydrophobicContact CE2-CG 3.58Å |
| 588 | S | 78.8 | Confident | 67.3 | Low | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -24.4 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | L584 N585 F586 Y590 | L584-S588 PolarHBondContact O-N 2.79Å; L584-S588 VanDerWaalsContact O-N 3.13Å; L584-S588 PolarHBondContact O-OG 3.25Å; N585-S588 PolarHBondContact O-OG 3.27Å; F586-S588 VanDerWaalsContact C-N 3.28Å; F586-S588 PolarHBondContact O-N 2.91Å; S588-Y590 VanDerWaalsContact C-N 3.31Å |
| 589 | L | 74.7 | Confident | 65.3 | Low | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.1 | -20.3 | 177 | -61.4 | 172.9 | 0 | 0 | 0 | 112.7 | F586 Y587 P711 Q717 | F586-L589 HydrophobicContact CD1-CD1 4.23Å; F586-L589 WeakPolarHBondContact O-CB 3.4Å; F586-L589 PolarHBondContact O-N 3Å; F586-L589 VanDerWaalsContact O-N 3.07Å; Y587-L589 PolarHBondContact O-N 2.93Å; Y587-L589 VanDerWaalsContact O-N 3.17Å; L589-P711 HydrophobicContact CB-CB 4.47Å; L589-P711 HydrophobicContact CD1-CB 4.2Å; L589-Q717 HydrophobicContact CD1-CG 4.35Å |
| 590 | Y | 71.3 | Confident | 63.5 | Low | 17 Ų | 17 | 80.5 Ų | 80.5 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -80.8 | -29.3 | 178.3 | -81.4 | -92.7 | 0 | 0 | 0 | 112.8 | F586 Y587 S588 D592 T593 P649 S706 F707 P711 | F586-Y590 WeakPolarHBondContact O-CD2 3.09Å; Y587-Y590 PolarHBondContact O-N 3.38Å; S588-Y590 VanDerWaalsContact C-N 3.31Å; Y590-D592 PolarHBondContact O-N 3.32Å; Y590-T593 HydrophobicContact CD1-CG2 4.4Å; Y590-T593 WeakPolarHBondContact O-CB 3.42Å; Y590-T593 VanDerWaalsContact O-CG2 3.27Å; Y590-T593 WeakPolarHBondContact O-CG2 3.34Å; Y590-T593 PolarHBondContact O-N 2.86Å; Y590-T593 PolarHBondContact O-OG1 3.2Å; Y590-P649 HydrophobicContact CD1-CB 4.36Å; Y590-P649 HydrophobicContact CG-CB 4.17Å; Y590-S706 PolarHBondContact OH-O 3.27Å; Y590-F707 HydrophobicContact CD2-CD2 4.41Å; Y590-F707 HydrophobicContact CD2-CE2 4.3Å; Y590-F707 AromaticContact CE2-CD2 3.88Å; Y590-F707 HydrophobicContact CE2-CD2 3.88Å; Y590-F707 HydrophobicContact CE2-CE2 4.18Å; Y590-F707 WeakPolarHBondContact CE2-O 3.4Å; Y590-F707 WeakPolarHBondContact OH-CA 3.5Å; Y590-F707 PolarHBondContact OH-O 3.4Å; Y590-P711 HydrophobicContact CD2-CG 4.49Å; Y590-P711 HydrophobicContact CE2-CG 3.79Å |
| 591 | D | 59 | Low | 61.4 | Low | 108 Ų | 108 | 89.7 Ų | 89.7 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.4 | -28.1 | 178.5 | -79.2 | -25.8 | 0 | 0 | 0 | 112.2 | T593 | D591-T593 VanDerWaalsContact C-N 3.33Å; D591-T593 PolarHBondContact O-N 2.73Å |
| 592 | D | 53.6 | Low | 59.5 | Low | 126 Ų | 126 | 90.7 Ų | 90.7 | 67% | 0.674 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -82.2 | -3.9 | 179.3 | -69.4 | -25.2 | 0 | 0 | 0 | 114 | Y590 N594 | Y590-D592 PolarHBondContact O-N 3.32Å; D592-N594 VanDerWaalsContact C-N 3.31Å; D592-N594 PolarHBondContact O-N 3.21Å |
| 593 | T | 49.2 | Very low | 57.5 | Low | 27 Ų | 27 | 94.8 Ų | 94.8 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -71.6 | -13.6 | -166.5 | 55.8 | 0 | 0 | 0 | 0 | 116.2 | Y590 D591 E595 L716 | Y590-T593 HydrophobicContact CD1-CG2 4.4Å; Y590-T593 WeakPolarHBondContact O-CB 3.42Å; Y590-T593 VanDerWaalsContact O-CG2 3.27Å; Y590-T593 WeakPolarHBondContact O-CG2 3.34Å; Y590-T593 PolarHBondContact O-N 2.86Å; Y590-T593 PolarHBondContact O-OG1 3.2Å; D591-T593 VanDerWaalsContact C-N 3.33Å; D591-T593 PolarHBondContact O-N 2.73Å; T593-E595 VanDerWaalsContact C-N 3.27Å; T593-E595 PolarHBondContact O-N 3.46Å; T593-L716 HydrophobicContact CG2-CD1 3.82Å |
| 594 | N | 46.4 | Very low | 55.6 | Low | 156 Ų | 156 | 100.9 Ų | 100.9 | 83% | 0.834 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.4 | -171.3 | -79.1 | -37 | 0 | 0 | 0 | 114.8 | D592 | D592-N594 VanDerWaalsContact C-N 3.31Å; D592-N594 PolarHBondContact O-N 3.21Å |
| 595 | E | 41.8 | Very low | 53.8 | Low | 184 Ų | 184 | 105.1 Ų | 105.1 | 86% | 0.86 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -103.1 | -13.1 | -175.4 | -72.7 | -158.8 | 151.2 | 0 | 0 | 116.5 | T593 | T593-E595 VanDerWaalsContact C-N 3.27Å; T593-E595 PolarHBondContact O-N 3.46Å |
| 596 | V | 41.2 | Very low | 52.8 | Low | 84 Ų | 84 | 102.9 Ų | 102.9 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | trans | -96 | -6.9 | -161.8 | -172.8 | 0 | 0 | 0 | 0 | 115.5 | K598 L716 | V596-K598 PolarHBondContact O-N 3.07Å; V596-L716 HydrophobicContact CB-CD2 3.76Å; V596-L716 HydrophobicContact CG1-CD2 3.74Å; V596-L716 HydrophobicContact CG2-CD2 3.78Å | ||
| 597 | K | 36.9 | Very low | 51.9 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 61% | 0.609 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 13.2 | -173.5 | -80 | -164.2 | 172.5 | -163.9 | 0 | 118 | S644 V646 | K597-S644 PolarHBondContact NZ-O 2.9Å; K597-V646 VanDerWaalsContact CE-CG2 3.49Å |
| 598 | K | 36.2 | Very low | 50.9 | Low | 200 Ų | 200 | 110 Ų | 110 | 87% | 0.87 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 12.4 | -171.7 | -93.5 | -172.1 | 178.8 | -179.8 | 0 | 118 | V596 | V596-K598 PolarHBondContact O-N 3.07Š|
| 599 | K | 37.2 | Very low | 50.4 | Low | 187 Ų | 187 | 110.8 Ų | 110.8 | 81% | 0.813 | 55% | 0.55 | S | S | * | * | trans | -137 | 72.7 | -173.6 | -70.8 | -176.7 | 177.6 | 177.7 | 0 | 114.7 | ||||
| 600 | L | 42.2 | Very low | 50.6 | Low | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | trans | -153.6 | 90 | 157.7 | -101.7 | 117.1 | 0 | 0 | 0 | 109.2 | N752 I755 | L600-N752 WeakPolarHBondContact CD2-OD1 3.31Å; L600-I755 HydrophobicContact CD2-CD1 3.55Å | ||
| 601 | E | 40.5 | Very low | 51.1 | Low | 193 Ų | 193 | 108.5 Ų | 108.5 | 90% | 0.902 | 54% | 0.54 | S | S | * | . | trans | -125.3 | 121.6 | 163.6 | -77.1 | -175.1 | 173.6 | 0 | 0 | 108 | ||||
| 602 | F | 42.4 | Very low | 52.3 | Low | 74 Ų | 74 | 107.4 Ų | 107.4 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | trans | -74.4 | 125.2 | 178.1 | -95.9 | -96.1 | 0 | 0 | 0 | 110.8 | P754 I755 I889 | F602-P754 HydrophobicContact CE1-CB 4.39Å; F602-P754 HydrophobicContact CE1-CG 4.04Å; F602-P754 HydrophobicContact CZ-CB 4.07Å; F602-P754 HydrophobicContact CZ-CG 3.85Å; F602-I755 HydrophobicContact CE2-CD1 3.64Å; F602-I755 HydrophobicContact CE2-CG1 4.24Å; F602-I755 HydrophobicContact CZ-CD1 3.71Å; F602-I755 HydrophobicContact CZ-CG1 3.9Å; F602-I889 HydrophobicContact CD1-CD1 3.91Å; F602-I889 HydrophobicContact CE1-CD1 3.44Å; F602-I889 VanDerWaalsContact CE1-CD1 3.44Å; F602-I889 HydrophobicContact CE2-CD1 4.34Å; F602-I889 HydrophobicContact CZ-CD1 3.68Å | ||
| 603 | T | 39.9 | Very low | 53.7 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | trans | -90.1 | 129.1 | 172 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | T605 S606 | T603-T605 PolarHBondContact O-N 3.3Å; T603-S606 PolarHBondContact O-N 2.96Å; T603-S606 PolarHBondContact O-OG 2.89Å | ||
| 604 | K | 45.7 | Very low | 55.4 | Low | 135 Ų | 135 | 102.6 Ų | 102.6 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -50.6 | -16.7 | -172.2 | -65.7 | -175.7 | 176.1 | -167.4 | 0 | 117.4 | S606 N1034 | K604-S606 VanDerWaalsContact C-N 3.29Å; K604-S606 PolarHBondContact O-N 2.85Å; K604-N1034 WeakPolarHBondContact CD-OD1 3.22Å; K604-N1034 WeakPolarHBondContact CE-OD1 3.27Å; K604-N1034 PolarHBondContact NZ-OD1 3.18Å |
| 605 | T | 46.7 | Very low | 57.3 | Low | 134 Ų | 134 | 95.4 Ų | 95.4 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -76.1 | -9.1 | -179.7 | 45.1 | 0 | 0 | 0 | 0 | 114.7 | T603 | T603-T605 PolarHBondContact O-N 3.3Š|
| 606 | S | 60.5 | Low | 59.3 | Low | 21 Ų | 21 | 92.7 Ų | 92.7 | 15% | 0.147 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -90.1 | -5.5 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | T603 K604 K608 T609 C610 | T603-S606 PolarHBondContact O-N 2.96Å; T603-S606 PolarHBondContact O-OG 2.89Å; K604-S606 VanDerWaalsContact C-N 3.29Å; K604-S606 PolarHBondContact O-N 2.85Å; S606-K608 PolarHBondContact O-N 2.82Å; S606-T609 PolarHBondContact O-N 3.28Å; S606-T609 PolarHBondContact O-OG1 3.47Å; S606-C610 PolarHBondContact O-N 3.1Å; S606-C610 PolarHBondContact O-SG 2.87Å |
| 607 | H | 63.9 | Low | 61.3 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | -164.8 | -155.4 | -62.7 | 0 | 0 | 0 | 113.4 | T609 C610 V611 D633 | H607-T609 PolarHBondContact O-N 3.31Å; H607-C610 WeakPolarHBondContact O-CA 3.27Å; H607-C610 WeakPolarHBondContact O-CB 3.42Å; H607-C610 PolarHBondContact O-N 3.2Å; H607-V611 WeakPolarHBondContact O-CG2 3.25Å; H607-V611 PolarHBondContact O-N 2.89Å; H607-D633 IonicContact NE2-OD2 3.34Å |
| 608 | K | 60.8 | Low | 63.6 | Low | 157 Ų | 157 | 82.5 Ų | 82.5 | 68% | 0.683 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | -177.6 | -168.7 | 172.2 | -178.3 | 172.8 | 0 | 112.8 | S606 C610 V611 E612 | S606-K608 PolarHBondContact O-N 2.82Å; K608-C610 PolarHBondContact O-N 3.35Å; K608-V611 PolarHBondContact O-N 2.72Å; K608-E612 PolarHBondContact O-N 2.96Å |
| 609 | T | 68.6 | Low | 65.8 | Low | 79 Ų | 79 | 75.1 Ų | 75.1 | 49% | 0.485 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -28.4 | 172.9 | 43 | 0 | 0 | 0 | 0 | 112.5 | S606 H607 F613 | S606-T609 PolarHBondContact O-N 3.28Å; S606-T609 PolarHBondContact O-OG1 3.47Å; H607-T609 PolarHBondContact O-N 3.31Å; T609-F613 VanDerWaalsContact O-CB 3.25Å; T609-F613 WeakPolarHBondContact O-CB 3.37Å; T609-F613 PolarHBondContact O-N 3.45Å; T609-F613 VanDerWaalsContact O-N 3.14Å |
| 610 | C | 77.8 | Confident | 67.9 | Low | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.8 | -37.5 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | S606 H607 K608 F613 I614 | S606-C610 PolarHBondContact O-N 3.1Å; S606-C610 PolarHBondContact O-SG 2.87Å; H607-C610 WeakPolarHBondContact O-CA 3.27Å; H607-C610 WeakPolarHBondContact O-CB 3.42Å; H607-C610 PolarHBondContact O-N 3.2Å; K608-C610 PolarHBondContact O-N 3.35Å; C610-F613 PolarHBondContact O-N 3.1Å; C610-I614 WeakPolarHBondContact O-CB 3.42Å; C610-I614 VanDerWaalsContact O-CG1 3.31Å; C610-I614 WeakPolarHBondContact O-CG1 3.41Å; C610-I614 PolarHBondContact O-N 2.96Å |
| 611 | V | 82.7 | Confident | 70 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -50 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | H607 K608 F613 I614 A615 L622 A625 E626 L629 | H607-V611 WeakPolarHBondContact O-CG2 3.25Å; H607-V611 PolarHBondContact O-N 2.89Å; K608-V611 PolarHBondContact O-N 2.72Å; V611-F613 VanDerWaalsContact C-N 3.31Å; V611-F613 PolarHBondContact O-N 2.92Å; V611-I614 PolarHBondContact O-N 2.81Å; V611-A615 WeakPolarHBondContact O-CB 3.16Å; V611-A615 PolarHBondContact O-N 2.91Å; V611-L622 HydrophobicContact CG1-CD2 3.74Å; V611-L622 HydrophobicContact CG1-CG 4.39Å; V611-L622 WeakPolarHBondContact CG1-O 3.44Å; V611-A625 HydrophobicContact CG1-CB 4.04Å; V611-E626 HydrophobicContact CG1-CB 3.94Å; V611-E626 HydrophobicContact CG2-CB 4.5Å; V611-L629 HydrophobicContact CB-CD1 4.36Å; V611-L629 HydrophobicContact CG2-CD1 3.69Å |
| 612 | E | 83.5 | Confident | 72.1 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 177.5 | -69.8 | 172.6 | -174.4 | 0 | 0 | 110.7 | K608 I614 A615 D616 L622 | K608-E612 PolarHBondContact O-N 2.96Å; E612-I614 PolarHBondContact O-N 2.86Å; E612-A615 PolarHBondContact O-N 2.83Å; E612-D616 WeakPolarHBondContact O-CB 3.41Å; E612-D616 VanDerWaalsContact O-CG 3.27Å; E612-D616 PolarHBondContact O-N 2.83Å; E612-L622 HydrophobicContact CG-CD1 4.44Å; E612-L622 HydrophobicContact CG-CD2 4.29Å |
| 613 | F | 84.4 | Confident | 73.9 | Confident | 52 Ų | 52 | 68 Ų | 68 | 23% | 0.228 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 175.7 | 172.3 | -103.4 | 0 | 0 | 0 | 113.2 | T609 C610 V611 D616 L617 D758 F887 | T609-F613 VanDerWaalsContact O-CB 3.25Å; T609-F613 WeakPolarHBondContact O-CB 3.37Å; T609-F613 PolarHBondContact O-N 3.45Å; T609-F613 VanDerWaalsContact O-N 3.14Å; C610-F613 PolarHBondContact O-N 3.1Å; V611-F613 VanDerWaalsContact C-N 3.31Å; V611-F613 PolarHBondContact O-N 2.92Å; F613-D616 PolarHBondContact O-N 3.2Å; F613-L617 HydrophobicContact CE1-CD2 4.08Å; F613-L617 HydrophobicContact CZ-CD2 4.13Å; F613-L617 WeakPolarHBondContact O-CB 3.38Å; F613-L617 PolarHBondContact O-N 2.82Å; F613-D758 HydrophobicContact CE1-CB 4.2Å; F613-D758 HydrophobicContact CZ-CB 4.01Å; F613-F887 HydrophobicContact CD2-CD2 4.41Å; F613-F887 HydrophobicContact CE1-CB 4.37Å; F613-F887 HydrophobicContact CG-CD2 4.39Å; F613-F887 HydrophobicContact CZ-CB 4.15Å |
| 614 | I | 85 | Confident | 75.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | -179.6 | -74.1 | 167.5 | 0 | 0 | 0 | 111 | C610 V611 E612 L617 L618 A625 L629 P754 | C610-I614 WeakPolarHBondContact O-CB 3.42Å; C610-I614 VanDerWaalsContact O-CG1 3.31Å; C610-I614 WeakPolarHBondContact O-CG1 3.41Å; C610-I614 PolarHBondContact O-N 2.96Å; V611-I614 PolarHBondContact O-N 2.81Å; E612-I614 PolarHBondContact O-N 2.86Å; I614-L617 PolarHBondContact O-N 2.85Å; I614-L618 HydrophobicContact CG2-CD1 3.73Å; I614-L618 HydrophobicContact CG2-CG 4.23Å; I614-L618 WeakPolarHBondContact O-CB 3.32Å; I614-L618 PolarHBondContact O-N 2.92Å; I614-A625 HydrophobicContact CB-CB 4.35Å; I614-A625 HydrophobicContact CG2-CB 3.94Å; I614-L629 HydrophobicContact CD1-CD1 3.85Å; I614-L629 HydrophobicContact CD1-CD2 3.56Å; I614-L629 HydrophobicContact CD1-CG 3.79Å; I614-P754 HydrophobicContact CD1-CB 4.1Å; I614-P754 HydrophobicContact CD1-CG 4.05Å |
| 615 | A | 85.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V611 E612 C619 C620 L622 A625 | V611-A615 WeakPolarHBondContact O-CB 3.16Å; V611-A615 PolarHBondContact O-N 2.91Å; E612-A615 PolarHBondContact O-N 2.83Å; A615-C619 PolarHBondContact O-N 2.94Å; A615-C619 VanDerWaalsContact O-N 3.11Å; A615-C620 PolarHBondContact O-N 3.14Å; A615-L622 HydrophobicContact CB-CG 4.32Å; A615-A625 HydrophobicContact CB-CB 3.7Å |
| 616 | D | 83.2 | Confident | 79.3 | Confident | 127 Ų | 127 | 59.4 Ų | 59.4 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 176 | -73.8 | -14.3 | 0 | 0 | 0 | 111.6 | E612 F613 | E612-D616 WeakPolarHBondContact O-CB 3.41Å; E612-D616 VanDerWaalsContact O-CG 3.27Å; E612-D616 PolarHBondContact O-N 2.83Å; F613-D616 PolarHBondContact O-N 3.2Å |
| 617 | L | 84.2 | Confident | 80.1 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -43.3 | -178.2 | -176.7 | 68.5 | 0 | 0 | 0 | 112.3 | F613 I614 I757 H761 C859 | F613-L617 HydrophobicContact CE1-CD2 4.08Å; F613-L617 HydrophobicContact CZ-CD2 4.13Å; F613-L617 WeakPolarHBondContact O-CB 3.38Å; F613-L617 PolarHBondContact O-N 2.82Å; I614-L617 PolarHBondContact O-N 2.85Å; L617-I757 HydrophobicContact CD2-CG1 4.49Å; L617-I757 HydrophobicContact CD2-CG2 3.81Å; L617-H761 HydrophobicContact CD1-CB 4.31Å; L617-C859 PolarHBondContact O-SG 3.13Å |
| 618 | L | 83.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -88.7 | -1 | -175.8 | -68.6 | -177.8 | 0 | 0 | 0 | 114.3 | I614 C620 I757 L855 R858 C859 | I614-L618 HydrophobicContact CG2-CD1 3.73Å; I614-L618 HydrophobicContact CG2-CG 4.23Å; I614-L618 WeakPolarHBondContact O-CB 3.32Å; I614-L618 PolarHBondContact O-N 2.92Å; L618-C620 VanDerWaalsContact C-N 3.29Å; L618-C620 PolarHBondContact O-N 2.89Å; L618-I757 HydrophobicContact CD1-CD1 3.74Å; L618-I757 HydrophobicContact CD2-CD1 3.67Å; L618-I757 HydrophobicContact CD2-CG1 4.32Å; L618-I757 HydrophobicContact CG-CD1 3.95Å; L618-L855 HydrophobicContact CD1-CD1 4.31Å; L618-L855 HydrophobicContact CD2-CB 4.26Å; L618-R858 PolarHBondContact O-NH2 3.49Å; L618-C859 HydrophobicContact CD2-CB 4.37Å |
| 619 | C | 82.3 | Confident | 81.9 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 50.8 | -173 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | A615 F862 | A615-C619 PolarHBondContact O-N 2.94Å; A615-C619 VanDerWaalsContact O-N 3.11Å; C619-F862 HydrophobicContact CB-CD1 3.86Å; C619-F862 HydrophobicContact CB-CE1 3.97Å |
| 620 | C | 82.9 | Confident | 82.3 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | -126.4 | 167.9 | 178 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | A615 L618 D624 | A615-C620 PolarHBondContact O-N 3.14Å; L618-C620 VanDerWaalsContact C-N 3.29Å; L618-C620 PolarHBondContact O-N 2.89Å; C620-D624 HydrophobicContact CB-CB 4.15Å | ||
| 621 | D | 84.6 | Confident | 82.3 | Confident | 118 Ų | 118 | 51 Ų | 51 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | trans | -67 | 154.4 | 175.5 | -69 | -33.7 | 0 | 0 | 0 | 110.7 | E623 D624 A625 | D621-E623 PolarHBondContact O-N 2.88Å; D621-D624 PolarHBondContact O-N 3.06Å; D621-D624 VanDerWaalsContact O-N 3.1Å; D621-A625 PolarHBondContact O-N 2.79Å; D621-A625 VanDerWaalsContact O-N 3.1Å | ||
| 622 | L | 84.6 | Confident | 82.1 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59 | -35 | -179.1 | -123.6 | 133.6 | 0 | 0 | 0 | 111.8 | V611 E612 A615 E626 | V611-L622 HydrophobicContact CG1-CD2 3.74Å; V611-L622 HydrophobicContact CG1-CG 4.39Å; V611-L622 WeakPolarHBondContact CG1-O 3.44Å; E612-L622 HydrophobicContact CG-CD1 4.44Å; E612-L622 HydrophobicContact CG-CD2 4.29Å; A615-L622 HydrophobicContact CB-CG 4.32Å; L622-E626 WeakPolarHBondContact O-CB 3.42Å; L622-E626 PolarHBondContact O-N 2.81Å |
| 623 | E | 80.4 | Confident | 81.7 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 176.7 | -64 | -178.3 | -173.2 | 0 | 0 | 111.9 | D621 E626 H627 | D621-E623 PolarHBondContact O-N 2.88Å; E623-E626 PolarHBondContact O-N 3.17Å; E623-H627 WeakPolarHBondContact O-CB 3.42Å; E623-H627 PolarHBondContact O-N 3.1Å |
| 624 | D | 79.6 | Confident | 81 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 178.3 | -70.5 | -26.3 | 0 | 0 | 0 | 111.6 | C620 D621 H627 C628 | C620-D624 HydrophobicContact CB-CB 4.15Å; D621-D624 PolarHBondContact O-N 3.06Å; D621-D624 VanDerWaalsContact O-N 3.1Å; D624-H627 PolarHBondContact O-N 3.35Å; D624-C628 WeakPolarHBondContact O-CB 3.23Å; D624-C628 PolarHBondContact O-N 2.85Å |
| 625 | A | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V611 I614 A615 D621 C628 L629 | V611-A625 HydrophobicContact CG1-CB 4.04Å; I614-A625 HydrophobicContact CB-CB 4.35Å; I614-A625 HydrophobicContact CG2-CB 3.94Å; A615-A625 HydrophobicContact CB-CB 3.7Å; D621-A625 PolarHBondContact O-N 2.79Å; D621-A625 VanDerWaalsContact O-N 3.1Å; A625-C628 PolarHBondContact O-N 2.47Å; A625-L629 PolarHBondContact O-N 2.87Å; A625-L629 VanDerWaalsContact O-N 3.11Å |
| 626 | E | 82.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 51 Ų | 51 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.1 | -169.9 | 176.1 | 175.7 | 0 | 0 | 111.1 | V611 L622 E623 C628 L629 Q630 | V611-E626 HydrophobicContact CG1-CB 3.94Å; V611-E626 HydrophobicContact CG2-CB 4.5Å; L622-E626 WeakPolarHBondContact O-CB 3.42Å; L622-E626 PolarHBondContact O-N 2.81Å; E623-E626 PolarHBondContact O-N 3.17Å; E626-C628 VanDerWaalsContact C-N 3.33Å; E626-C628 PolarHBondContact O-N 3.14Å; E626-L629 PolarHBondContact O-N 2.84Å; E626-Q630 WeakPolarHBondContact O-CG 3.26Å; E626-Q630 PolarHBondContact O-N 3.07Å; E626-Q630 PolarHBondContact OE1-NE2 3.09Å |
| 627 | H | 78.3 | Confident | 79 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.9 | 178.3 | 71.8 | 0 | 0 | 0 | 112.2 | E623 D624 Q630 L631 E951 R1055 | E623-H627 WeakPolarHBondContact O-CB 3.42Å; E623-H627 PolarHBondContact O-N 3.1Å; D624-H627 PolarHBondContact O-N 3.35Å; H627-Q630 PolarHBondContact O-N 3.22Å; H627-L631 WeakPolarHBondContact O-CB 3.19Å; H627-L631 PolarHBondContact O-N 3.42Å; H627-E951 IonicContact CD2-OE1 3.07Å; H627-E951 PolarHBondContact CD2-OE1 2.83Å; H627-E951 VanDerWaalsContact CD2-OE1 3.24Å; H627-E951 IonicContact NE2-OE1 2.74Å; H627-E951 PolarHBondContact NE2-OE1 2.95Å; H627-R1055 PolarHBondContact NE2-NH2 2.84Å; H627-R1055 VanDerWaalsContact NE2-NH2 3.16Å |
| 628 | C | 80.8 | Confident | 78 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | D624 A625 E626 L631 Y632 | D624-C628 WeakPolarHBondContact O-CB 3.23Å; D624-C628 PolarHBondContact O-N 2.85Å; A625-C628 PolarHBondContact O-N 2.47Å; E626-C628 VanDerWaalsContact C-N 3.33Å; E626-C628 PolarHBondContact O-N 3.14Å; C628-L631 PolarHBondContact O-N 3.35Å; C628-Y632 WeakPolarHBondContact O-CD2 3.31Å; C628-Y632 PolarHBondContact O-N 2.93Å |
| 629 | L | 81 | Confident | 77.1 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.8 | -79.8 | 165 | 0 | 0 | 0 | 112 | V611 I614 A625 E626 L631 Y632 D633 L753 P754 | V611-L629 HydrophobicContact CB-CD1 4.36Å; V611-L629 HydrophobicContact CG2-CD1 3.69Å; I614-L629 HydrophobicContact CD1-CD1 3.85Å; I614-L629 HydrophobicContact CD1-CD2 3.56Å; I614-L629 HydrophobicContact CD1-CG 3.79Å; A625-L629 PolarHBondContact O-N 2.87Å; A625-L629 VanDerWaalsContact O-N 3.11Å; E626-L629 PolarHBondContact O-N 2.84Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 3.14Å; L629-Y632 PolarHBondContact O-N 3.25Å; L629-Y632 VanDerWaalsContact O-N 3.15Å; L629-D633 PolarHBondContact O-N 3.38Å; L629-L753 HydrophobicContact CD2-CD2 4.17Å; L629-P754 HydrophobicContact CD2-CG 4.02Å |
| 630 | Q | 77 | Confident | 76 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.7 | -70.6 | 175.8 | 9.2 | 0 | 0 | 111.8 | E626 H627 Y632 D633 V634 | E626-Q630 WeakPolarHBondContact O-CG 3.26Å; E626-Q630 PolarHBondContact O-N 3.07Å; E626-Q630 PolarHBondContact OE1-NE2 3.09Å; H627-Q630 PolarHBondContact O-N 3.22Å; Q630-Y632 VanDerWaalsContact C-N 3.33Å; Q630-Y632 PolarHBondContact O-N 3.07Å; Q630-D633 PolarHBondContact O-N 3.44Å; Q630-V634 VanDerWaalsContact O-CG2 3.25Å; Q630-V634 WeakPolarHBondContact O-CG2 3.24Å; Q630-V634 PolarHBondContact O-N 3.11Å |
| 631 | L | 77.2 | Confident | 74.4 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.2 | 178.6 | 144.2 | 0 | 0 | 0 | 112 | H627 C628 L629 V634 C635 Y851 E951 L954 T955 | H627-L631 WeakPolarHBondContact O-CB 3.19Å; H627-L631 PolarHBondContact O-N 3.42Å; C628-L631 PolarHBondContact O-N 3.35Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 3.14Å; L631-V634 PolarHBondContact O-N 2.89Å; L631-C635 PolarHBondContact O-N 2.79Å; L631-C635 PolarHBondContact O-SG 2.83Å; L631-Y851 HydrophobicContact CD2-CE1 4.48Å; L631-E951 HydrophobicContact CD1-CG 3.75Å; L631-L954 HydrophobicContact CD1-CD2 4.02Å; L631-L954 HydrophobicContact CD2-CD1 4.33Å; L631-L954 HydrophobicContact CD2-CD2 3.64Å; L631-L954 HydrophobicContact CG-CD2 3.94Å; L631-T955 HydrophobicContact CD1-CG2 4.28Å |
| 632 | Y | 79.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -37.6 | 177.5 | -89.5 | -110.1 | 0 | 0 | 0 | 113.2 | C628 L629 Q630 V634 C635 G636 L753 S848 Y851 L852 | C628-Y632 WeakPolarHBondContact O-CD2 3.31Å; C628-Y632 PolarHBondContact O-N 2.93Å; L629-Y632 PolarHBondContact O-N 3.25Å; L629-Y632 VanDerWaalsContact O-N 3.15Å; Q630-Y632 VanDerWaalsContact C-N 3.33Å; Q630-Y632 PolarHBondContact O-N 3.07Å; Y632-V634 VanDerWaalsContact C-N 3.3Å; Y632-V634 PolarHBondContact O-N 3.4Å; Y632-C635 WeakPolarHBondContact O-CB 3.21Å; Y632-C635 PolarHBondContact O-N 2.9Å; Y632-G636 PolarHBondContact O-N 3.27Å; Y632-L753 HydrophobicContact CD1-CB 3.9Å; Y632-L753 HydrophobicContact CD1-CD1 4.01Å; Y632-L753 HydrophobicContact CD1-CD2 4.15Å; Y632-L753 HydrophobicContact CD1-CG 4.24Å; Y632-L753 HydrophobicContact CD2-CD2 3.86Å; Y632-L753 HydrophobicContact CE1-CD1 3.84Å; Y632-L753 HydrophobicContact CE2-CD1 4.37Å; Y632-L753 HydrophobicContact CE2-CD2 4.31Å; Y632-L753 HydrophobicContact CG-CB 4.22Å; Y632-L753 HydrophobicContact CG-CD1 4.41Å; Y632-L753 HydrophobicContact CG-CD2 3.77Å; Y632-L753 HydrophobicContact CG-CG 4.35Å; Y632-S848 PolarHBondContact OH-O 3.03Å; Y632-Y851 AromaticContact CE2-CD1 3.85Å; Y632-Y851 HydrophobicContact CE2-CD1 3.85Å; Y632-Y851 HydrophobicContact CE2-CE1 4.13Å; Y632-L852 HydrophobicContact CE1-CD1 4.25Å; Y632-L852 WeakPolarHBondContact OH-CB 3.21Å |
| 633 | D | 74.1 | Confident | 70.7 | Confident | 96 Ų | 96 | 54 Ų | 54 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 172.8 | -74.3 | -18.8 | 0 | 0 | 0 | 111 | H607 L629 Q630 G636 S637 | H607-D633 IonicContact NE2-OD2 3.34Å; L629-D633 PolarHBondContact O-N 3.38Å; Q630-D633 PolarHBondContact O-N 3.44Å; D633-G636 PolarHBondContact O-N 2.81Å; D633-S637 PolarHBondContact O-N 3.11Å |
| 634 | V | 70.9 | Confident | 68.9 | Low | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | Q630 L631 Y632 G636 S637 I638 L958 I1048 | Q630-V634 VanDerWaalsContact O-CG2 3.25Å; Q630-V634 WeakPolarHBondContact O-CG2 3.24Å; Q630-V634 PolarHBondContact O-N 3.11Å; L631-V634 PolarHBondContact O-N 2.89Å; Y632-V634 VanDerWaalsContact C-N 3.3Å; Y632-V634 PolarHBondContact O-N 3.4Å; V634-G636 PolarHBondContact O-N 3.07Å; V634-S637 PolarHBondContact O-N 3.11Å; V634-S637 VanDerWaalsContact O-N 3.13Å; V634-S637 PolarHBondContact O-OG 3.42Å; V634-I638 HydrophobicContact CG1-CD1 3.57Å; V634-I638 WeakPolarHBondContact O-CD1 3.43Å; V634-I638 WeakPolarHBondContact O-CG1 3.32Å; V634-I638 PolarHBondContact O-N 2.9Å; V634-L958 HydrophobicContact CG1-CD1 4.39Å; V634-I1048 HydrophobicContact CG1-CD1 4.14Å; V634-I1048 HydrophobicContact CG1-CG1 4.13Å |
| 635 | C | 73.1 | Confident | 67.2 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | 173.8 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | L631 Y632 S637 I638 L639 Y750 L958 | L631-C635 PolarHBondContact O-N 2.79Å; L631-C635 PolarHBondContact O-SG 2.83Å; Y632-C635 WeakPolarHBondContact O-CB 3.21Å; Y632-C635 PolarHBondContact O-N 2.9Å; C635-S637 VanDerWaalsContact C-N 3.3Å; C635-S637 PolarHBondContact O-N 3.29Å; C635-I638 PolarHBondContact O-N 2.88Å; C635-L639 HydrophobicContact CB-CD1 4.14Å; C635-L639 WeakPolarHBondContact O-CB 3.25Å; C635-L639 PolarHBondContact O-N 3.2Å; C635-Y750 HydrophobicContact CB-CG 4.15Å; C635-L958 HydrophobicContact CB-CD2 4.31Å |
| 636 | G | 70.9 | Confident | 65.3 | Low | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.5 | -19.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y632 D633 V634 | Y632-G636 PolarHBondContact O-N 3.27Å; D633-G636 PolarHBondContact O-N 2.81Å; V634-G636 PolarHBondContact O-N 3.07Å |
| 637 | S | 67.1 | Low | 63.8 | Low | 80 Ų | 80 | 53.2 Ų | 53.2 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -80.3 | -25.4 | 171.1 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | D633 V634 C635 | D633-S637 PolarHBondContact O-N 3.11Å; V634-S637 PolarHBondContact O-N 3.11Å; V634-S637 VanDerWaalsContact O-N 3.13Å; V634-S637 PolarHBondContact O-OG 3.42Å; C635-S637 VanDerWaalsContact C-N 3.3Å; C635-S637 PolarHBondContact O-N 3.29Å |
| 638 | I | 64.2 | Low | 62.9 | Low | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.179 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -100.3 | -44.4 | -171 | -63.7 | 161.9 | 0 | 0 | 0 | 111.6 | V634 C635 L958 L961 I1044 I1048 | V634-I638 HydrophobicContact CG1-CD1 3.57Å; V634-I638 WeakPolarHBondContact O-CD1 3.43Å; V634-I638 WeakPolarHBondContact O-CG1 3.32Å; V634-I638 PolarHBondContact O-N 2.9Å; C635-I638 PolarHBondContact O-N 2.88Å; I638-L958 HydrophobicContact CD1-CB 4.5Å; I638-L958 HydrophobicContact CD1-CD2 4.23Å; I638-L961 HydrophobicContact CG2-CB 4.46Å; I638-I1044 HydrophobicContact CD1-CG2 4.42Å; I638-I1048 HydrophobicContact CD1-CD1 3.4Å; I638-I1048 VanDerWaalsContact CD1-CD1 3.4Å |
| 639 | L | 63.6 | Low | 62.2 | Low | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -79.2 | 132.9 | -174.7 | -69.8 | 164.9 | 0 | 0 | 0 | 109.5 | C635 S641 Y750 L961 | C635-L639 HydrophobicContact CB-CD1 4.14Å; C635-L639 WeakPolarHBondContact O-CB 3.25Å; C635-L639 PolarHBondContact O-N 3.2Å; L639-S641 PolarHBondContact O-N 3.15Å; L639-Y750 HydrophobicContact CB-CD1 4.17Å; L639-Y750 HydrophobicContact CB-CE1 3.49Å; L639-Y750 VanDerWaalsContact CB-CE1 3.49Å; L639-Y750 HydrophobicContact CB-CE2 4.4Å; L639-Y750 HydrophobicContact CD1-CD1 3.63Å; L639-Y750 HydrophobicContact CD1-CE1 3.77Å; L639-Y750 HydrophobicContact CD1-CG 4.37Å; L639-Y750 HydrophobicContact CG-CE1 4.26Å; L639-Y750 PolarHBondContact O-OH 3.42Å; L639-L961 HydrophobicContact CD2-CD1 3.41Å; L639-L961 VanDerWaalsContact CD2-CD1 3.41Å |
| 640 | P | 58.6 | Low | 61.8 | Low | 84 Ų | 84 | 62.5 Ų | 62.5 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | trans | -61 | 140.7 | 171.2 | 25.5 | -32.2 | 0 | 0 | 0 | 109.1 | S642 Y750 P978 | P640-S642 PolarHBondContact O-N 3.34Å; P640-Y750 PolarHBondContact O-OH 3.26Å; P640-P978 HydrophobicContact CG-CG 4.03Å | ||
| 641 | S | 50.7 | Low | 61.8 | Low | 88 Ų | 88 | 60.9 Ų | 60.9 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | trans | -57.2 | 114 | 172.4 | 46.2 | 0 | 0 | 0 | 0 | 107.7 | L639 S643 Y750 | L639-S641 PolarHBondContact O-N 3.15Å; S641-S643 VanDerWaalsContact C-N 3.31Å; S641-S643 PolarHBondContact O-N 3.4Å; S641-Y750 VanDerWaalsContact CA-OH 3.3Å; S641-Y750 WeakPolarHBondContact CA-OH 3.33Å; S641-Y750 PolarHBondContact N-OH 3.19Å | ||
| 642 | S | 48.3 | Very low | 61.8 | Low | 66 Ų | 66 | 61 Ų | 61 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | trans | -57.6 | 107.3 | 165.2 | 47.1 | 0 | 0 | 0 | 0 | 104.7 | P640 S644 | P640-S642 PolarHBondContact O-N 3.34Å; S642-S644 PolarHBondContact O-N 2.97Å | ||
| 643 | S | 42 | Very low | 61.6 | Low | 103 Ų | 103 | 62.6 Ų | 62.6 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | trans | -62.7 | 98.5 | 171.6 | 57.6 | 0 | 0 | 0 | 0 | 104.7 | S641 S645 | S641-S643 VanDerWaalsContact C-N 3.31Å; S641-S643 PolarHBondContact O-N 3.4Å; S643-S645 PolarHBondContact O-N 2.79Å | ||
| 644 | S | 43.5 | Very low | 61.6 | Low | 63 Ų | 63 | 62.4 Ų | 62.4 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | trans | -65.7 | 73.5 | 165.3 | 53.8 | 0 | 0 | 0 | 0 | 106.4 | K597 S642 V646 | K597-S644 PolarHBondContact NZ-O 2.9Å; S642-S644 PolarHBondContact O-N 2.97Å; S644-V646 PolarHBondContact O-N 3.08Å | ||
| 645 | S | 43.2 | Very low | 61.9 | Low | 76 Ų | 76 | 61.1 Ų | 61.1 | 53% | 0.531 | 37% | 0.366 | S | S | . | . | trans | -52.3 | 119.3 | 155.7 | 50.7 | 0 | 0 | 0 | 0 | 104 | S643 E647 | S643-S645 PolarHBondContact O-N 2.79Å; S645-E647 PolarHBondContact O-N 2.93Å | ||
| 646 | V | 44.2 | Very low | 61.9 | Low | 65 Ų | 65 | 61.2 Ų | 61.2 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | trans | -60 | 97.4 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 103.9 | K597 S644 | K597-V646 VanDerWaalsContact CE-CG2 3.49Å; S644-V646 PolarHBondContact O-N 3.08Å | ||
| 647 | E | 51.4 | Low | 61.9 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 144.8 | 174.8 | -72.9 | -176.4 | 146.1 | 0 | 0 | 107.2 | S645 | S645-E647 PolarHBondContact O-N 2.93Š|
| 648 | K | 59.6 | Low | 61.9 | Low | 195 Ų | 195 | 59.3 Ų | 59.3 | 85% | 0.848 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 139.5 | 179.2 | -69 | 177.9 | 178.4 | 177.2 | 0 | 109 | L650 | K648-L650 PolarHBondContact O-N 3.07Š|
| 649 | P | 65.6 | Low | 62.1 | Low | 41 Ų | 41 | 57.9 Ų | 57.9 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 144.1 | 177 | 22.9 | -33 | 0 | 0 | 0 | 110.2 | Y587 Y590 S651 | Y587-P649 HydrophobicContact CD2-CB 4.05Å; Y587-P649 HydrophobicContact CD2-CG 4.25Å; Y587-P649 HydrophobicContact CE2-CB 3.88Å; Y587-P649 HydrophobicContact CE2-CG 3.58Å; Y590-P649 HydrophobicContact CD1-CB 4.36Å; Y590-P649 HydrophobicContact CG-CB 4.17Å; P649-S651 PolarHBondContact O-N 3.26Å |
| 650 | L | 73.9 | Confident | 61.8 | Low | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 125.9 | 177.3 | -172.7 | 63.8 | 0 | 0 | 0 | 108.8 | Y583 K648 M654 F655 D703 I704 F707 | Y583-L650 VanDerWaalsContact CE2-O 3.23Å; Y583-L650 WeakPolarHBondContact CE2-O 3.42Å; Y583-L650 PolarHBondContact OH-O 3Å; K648-L650 PolarHBondContact O-N 3.07Å; L650-M654 HydrophobicContact CD1-CB 3.51Å; L650-M654 HydrophobicContact CD1-CE 3.76Å; L650-M654 HydrophobicContact CD1-CG 4.35Å; L650-M654 HydrophobicContact CD1-SD 3.97Å; L650-M654 HydrophobicContact CG-CB 4.01Å; L650-F655 HydrophobicContact CD2-CB 3.92Å; L650-F655 HydrophobicContact CD2-CD2 4.09Å; L650-F655 HydrophobicContact CG-CB 4.36Å; L650-D703 HydrophobicContact CD1-CB 3.92Å; L650-D703 HydrophobicContact CD2-CB 4.39Å; L650-I704 HydrophobicContact CD2-CG1 4.32Å; L650-F707 HydrophobicContact CB-CB 4.15Å; L650-F707 HydrophobicContact CB-CD2 4.22Å; L650-F707 HydrophobicContact CB-CG 4.25Å |
| 651 | S | 76.4 | Confident | 61.7 | Low | 50 Ų | 50 | 58.5 Ų | 58.5 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 146.7 | 177 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | P649 Q653 M654 F655 | P649-S651 PolarHBondContact O-N 3.26Å; S651-Q653 PolarHBondContact O-N 3.26Å; S651-Q653 VanDerWaalsContact O-N 3.12Å; S651-M654 PolarHBondContact O-N 3.37Å; S651-M654 WeakPolarHBondContact OG-CB 3.22Å; S651-M654 VanDerWaalsContact OG-CG 3.25Å; S651-M654 WeakPolarHBondContact OG-CG 3.05Å; S651-M654 PolarHBondContact OG-N 3.14Å; S651-F655 PolarHBondContact O-N 2.96Å |
| 652 | I | 77.8 | Confident | 61.4 | Low | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.3 | -34.9 | 177.4 | -171.8 | 164.1 | 0 | 0 | 0 | 111.6 | P541 I544 V580 Y583 F655 L656 | P541-I652 HydrophobicContact CB-CD1 3.46Å; P541-I652 VanDerWaalsContact CB-CD1 3.46Å; P541-I652 HydrophobicContact CG-CB 4.03Å; P541-I652 HydrophobicContact CG-CD1 3.56Å; P541-I652 HydrophobicContact CG-CG1 4.38Å; P541-I652 HydrophobicContact CG-CG2 3.93Å; I544-I652 HydrophobicContact CD1-CD1 4.37Å; V580-I652 HydrophobicContact CG1-CD1 4.19Å; V580-I652 HydrophobicContact CG2-CD1 4.4Å; Y583-I652 HydrophobicContact CD1-CB 4.08Å; Y583-I652 HydrophobicContact CD1-CD1 3.91Å; Y583-I652 HydrophobicContact CD1-CG1 3.97Å; Y583-I652 HydrophobicContact CE1-CB 3.64Å; Y583-I652 HydrophobicContact CE1-CD1 4.23Å; Y583-I652 HydrophobicContact CE1-CG1 4.08Å; Y583-I652 HydrophobicContact CE2-CB 4.32Å; Y583-I652 HydrophobicContact CG-CD1 4.5Å; Y583-I652 HydrophobicContact CG-CG1 4.28Å; Y583-I652 PolarHBondContact OH-N 3.33Å; Y583-I652 VanDerWaalsContact OH-N 3.09Å; I652-F655 PolarHBondContact O-N 2.9Å; I652-L656 HydrophobicContact CD1-CD1 4.03Å; I652-L656 HydrophobicContact CG1-CD1 3.63Å; I652-L656 HydrophobicContact CG1-CG 3.88Å; I652-L656 WeakPolarHBondContact O-CB 3.43Å; I652-L656 VanDerWaalsContact O-CG 3.31Å; I652-L656 WeakPolarHBondContact O-CG 3.2Å; I652-L656 PolarHBondContact O-N 3.43Å |
| 653 | Q | 74.6 | Confident | 61.1 | Low | 35 Ų | 35 | 57.6 Ų | 57.6 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.3 | 179.8 | 56.1 | 23.3 | 0 | 0 | 111.6 | L534 S535 S651 N657 | L534-Q653 PolarHBondContact O-OE1 2.82Å; S535-Q653 VanDerWaalsContact O-CD 3.24Å; S535-Q653 PolarHBondContact O-NE2 3.17Å; S535-Q653 PolarHBondContact O-OE1 2.63Å; S651-Q653 PolarHBondContact O-N 3.26Å; S651-Q653 VanDerWaalsContact O-N 3.12Å; Q653-N657 PolarHBondContact NE2-ND2 3.13Å; Q653-N657 PolarHBondContact NE2-OD1 3.38Å; Q653-N657 WeakPolarHBondContact O-CB 3.34Å; Q653-N657 PolarHBondContact O-N 3Å; Q653-N657 PolarHBondContact O-ND2 3.46Å |
| 654 | M | 73.1 | Confident | 60.9 | Low | 92 Ų | 92 | 56.5 Ų | 56.5 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.8 | -71.2 | 174.8 | 73.5 | 0 | 0 | 111.3 | L650 S651 S658 | L650-M654 HydrophobicContact CD1-CB 3.51Å; L650-M654 HydrophobicContact CD1-CE 3.76Å; L650-M654 HydrophobicContact CD1-CG 4.35Å; L650-M654 HydrophobicContact CD1-SD 3.97Å; L650-M654 HydrophobicContact CG-CB 4.01Å; S651-M654 PolarHBondContact O-N 3.37Å; S651-M654 WeakPolarHBondContact OG-CB 3.22Å; S651-M654 VanDerWaalsContact OG-CG 3.25Å; S651-M654 WeakPolarHBondContact OG-CG 3.05Å; S651-M654 PolarHBondContact OG-N 3.14Å; M654-S658 PolarHBondContact O-N 3.47Å; M654-S658 PolarHBondContact O-OG 2.8Å |
| 655 | F | 78.2 | Confident | 60.5 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -52 | 177.5 | -178.2 | -100.2 | 0 | 0 | 0 | 111.9 | L579 F582 Y583 L650 S651 I652 S658 F659 I704 F707 | L579-F655 HydrophobicContact CD2-CE1 4.3Å; L579-F655 HydrophobicContact CD2-CZ 4.47Å; F582-F655 HydrophobicContact CD1-CE1 4.37Å; F582-F655 HydrophobicContact CD1-CE2 4.43Å; F582-F655 AromaticContact CD1-CZ 3.65Å; F582-F655 HydrophobicContact CD1-CZ 3.65Å; F582-F655 HydrophobicContact CE1-CE2 4.35Å; F582-F655 AromaticContact CE1-CZ 3.95Å; F582-F655 HydrophobicContact CE1-CZ 3.95Å; Y583-F655 HydrophobicContact CD2-CB 3.82Å; Y583-F655 AromaticContact CD2-CD1 3.8Å; Y583-F655 HydrophobicContact CD2-CD1 3.8Å; Y583-F655 HydrophobicContact CD2-CD2 4.31Å; Y583-F655 HydrophobicContact CD2-CE1 4.48Å; Y583-F655 AromaticContact CD2-CG 3.71Å; Y583-F655 HydrophobicContact CD2-CG 3.71Å; Y583-F655 HydrophobicContact CE2-CB 4.05Å; Y583-F655 HydrophobicContact CE2-CG 4.4Å; Y583-F655 HydrophobicContact CG-CD1 4.2Å; L650-F655 HydrophobicContact CD2-CB 3.92Å; L650-F655 HydrophobicContact CD2-CD2 4.09Å; L650-F655 HydrophobicContact CG-CB 4.36Å; S651-F655 PolarHBondContact O-N 2.96Å; I652-F655 PolarHBondContact O-N 2.9Å; F655-S658 WeakPolarHBondContact O-CB 3.43Å; F655-S658 PolarHBondContact O-N 3.03Å; F655-S658 VanDerWaalsContact O-N 3.16Å; F655-S658 PolarHBondContact O-OG 3.27Å; F655-F659 HydrophobicContact CD1-CE2 4.22Å; F655-F659 HydrophobicContact CD2-CE2 4.18Å; F655-F659 AromaticContact CE1-CE2 3.83Å; F655-F659 HydrophobicContact CE1-CE2 3.83Å; F655-F659 AromaticContact CE2-CE2 3.8Å; F655-F659 HydrophobicContact CE2-CE2 3.8Å; F655-F659 HydrophobicContact CE2-CZ 4.14Å; F655-F659 HydrophobicContact CG-CE2 4.38Å; F655-F659 AromaticContact CZ-CE2 3.6Å; F655-F659 HydrophobicContact CZ-CE2 3.6Å; F655-F659 AromaticContact CZ-CZ 3.98Å; F655-F659 HydrophobicContact CZ-CZ 3.98Å; F655-F659 WeakPolarHBondContact O-CD2 3.49Å; F655-F659 VanDerWaalsContact O-CE2 3.32Å; F655-F659 WeakPolarHBondContact O-CE2 3.36Å; F655-I704 HydrophobicContact CD2-CG1 4.36Å; F655-F707 HydrophobicContact CD2-CD1 4.38Å; F655-F707 HydrophobicContact CE2-CD1 4.48Å |
| 656 | L | 73.8 | Confident | 59.9 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | -179.2 | -68.8 | 174.6 | 0 | 0 | 0 | 112.4 | L534 I544 L579 V580 I652 S658 F659 | L534-L656 HydrophobicContact CB-CD1 4.29Å; L534-L656 HydrophobicContact CD2-CD1 3.76Å; I544-L656 HydrophobicContact CD1-CD1 4.18Å; L579-L656 HydrophobicContact CB-CD2 4.37Å; V580-L656 HydrophobicContact CG2-CD1 4.39Å; V580-L656 HydrophobicContact CG2-CD2 4.14Å; I652-L656 HydrophobicContact CD1-CD1 4.03Å; I652-L656 HydrophobicContact CG1-CD1 3.63Å; I652-L656 HydrophobicContact CG1-CG 3.88Å; I652-L656 WeakPolarHBondContact O-CB 3.43Å; I652-L656 VanDerWaalsContact O-CG 3.31Å; I652-L656 WeakPolarHBondContact O-CG 3.2Å; I652-L656 PolarHBondContact O-N 3.43Å; L656-S658 PolarHBondContact O-N 3.48Å; L656-S658 VanDerWaalsContact O-N 3.09Å; L656-F659 PolarHBondContact O-N 3.35Å |
| 657 | N | 69.4 | Low | 59.2 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -19.3 | 175.6 | -76.2 | -18 | 0 | 0 | 0 | 113 | Q653 F659 R693 | Q653-N657 PolarHBondContact NE2-ND2 3.13Å; Q653-N657 PolarHBondContact NE2-OD1 3.38Å; Q653-N657 WeakPolarHBondContact O-CB 3.34Å; Q653-N657 PolarHBondContact O-N 3Å; Q653-N657 PolarHBondContact O-ND2 3.46Å; N657-F659 PolarHBondContact O-N 3.13Å; N657-R693 WeakPolarHBondContact O-CD 3.47Å |
| 658 | S | 68.2 | Low | 58.2 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.9 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | M654 F655 L656 I692 R693 T700 | M654-S658 PolarHBondContact O-N 3.47Å; M654-S658 PolarHBondContact O-OG 2.8Å; F655-S658 WeakPolarHBondContact O-CB 3.43Å; F655-S658 PolarHBondContact O-N 3.03Å; F655-S658 VanDerWaalsContact O-N 3.16Å; F655-S658 PolarHBondContact O-OG 3.27Å; L656-S658 PolarHBondContact O-N 3.48Å; L656-S658 VanDerWaalsContact O-N 3.09Å; S658-I692 CarbonylContact O-C 3.59Å; S658-I692 WeakPolarHBondContact O-CA 3.39Å; S658-R693 PolarHBondContact O-N 3.32Å; S658-T700 WeakPolarHBondContact OG-CG2 3.09Å |
| 659 | F | 67.9 | Low | 56.9 | Low | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.022 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.8 | -175.9 | -57 | -84.6 | 0 | 0 | 0 | 111.9 | L579 F655 L656 N657 P690 I691 I692 I704 L731 L735 | L579-F659 HydrophobicContact CD1-CB 4.46Å; L579-F659 HydrophobicContact CD1-CD2 4.49Å; L579-F659 HydrophobicContact CD1-CG 4.41Å; L579-F659 HydrophobicContact CD2-CD2 4.36Å; L579-F659 HydrophobicContact CD2-CE2 4.23Å; L579-F659 HydrophobicContact CD2-CZ 4.3Å; F655-F659 HydrophobicContact CD1-CE2 4.22Å; F655-F659 HydrophobicContact CD2-CE2 4.18Å; F655-F659 AromaticContact CE1-CE2 3.83Å; F655-F659 HydrophobicContact CE1-CE2 3.83Å; F655-F659 AromaticContact CE2-CE2 3.8Å; F655-F659 HydrophobicContact CE2-CE2 3.8Å; F655-F659 HydrophobicContact CE2-CZ 4.14Å; F655-F659 HydrophobicContact CG-CE2 4.38Å; F655-F659 AromaticContact CZ-CE2 3.6Å; F655-F659 HydrophobicContact CZ-CE2 3.6Å; F655-F659 AromaticContact CZ-CZ 3.98Å; F655-F659 HydrophobicContact CZ-CZ 3.98Å; F655-F659 WeakPolarHBondContact O-CD2 3.49Å; F655-F659 VanDerWaalsContact O-CE2 3.32Å; F655-F659 WeakPolarHBondContact O-CE2 3.36Å; L656-F659 PolarHBondContact O-N 3.35Å; N657-F659 PolarHBondContact O-N 3.13Å; F659-P690 HydrophobicContact CB-CB 4.07Å; F659-P690 HydrophobicContact CD1-CB 3.73Å; F659-P690 HydrophobicContact CD1-CG 4.27Å; F659-P690 HydrophobicContact CE1-CB 4.5Å; F659-P690 HydrophobicContact CG-CB 4.13Å; F659-I691 CarbonylContact C-O 3.51Å; F659-I692 HydrophobicContact CD1-CG1 4.12Å; F659-I692 HydrophobicContact CE1-CG1 4.16Å; F659-I704 HydrophobicContact CE2-CD1 4.49Å; F659-I704 HydrophobicContact CZ-CD1 4.25Å; F659-L731 HydrophobicContact CE1-CD2 4.01Å; F659-L731 HydrophobicContact CZ-CD2 4.28Å; F659-L735 HydrophobicContact CE1-CD2 3.63Å; F659-L735 HydrophobicContact CZ-CD2 4.37Å |
| 660 | R | 58.2 | Low | 55.3 | Low | 106 Ų | 106 | 67.3 Ų | 67.3 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.9 | 173.5 | -166.2 | -179.8 | -175.8 | -179 | 2.7 | 108.2 | E377 A662 I691 R693 | E377-R660 PolarHBondContact O-NH2 3.13Å; R660-A662 PolarHBondContact O-N 2.98Å; R660-I691 WeakPolarHBondContact CA-O 3.5Å; R660-I691 WeakPolarHBondContact CB-O 3.45Å; R660-I691 PolarHBondContact N-O 3.46Å; R660-I691 PolarHBondContact O-N 3.41Å; R660-R693 HydrophobicContact CB-CG 3.89Å |
| 661 | Y | 56.2 | Low | 53.4 | Low | 21 Ų | 21 | 74 Ų | 74 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | trans | -91.4 | 99.9 | 172.2 | -53.7 | -80.1 | 0 | 0 | 0 | 108.3 | L534 N575 V576 L579 | L534-Y661 HydrophobicContact CD1-CE2 3.52Å; N575-Y661 HydrophobicContact CB-CD1 4.38Å; N575-Y661 HydrophobicContact CB-CE1 4.11Å; V576-Y661 HydrophobicContact CG2-CE1 3.97Å; V576-Y661 HydrophobicContact CG2-CE2 4.11Å; V576-Y661 WeakPolarHBondContact CG2-OH 3.14Å; L579-Y661 HydrophobicContact CD1-CE1 3.93Å; L579-Y661 VanDerWaalsContact CD1-OH 3.25Å; L579-Y661 WeakPolarHBondContact CD1-OH 3.37Å | ||
| 662 | A | 44.4 | Very low | 51.3 | Low | 40 Ų | 40 | 76 Ų | 76 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | trans | -93.9 | 138.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R660 I691 | R660-A662 PolarHBondContact O-N 2.98Å; A662-I691 HydrophobicContact CB-CD1 3.9Å | ||
| 663 | F | 40.6 | Very low | 49.3 | Very low | 94 Ų | 94 | 80.4 Ų | 80.4 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | trans | -93 | 112.9 | 172.6 | -163.6 | -101.7 | 0 | 0 | 0 | 109.1 | I568 | I568-F663 HydrophobicContact CB-CE2 4.14Å; I568-F663 HydrophobicContact CD1-CE2 3.65Å; I568-F663 HydrophobicContact CD1-CZ 3.49Å; I568-F663 VanDerWaalsContact CD1-CZ 3.49Å; I568-F663 HydrophobicContact CG1-CE2 3.69Å; I568-F663 HydrophobicContact CG1-CZ 3.98Å; I568-F663 HydrophobicContact CG2-CD2 3.82Å; I568-F663 HydrophobicContact CG2-CE2 3.35Å; I568-F663 HydrophobicContact CG2-CZ 4.32Å | ||
| 664 | I | 39.3 | Very low | 47.3 | Very low | 80 Ų | 80 | 87.2 Ų | 87.2 | 41% | 0.41 | 47% | 0.472 | S | S | . | . | trans | -98 | 99 | 169.4 | -56.1 | 174.4 | 0 | 0 | 0 | 106.8 | N666 | I664-N666 PolarHBondContact O-N 3.07Š| ||
| 665 | S | 34.2 | Very low | 45.4 | Very low | 66 Ų | 66 | 90.3 Ų | 90.3 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | trans | -79.3 | 111.3 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | N667 | S665-N667 PolarHBondContact O-N 3.19Å; S665-N667 VanDerWaalsContact O-N 3.12Å | ||
| 666 | N | 30.8 | Very low | 43.2 | Very low | 90 Ų | 90 | 95.9 Ų | 95.9 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | trans | -75.8 | 94.5 | 169.1 | -78.2 | -11.6 | 0 | 0 | 0 | 109.8 | I664 E668 | I664-N666 PolarHBondContact O-N 3.07Å; N666-E668 PolarHBondContact O-N 2.92Å | ||
| 667 | N | 29.8 | Very low | 41.5 | Very low | 148 Ų | 148 | 101.2 Ų | 101.2 | 79% | 0.791 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 44.2 | 175 | -80.2 | -2.3 | 0 | 0 | 0 | 113.5 | S665 | S665-N667 PolarHBondContact O-N 3.19Å; S665-N667 VanDerWaalsContact O-N 3.12Å |
| 668 | E | 31.1 | Very low | 39.6 | Very low | 190 Ų | 190 | 107.2 Ų | 107.2 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 4.1 | 178.3 | -73.3 | -161.8 | 164.3 | 0 | 0 | 116.2 | N666 | N666-E668 PolarHBondContact O-N 2.92Š|
| 669 | S | 32.4 | Very low | 37.7 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -99.5 | 19.9 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 670 | E | 31.3 | Very low | 35.8 | Very low | 191 Ų | 191 | 121.9 Ų | 121.9 | 89% | 0.893 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -86.7 | -5.3 | 176.8 | -77.8 | -164.9 | 156.7 | 0 | 0 | 114.8 | ||
| 671 | N | 34.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -114.2 | 9.8 | -177.9 | -71.4 | -24.1 | 0 | 0 | 0 | 116.1 | S673 | N671-S673 PolarHBondContact O-N 3.29Š|
| 672 | A | 32.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -97 | 80.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q674 | A672-Q674 PolarHBondContact O-N 3.26Š| ||
| 673 | S | 34.1 | Very low | 32.3 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -61.7 | 126.4 | 170.5 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | N671 | N671-S673 PolarHBondContact O-N 3.29Š| ||
| 674 | Q | 33 | Very low | 31.6 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 21.1 | 106.7 | 142.9 | -63 | 178.6 | -13.6 | 0 | 0 | 116.8 | A672 | A672-Q674 PolarHBondContact O-N 3.26Š| ||
| 675 | D | 33.3 | Very low | 31.1 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | 165.7 | 99.2 | 127.3 | -84.4 | -19.2 | 0 | 0 | 0 | 110.7 | |||||
| 676 | S | 31.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 164.7 | 116.7 | 142.5 | 41.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 677 | P | 37.6 | Very low | 31.2 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -86.6 | 156 | 170.2 | 36 | -29.8 | 0 | 0 | 0 | 109.8 | ||||
| 678 | E | 30.9 | Very low | 31.8 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 81.4 | 69.3 | 166.8 | -52.2 | -178.7 | 179.5 | 0 | 0 | 117.4 | ||||
| 679 | H | 28.6 | Very low | 32.5 | Very low | 188 Ų | 188 | 137 Ų | 137 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -144.3 | 112.1 | 142.4 | -100.8 | -48.9 | 0 | 0 | 0 | 112.1 | ||
| 680 | N | 27.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | 36.7 | 98 | 159.1 | -70.9 | -16 | 0 | 0 | 0 | 119.1 | K682 | N680-K682 PolarHBondContact O-N 2.87Š| ||
| 681 | T | 28.1 | Very low | 34.6 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 94% | 0.939 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 59.2 | 164.6 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 682 | K | 30.1 | Very low | 35.5 | Very low | 201 Ų | 201 | 119 Ų | 119 | 87% | 0.874 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 1.6 | 161.5 | -104.8 | -171.7 | 177.8 | -172.8 | 0 | 113.7 | N680 | N680-K682 PolarHBondContact O-N 2.87Š|
| 683 | Y | 25.7 | Very low | 36.5 | Very low | 182 Ų | 182 | 118.4 Ų | 118.4 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -96.4 | 128.8 | 179.2 | -77.8 | -81.6 | 0 | 0 | 0 | 112.1 | ||
| 684 | V | 25.9 | Very low | 37.2 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 65% | 0.648 | 59% | 0.586 | S | S | * | * | trans | 82.6 | 69.7 | 164.4 | -144.7 | 0 | 0 | 0 | 0 | 117.2 | Q686 | V684-Q686 VanDerWaalsContact C-N 3.29Å; V684-Q686 HydrophobicContact CB-CG 4.37Å; V684-Q686 HydrophobicContact CG1-CG 3.39Å; V684-Q686 PolarHBondContact O-N 3.33Å | ||
| 685 | K | 30.1 | Very low | 37.7 | Very low | 185 Ų | 185 | 111.4 Ų | 111.4 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -63.8 | 94.6 | 146.8 | -79.5 | -174.6 | 175.9 | -174.9 | 0 | 107.5 | F687 | K685-F687 WeakPolarHBondContact O-CD2 3.07Å; K685-F687 VanDerWaalsContact O-CE2 3.29Å; K685-F687 WeakPolarHBondContact O-CE2 3.3Å; K685-F687 PolarHBondContact O-N 3.4Å | ||
| 686 | Q | 30 | Very low | 38.5 | Very low | 113 Ų | 113 | 109 Ų | 109 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | trans | -70.6 | 108.6 | 174.8 | -69.7 | 177.4 | -26.7 | 0 | 0 | 108.9 | V684 | V684-Q686 VanDerWaalsContact C-N 3.29Å; V684-Q686 HydrophobicContact CB-CG 4.37Å; V684-Q686 HydrophobicContact CG1-CG 3.39Å; V684-Q686 PolarHBondContact O-N 3.33Å | ||
| 687 | F | 36.6 | Very low | 40 | Very low | 123 Ų | 123 | 104.7 Ų | 104.7 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | trans | -70.9 | 121.7 | -172.8 | -61 | -89.5 | 0 | 0 | 0 | 112.4 | K685 L689 | K685-F687 WeakPolarHBondContact O-CD2 3.07Å; K685-F687 VanDerWaalsContact O-CE2 3.29Å; K685-F687 WeakPolarHBondContact O-CE2 3.3Å; K685-F687 PolarHBondContact O-N 3.4Å; F687-L689 HydrophobicContact CB-CD1 3.94Å; F687-L689 HydrophobicContact CD1-CD1 4.3Å; F687-L689 HydrophobicContact CG-CD1 4.41Å | ||
| 688 | H | 42.5 | Very low | 41.6 | Very low | 49 Ų | 49 | 103.7 Ų | 103.7 | 23% | 0.227 | 50% | 0.504 | C | S | . | . | trans | -108.9 | 87 | 159.7 | -70.3 | -75.2 | 0 | 0 | 0 | 107.1 | N575 | N575-H688 WeakPolarHBondContact ND2-CB 3.41Å; N575-H688 PolarHBondContact ND2-O 3.06Å | ||
| 689 | L | 45.3 | Very low | 43.5 | Very low | 39 Ų | 39 | 102.3 Ų | 102.3 | 20% | 0.204 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 143.4 | 178.5 | -80.4 | 136 | 0 | 0 | 0 | 110.4 | F687 I691 D730 D732 | F687-L689 HydrophobicContact CB-CD1 3.94Å; F687-L689 HydrophobicContact CD1-CD1 4.3Å; F687-L689 HydrophobicContact CG-CD1 4.41Å; L689-I691 PolarHBondContact O-N 2.93Å; L689-D730 WeakPolarHBondContact CD2-O 3.23Å; L689-D732 HydrophobicContact CD2-CB 4.36Å |
| 690 | P | 52.2 | Low | 45.6 | Very low | 13 Ų | 13 | 94.4 Ų | 94.4 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 123.2 | 170.7 | 28.9 | -33.1 | 0 | 0 | 0 | 110.3 | L579 F659 L731 | L579-P690 HydrophobicContact CD1-CB 3.78Å; L579-P690 HydrophobicContact CD1-CG 4.14Å; L579-P690 HydrophobicContact CD2-CB 4.45Å; L579-P690 HydrophobicContact CD2-CG 4.06Å; L579-P690 HydrophobicContact CG-CB 4.5Å; L579-P690 HydrophobicContact CG-CG 4.33Å; F659-P690 HydrophobicContact CB-CB 4.07Å; F659-P690 HydrophobicContact CD1-CB 3.73Å; F659-P690 HydrophobicContact CD1-CG 4.27Å; F659-P690 HydrophobicContact CE1-CB 4.5Å; F659-P690 HydrophobicContact CG-CB 4.13Å; P690-L731 HydrophobicContact CG-CD2 3.98Å |
| 691 | I | 55.3 | Low | 47.9 | Very low | 39 Ų | 39 | 88.2 Ų | 88.2 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.7 | -177.1 | -57.5 | 177.6 | 0 | 0 | 0 | 109.2 | F659 R660 A662 L689 L815 | F659-I691 CarbonylContact C-O 3.51Å; R660-I691 WeakPolarHBondContact CA-O 3.5Å; R660-I691 WeakPolarHBondContact CB-O 3.45Å; R660-I691 PolarHBondContact N-O 3.46Å; R660-I691 PolarHBondContact O-N 3.41Å; A662-I691 HydrophobicContact CB-CD1 3.9Å; L689-I691 PolarHBondContact O-N 2.93Å; I691-L815 HydrophobicContact CG2-CD1 4.41Å |
| 692 | I | 54 | Low | 50.4 | Low | 25 Ų | 25 | 81.2 Ų | 81.2 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.7 | 179.4 | -70.9 | -157.5 | 0 | 0 | 0 | 113.2 | S658 F659 S694 L701 I704 L735 | S658-I692 CarbonylContact O-C 3.59Å; S658-I692 WeakPolarHBondContact O-CA 3.39Å; F659-I692 HydrophobicContact CD1-CG1 4.12Å; F659-I692 HydrophobicContact CE1-CG1 4.16Å; I692-S694 PolarHBondContact O-N 3.05Å; I692-L701 HydrophobicContact CD1-CD2 3.62Å; I692-L701 HydrophobicContact CD1-CG 4.35Å; I692-I704 HydrophobicContact CD1-CD1 3.7Å; I692-L735 HydrophobicContact CD1-CD1 3.13Å; I692-L735 HydrophobicContact CD1-CD2 3.94Å; I692-L735 HydrophobicContact CD1-CG 4.14Å; I692-L735 HydrophobicContact CG1-CD1 3.72Å; I692-L735 HydrophobicContact CG1-CD2 3.94Å; I692-L735 HydrophobicContact CG1-CG 4.5Å |
| 693 | R | 53.1 | Low | 52.7 | Low | 80 Ų | 80 | 73.5 Ų | 73.5 | 30% | 0.302 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 124.5 | 172.1 | -68.6 | 176.3 | 110.8 | 154.2 | 1.6 | 110.1 | N657 S658 R660 D695 | N657-R693 WeakPolarHBondContact O-CD 3.47Å; S658-R693 PolarHBondContact O-N 3.32Å; R660-R693 HydrophobicContact CB-CG 3.89Å; R693-D695 VanDerWaalsContact C-N 3.3Å; R693-D695 VanDerWaalsContact CB-OD1 3.28Å; R693-D695 WeakPolarHBondContact CB-OD1 3.43Å; R693-D695 PolarHBondContact O-N 3.11Å |
| 694 | S | 48.8 | Very low | 55.3 | Low | 62 Ų | 62 | 65 Ų | 65 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -70 | -20.9 | -167.6 | 51 | 0 | 0 | 0 | 0 | 115.1 | I692 N696 | I692-S694 PolarHBondContact O-N 3.05Å; S694-N696 PolarHBondContact O-N 3.07Å |
| 695 | D | 44.7 | Very low | 58.1 | Low | 77 Ų | 77 | 59.9 Ų | 59.9 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -68 | -26.9 | -170.1 | 44.9 | -14 | 0 | 0 | 0 | 114 | R693 | R693-D695 VanDerWaalsContact C-N 3.3Å; R693-D695 VanDerWaalsContact CB-OD1 3.28Å; R693-D695 WeakPolarHBondContact CB-OD1 3.43Å; R693-D695 PolarHBondContact O-N 3.11Å |
| 696 | N | 49.3 | Very low | 60.6 | Low | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -131.1 | 23.1 | -178.6 | -74.5 | -34.7 | 0 | 0 | 0 | 114.4 | S694 R698 K699 T700 | S694-N696 PolarHBondContact O-N 3.07Å; N696-R698 PolarHBondContact O-N 2.87Å; N696-K699 PolarHBondContact O-N 3.25Å; N696-T700 WeakPolarHBondContact CB-OG1 3.23Å; N696-T700 VanDerWaalsContact O-CB 3.31Å; N696-T700 WeakPolarHBondContact O-CB 3.43Å; N696-T700 PolarHBondContact O-N 3.04Å; N696-T700 PolarHBondContact O-OG1 3.14Å |
| 697 | C | 63.5 | Low | 63.1 | Low | 28 Ų | 28 | 46.7 Ų | 46.7 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -47.9 | -47.2 | -163.5 | -165.4 | 0 | 0 | 0 | 0 | 114.4 | L701 | C697-L701 WeakPolarHBondContact O-CB 3.15Å; C697-L701 WeakPolarHBondContact O-CD1 3.47Å; C697-L701 WeakPolarHBondContact O-CG 3.35Å; C697-L701 PolarHBondContact O-N 2.78Å; C697-L701 WeakPolarHBondContact SG-CD1 3.47Å |
| 698 | R | 70.7 | Confident | 65.4 | Low | 95 Ų | 95 | 40.9 Ų | 40.9 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -54.5 | -174.9 | -163.7 | 175.1 | -177.7 | 166.1 | 0.2 | 113 | N696 T700 L701 T702 L742 | N696-R698 PolarHBondContact O-N 2.87Å; R698-T700 VanDerWaalsContact C-N 3.33Å; R698-T700 PolarHBondContact O-N 3.42Å; R698-L701 PolarHBondContact O-N 3.42Å; R698-T702 VanDerWaalsContact O-CG2 3.26Å; R698-T702 WeakPolarHBondContact O-CG2 3.19Å; R698-T702 PolarHBondContact O-N 2.99Å; R698-L742 HydrophobicContact CG-CD1 3.88Å; R698-L742 HydrophobicContact CG-CD2 3.67Å; R698-L742 HydrophobicContact CG-CG 4.41Å |
| 699 | K | 72.5 | Confident | 67.6 | Low | 151 Ų | 151 | 38.6 Ų | 38.6 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -64.7 | -40.5 | 179.3 | -176.7 | 173.3 | -179.9 | 170.9 | 0 | 111.3 | N696 L701 T702 D703 | N696-K699 PolarHBondContact O-N 3.25Å; K699-L701 PolarHBondContact O-N 3.46Å; K699-T702 VanDerWaalsContact CA-OG1 3.31Å; K699-T702 WeakPolarHBondContact CA-OG1 3.38Å; K699-T702 PolarHBondContact O-N 3.47Å; K699-T702 PolarHBondContact O-OG1 3.22Å; K699-D703 WeakPolarHBondContact O-CB 3.48Å; K699-D703 PolarHBondContact O-N 3.47Å |
| 700 | T | 71.2 | Confident | 69.4 | Low | 23 Ų | 23 | 37.5 Ų | 37.5 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 177 | -59.4 | 0 | 0 | 0 | 0 | 112 | S658 N696 R698 D703 I704 | S658-T700 WeakPolarHBondContact OG-CG2 3.09Å; N696-T700 WeakPolarHBondContact CB-OG1 3.23Å; N696-T700 VanDerWaalsContact O-CB 3.31Å; N696-T700 WeakPolarHBondContact O-CB 3.43Å; N696-T700 PolarHBondContact O-N 3.04Å; N696-T700 PolarHBondContact O-OG1 3.14Å; R698-T700 VanDerWaalsContact C-N 3.33Å; R698-T700 PolarHBondContact O-N 3.42Å; T700-D703 PolarHBondContact O-N 3.04Å; T700-I704 HydrophobicContact CG2-CD1 3.93Å; T700-I704 WeakPolarHBondContact O-CB 3.44Å; T700-I704 WeakPolarHBondContact O-CG1 3.44Å; T700-I704 PolarHBondContact O-N 2.77Å |
| 701 | L | 75.7 | Confident | 70.7 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 174.1 | -75 | 172.3 | 0 | 0 | 0 | 112.4 | I692 C697 R698 K699 D703 G705 L735 F738 S739 L742 | I692-L701 HydrophobicContact CD1-CD2 3.62Å; I692-L701 HydrophobicContact CD1-CG 4.35Å; C697-L701 WeakPolarHBondContact O-CB 3.15Å; C697-L701 WeakPolarHBondContact O-CD1 3.47Å; C697-L701 WeakPolarHBondContact O-CG 3.35Å; C697-L701 PolarHBondContact O-N 2.78Å; C697-L701 WeakPolarHBondContact SG-CD1 3.47Å; R698-L701 PolarHBondContact O-N 3.42Å; K699-L701 PolarHBondContact O-N 3.46Å; L701-D703 VanDerWaalsContact C-N 3.35Å; L701-G705 PolarHBondContact O-N 3.36Å; L701-L735 HydrophobicContact CD2-CD1 3.2Å; L701-F738 HydrophobicContact CD1-CB 4.21Å; L701-S739 WeakPolarHBondContact CD2-OG 3.34Å; L701-S739 WeakPolarHBondContact O-CA 3.42Å; L701-S739 WeakPolarHBondContact O-CB 3.05Å; L701-L742 HydrophobicContact CB-CD1 3.54Å; L701-L742 HydrophobicContact CD1-CD1 3.59Å; L701-L742 HydrophobicContact CG-CD1 4.22Å |
| 702 | T | 80.5 | Confident | 72 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | R698 K699 G705 S706 L742 N746 | R698-T702 VanDerWaalsContact O-CG2 3.26Å; R698-T702 WeakPolarHBondContact O-CG2 3.19Å; R698-T702 PolarHBondContact O-N 2.99Å; K699-T702 VanDerWaalsContact CA-OG1 3.31Å; K699-T702 WeakPolarHBondContact CA-OG1 3.38Å; K699-T702 PolarHBondContact O-N 3.47Å; K699-T702 PolarHBondContact O-OG1 3.22Å; T702-G705 PolarHBondContact O-N 3.13Å; T702-S706 VanDerWaalsContact O-CB 3.27Å; T702-S706 WeakPolarHBondContact O-CB 3.19Å; T702-S706 PolarHBondContact O-N 3.1Å; T702-L742 HydrophobicContact CG2-CB 3.61Å; T702-N746 WeakPolarHBondContact CB-ND2 3.42Å; T702-N746 WeakPolarHBondContact CG2-ND2 3.39Å; T702-N746 WeakPolarHBondContact CG2-OD1 3.38Å; T702-N746 PolarHBondContact OG1-ND2 3.43Å |
| 703 | D | 79.4 | Confident | 73.4 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -43.1 | -179.4 | -65 | -9.8 | 0 | 0 | 0 | 110.9 | L650 K699 T700 L701 S706 F707 | L650-D703 HydrophobicContact CD1-CB 3.92Å; L650-D703 HydrophobicContact CD2-CB 4.39Å; K699-D703 WeakPolarHBondContact O-CB 3.48Å; K699-D703 PolarHBondContact O-N 3.47Å; T700-D703 PolarHBondContact O-N 3.04Å; L701-D703 VanDerWaalsContact C-N 3.35Å; D703-S706 PolarHBondContact O-N 3.23Å; D703-F707 WeakPolarHBondContact O-CB 3.25Å; D703-F707 PolarHBondContact O-N 2.78Å |
| 704 | I | 80.5 | Confident | 74.4 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 172.1 | -70.3 | 167.5 | 0 | 0 | 0 | 110.5 | L650 F655 F659 I692 T700 S706 F707 I708 | L650-I704 HydrophobicContact CD2-CG1 4.32Å; F655-I704 HydrophobicContact CD2-CG1 4.36Å; F659-I704 HydrophobicContact CE2-CD1 4.49Å; F659-I704 HydrophobicContact CZ-CD1 4.25Å; I692-I704 HydrophobicContact CD1-CD1 3.7Å; T700-I704 HydrophobicContact CG2-CD1 3.93Å; T700-I704 WeakPolarHBondContact O-CB 3.44Å; T700-I704 WeakPolarHBondContact O-CG1 3.44Å; T700-I704 PolarHBondContact O-N 2.77Å; I704-S706 VanDerWaalsContact C-N 3.33Å; I704-S706 PolarHBondContact O-N 3.32Å; I704-F707 PolarHBondContact O-N 3.07Å; I704-I708 HydrophobicContact CG2-CD1 3.51Å; I704-I708 HydrophobicContact CG2-CG1 4.31Å; I704-I708 WeakPolarHBondContact O-CB 3.43Å; I704-I708 WeakPolarHBondContact O-CG1 3.43Å; I704-I708 PolarHBondContact O-N 3.45Å |
| 705 | G | 84.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L701 T702 F707 I708 F709 | L701-G705 PolarHBondContact O-N 3.36Å; T702-G705 PolarHBondContact O-N 3.13Å; G705-F707 PolarHBondContact O-N 2.84Å; G705-I708 PolarHBondContact O-N 2.64Å; G705-F709 WeakPolarHBondContact O-CB 3.37Å; G705-F709 WeakPolarHBondContact O-CD2 3.46Å; G705-F709 PolarHBondContact O-N 2.81Å |
| 706 | S | 83 | Confident | 76.7 | Confident | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 173.1 | -178 | 0 | 0 | 0 | 0 | 111.2 | Y590 T702 D703 I704 I708 R710 | Y590-S706 PolarHBondContact OH-O 3.27Å; T702-S706 VanDerWaalsContact O-CB 3.27Å; T702-S706 WeakPolarHBondContact O-CB 3.19Å; T702-S706 PolarHBondContact O-N 3.1Å; D703-S706 PolarHBondContact O-N 3.23Å; I704-S706 VanDerWaalsContact C-N 3.33Å; I704-S706 PolarHBondContact O-N 3.32Å; S706-I708 PolarHBondContact O-N 2.88Å; S706-R710 WeakPolarHBondContact O-CB 3.4Å; S706-R710 PolarHBondContact O-N 2.8Å; S706-R710 VanDerWaalsContact OG-CZ 3.28Å; S706-R710 PolarHBondContact OG-NH1 3.39Å |
| 707 | F | 83.4 | Confident | 78.1 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.7 | 179.3 | -110.1 | 0 | 0 | 0 | 113.7 | Y583 F586 Y590 L650 F655 D703 I704 G705 | Y583-F707 AromaticContact CD2-CE1 3.64Å; Y583-F707 HydrophobicContact CD2-CE1 3.64Å; Y583-F707 HydrophobicContact CD2-CE2 4.41Å; Y583-F707 AromaticContact CD2-CZ 3.54Å; Y583-F707 HydrophobicContact CD2-CZ 3.54Å; Y583-F707 HydrophobicContact CE2-CE1 4.06Å; Y583-F707 HydrophobicContact CE2-CE2 4.04Å; Y583-F707 AromaticContact CE2-CZ 3.61Å; Y583-F707 HydrophobicContact CE2-CZ 3.61Å; Y583-F707 HydrophobicContact CG-CE1 4.45Å; Y583-F707 HydrophobicContact CG-CZ 4.25Å; Y583-F707 WeakPolarHBondContact O-CZ 3.3Å; F586-F707 HydrophobicContact CB-CD1 4.24Å; F586-F707 HydrophobicContact CB-CE1 3.54Å; F586-F707 HydrophobicContact CB-CE2 4.21Å; F586-F707 HydrophobicContact CB-CZ 3.53Å; F586-F707 HydrophobicContact CG-CE1 4.38Å; Y590-F707 HydrophobicContact CD2-CD2 4.41Å; Y590-F707 HydrophobicContact CD2-CE2 4.3Å; Y590-F707 AromaticContact CE2-CD2 3.88Å; Y590-F707 HydrophobicContact CE2-CD2 3.88Å; Y590-F707 HydrophobicContact CE2-CE2 4.18Å; Y590-F707 WeakPolarHBondContact CE2-O 3.4Å; Y590-F707 WeakPolarHBondContact OH-CA 3.5Å; Y590-F707 PolarHBondContact OH-O 3.4Å; L650-F707 HydrophobicContact CB-CB 4.15Å; L650-F707 HydrophobicContact CB-CD2 4.22Å; L650-F707 HydrophobicContact CB-CG 4.25Å; F655-F707 HydrophobicContact CD2-CD1 4.38Å; F655-F707 HydrophobicContact CE2-CD1 4.48Å; D703-F707 WeakPolarHBondContact O-CB 3.25Å; D703-F707 PolarHBondContact O-N 2.78Å; I704-F707 PolarHBondContact O-N 3.07Å; G705-F707 PolarHBondContact O-N 2.84Å |
| 708 | I | 84.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -82 | -47.4 | -175.5 | -65.7 | 172.6 | 0 | 0 | 0 | 111.8 | F582 F586 I704 G705 S706 F722 I726 L736 | F582-I708 HydrophobicContact CE1-CD1 3.81Å; F582-I708 HydrophobicContact CE1-CG1 4.06Å; F582-I708 HydrophobicContact CZ-CD1 3.85Å; F582-I708 HydrophobicContact CZ-CG1 4.15Å; F586-I708 HydrophobicContact CE1-CG2 4.13Å; F586-I708 WeakPolarHBondContact CE1-O 3.22Å; F586-I708 HydrophobicContact CE2-CG2 4.26Å; F586-I708 HydrophobicContact CZ-CG2 3.82Å; I704-I708 HydrophobicContact CG2-CD1 3.51Å; I704-I708 HydrophobicContact CG2-CG1 4.31Å; I704-I708 WeakPolarHBondContact O-CB 3.43Å; I704-I708 WeakPolarHBondContact O-CG1 3.43Å; I704-I708 PolarHBondContact O-N 3.45Å; G705-I708 PolarHBondContact O-N 2.64Å; S706-I708 PolarHBondContact O-N 2.88Å; I708-F722 HydrophobicContact CG2-CE2 3.91Å; I708-F722 HydrophobicContact CG2-CZ 4.38Å; I708-I726 HydrophobicContact CG2-CD1 4.26Å; I708-L736 HydrophobicContact CD1-CD2 4.1Å |
| 709 | F | 87.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -99.1 | -21.9 | -165 | -56.9 | -69 | 0 | 0 | 0 | 113.9 | G705 Y712 M713 F722 L736 F740 F743 M763 I767 | G705-F709 WeakPolarHBondContact O-CB 3.37Å; G705-F709 WeakPolarHBondContact O-CD2 3.46Å; G705-F709 PolarHBondContact O-N 2.81Å; F709-Y712 PolarHBondContact O-N 3.25Å; F709-M713 WeakPolarHBondContact O-CG 3.48Å; F709-M713 PolarHBondContact O-N 3.1Å; F709-F722 HydrophobicContact CD1-CE2 4.02Å; F709-F722 AromaticContact CD1-CZ 3.85Å; F709-F722 HydrophobicContact CD1-CZ 3.85Å; F709-F722 HydrophobicContact CE1-CE2 4.18Å; F709-F722 AromaticContact CE1-CZ 3.63Å; F709-F722 HydrophobicContact CE1-CZ 3.63Å; F709-L736 HydrophobicContact CZ-CB 4.16Å; F709-L736 HydrophobicContact CZ-CD2 4.07Å; F709-L736 WeakPolarHBondContact CZ-O 3.16Å; F709-F740 HydrophobicContact CB-CD2 3.85Å; F709-F740 HydrophobicContact CB-CE2 4.24Å; F709-F740 AromaticContact CD1-CD2 3.92Å; F709-F740 HydrophobicContact CD1-CD2 3.92Å; F709-F740 HydrophobicContact CD2-CB 3.79Å; F709-F740 AromaticContact CD2-CD2 3.73Å; F709-F740 HydrophobicContact CD2-CD2 3.73Å; F709-F740 HydrophobicContact CD2-CG 4.25Å; F709-F740 HydrophobicContact CE1-CB 4.3Å; F709-F740 HydrophobicContact CE1-CD2 4.37Å; F709-F740 HydrophobicContact CE2-CB 3.51Å; F709-F740 HydrophobicContact CE2-CD2 4.28Å; F709-F740 HydrophobicContact CE2-CG 4.35Å; F709-F740 HydrophobicContact CG-CB 4.35Å; F709-F740 AromaticContact CG-CD2 3.56Å; F709-F740 HydrophobicContact CG-CD2 3.56Å; F709-F740 HydrophobicContact CG-CE2 4.34Å; F709-F740 HydrophobicContact CG-CG 4.37Å; F709-F740 HydrophobicContact CZ-CB 3.78Å; F709-F743 HydrophobicContact CB-CD1 3.96Å; F709-F743 HydrophobicContact CB-CE1 4.03Å; F709-M763 HydrophobicContact CD1-CE 3.24Å; F709-M763 HydrophobicContact CE1-CE 3.25Å; F709-M763 HydrophobicContact CG-CE 4.46Å; F709-M763 HydrophobicContact CZ-CE 4.49Å; F709-I767 HydrophobicContact CE1-CD1 4.35Å; F709-I767 HydrophobicContact CZ-CD1 4.36Å |
| 710 | R | 82.8 | Confident | 79.9 | Confident | 16 Ų | 16 | 24.2 Ų | 24.2 | 6% | 0.06 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | -179.7 | -174.4 | 174.4 | -95.9 | 171.9 | -7.6 | 113.4 | S706 Y712 M713 N714 F743 E747 | S706-R710 WeakPolarHBondContact O-CB 3.4Å; S706-R710 PolarHBondContact O-N 2.8Å; S706-R710 VanDerWaalsContact OG-CZ 3.28Å; S706-R710 PolarHBondContact OG-NH1 3.39Å; R710-Y712 PolarHBondContact O-N 2.84Å; R710-M713 PolarHBondContact O-N 2.8Å; R710-N714 WeakPolarHBondContact CG-ND2 3.37Å; R710-N714 VanDerWaalsContact O-CB 3.31Å; R710-N714 WeakPolarHBondContact O-CB 3.24Å; R710-N714 VanDerWaalsContact O-CG 3.32Å; R710-N714 PolarHBondContact O-N 2.91Å; R710-F743 HydrophobicContact CB-CE2 4.16Å; R710-F743 HydrophobicContact CB-CZ 3.78Å; R710-F743 HydrophobicContact CG-CZ 4.27Å; R710-E747 IonicContact NH2-OE1 3.03Å; R710-E747 PolarHBondContact NH2-OE1 3.24Å; R710-E747 IonicContact NH2-OE2 3.37Å; R710-E747 PolarHBondContact NH2-OE2 3.06Å |
| 711 | P | 81.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 175.4 | -25 | 35.3 | 0 | 0 | 0 | 113.1 | L589 Y590 G715 L716 Q717 | L589-P711 HydrophobicContact CB-CB 4.47Å; L589-P711 HydrophobicContact CD1-CB 4.2Å; Y590-P711 HydrophobicContact CD2-CG 4.49Å; Y590-P711 HydrophobicContact CE2-CG 3.79Å; P711-G715 PolarHBondContact O-N 2.76Å; P711-L716 HydrophobicContact CB-CB 4.47Å; P711-L716 WeakPolarHBondContact O-CB 3.08Å; P711-L716 PolarHBondContact O-N 2.83Å; P711-Q717 HydrophobicContact CB-CB 4.38Å; P711-Q717 PolarHBondContact O-N 3.24Å |
| 712 | Y | 82.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 176.2 | 173.8 | -102.5 | 0 | 0 | 0 | 111.8 | F709 R710 N714 G715 F719 R759 M763 | F709-Y712 PolarHBondContact O-N 3.25Å; R710-Y712 PolarHBondContact O-N 2.84Å; Y712-N714 VanDerWaalsContact C-N 3.28Å; Y712-N714 PolarHBondContact O-N 3.01Å; Y712-G715 PolarHBondContact O-N 2.82Å; Y712-F719 HydrophobicContact CE2-CB 3.84Å; Y712-F719 AromaticContact CE2-CD2 3.8Å; Y712-F719 HydrophobicContact CE2-CD2 3.8Å; Y712-F719 HydrophobicContact CE2-CG 4.33Å; Y712-F719 AromaticContact CZ-CD2 3.83Å; Y712-R759 HydrophobicContact CE1-CB 3.84Å; Y712-R759 HydrophobicContact CE1-CG 4.14Å; Y712-R759 PolarHBondContact O-NH1 3.39Å; Y712-M763 HydrophobicContact CD1-CG 3.78Å; Y712-M763 HydrophobicContact CD1-SD 3.74Å; Y712-M763 HydrophobicContact CE1-CG 3.28Å; Y712-M763 HydrophobicContact CE1-SD 3.55Å; Y712-M763 VanDerWaalsContact CE1-SD 3.55Å; Y712-M763 HydrophobicContact CG-SD 4.44Å |
| 713 | M | 81.6 | Confident | 80.9 | Confident | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.044 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | -179.9 | -70.5 | -50 | -66.3 | 0 | 0 | 112.6 | F709 R710 G715 F740 F743 M744 L756 R759 I760 | F709-M713 WeakPolarHBondContact O-CG 3.48Å; F709-M713 PolarHBondContact O-N 3.1Å; R710-M713 PolarHBondContact O-N 2.8Å; M713-G715 VanDerWaalsContact C-N 3.29Å; M713-G715 PolarHBondContact O-N 2.92Å; M713-F740 HydrophobicContact CG-CE2 4.38Å; M713-F740 HydrophobicContact SD-CE2 4.08Å; M713-F740 HydrophobicContact SD-CZ 4.32Å; M713-F743 HydrophobicContact CB-CE1 4.48Å; M713-F743 HydrophobicContact CG-CE1 3.94Å; M713-M744 HydrophobicContact CE-CE 4.14Å; M713-M744 HydrophobicContact CE-SD 3.9Å; M713-M744 HydrophobicContact CG-SD 4.23Å; M713-M744 HydrophobicContact SD-SD 4.43Å; M713-L756 HydrophobicContact CE-CD2 3.41Å; M713-L756 VanDerWaalsContact CE-CD2 3.41Å; M713-R759 HydrophobicContact CE-CB 4.15Å; M713-R759 PolarHBondContact O-NH1 3.13Å; M713-R759 HydrophobicContact SD-CB 3.98Å; M713-I760 HydrophobicContact CE-CD1 3.88Å; M713-I760 HydrophobicContact CE-CG1 3.46Å; M713-I760 VanDerWaalsContact CE-CG1 3.46Å; M713-I760 HydrophobicContact SD-CG1 4.27Å |
| 714 | N | 74 | Confident | 81 | Confident | 91 Ų | 91 | 27.9 Ų | 27.9 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.9 | 175.5 | -69.6 | -14.8 | 0 | 0 | 0 | 113.9 | R710 Y712 L716 | R710-N714 WeakPolarHBondContact CG-ND2 3.37Å; R710-N714 VanDerWaalsContact O-CB 3.31Å; R710-N714 WeakPolarHBondContact O-CB 3.24Å; R710-N714 VanDerWaalsContact O-CG 3.32Å; R710-N714 PolarHBondContact O-N 2.91Å; Y712-N714 VanDerWaalsContact C-N 3.28Å; Y712-N714 PolarHBondContact O-N 3.01Å; N714-L716 HydrophobicContact CB-CD1 4.39Å; N714-L716 HydrophobicContact CB-CG 4.29Å |
| 715 | G | 71.5 | Confident | 81.1 | Confident | 37 Ų | 37 | 29 Ų | 29 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 18.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P711 Y712 M713 Q717 | P711-G715 PolarHBondContact O-N 2.76Å; Y712-G715 PolarHBondContact O-N 2.82Å; M713-G715 VanDerWaalsContact C-N 3.29Å; M713-G715 PolarHBondContact O-N 2.92Å; G715-Q717 VanDerWaalsContact C-N 3.3Å |
| 716 | L | 71.8 | Confident | 81 | Confident | 61 Ų | 61 | 29 Ų | 29 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -78.7 | -19.6 | 174.3 | -60.3 | 172.2 | 0 | 0 | 0 | 112 | T593 V596 P711 N714 | T593-L716 HydrophobicContact CG2-CD1 3.82Å; V596-L716 HydrophobicContact CB-CD2 3.76Å; V596-L716 HydrophobicContact CG1-CD2 3.74Å; V596-L716 HydrophobicContact CG2-CD2 3.78Å; P711-L716 HydrophobicContact CB-CB 4.47Å; P711-L716 WeakPolarHBondContact O-CB 3.08Å; P711-L716 PolarHBondContact O-N 2.83Å; N714-L716 HydrophobicContact CB-CD1 4.39Å; N714-L716 HydrophobicContact CB-CG 4.29Å |
| 717 | Q | 77.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -126.7 | 134.8 | -177.4 | -170.9 | 178.4 | 23.3 | 0 | 0 | 109.8 | L589 P711 G715 S721 F722 | L589-Q717 HydrophobicContact CD1-CG 4.35Å; P711-Q717 HydrophobicContact CB-CB 4.38Å; P711-Q717 PolarHBondContact O-N 3.24Å; G715-Q717 VanDerWaalsContact C-N 3.3Å; Q717-S721 WeakPolarHBondContact CG-OG 3.41Å; Q717-S721 PolarHBondContact NE2-OG 2.79Å; Q717-F722 HydrophobicContact CG-CB 4.25Å; Q717-F722 VanDerWaalsContact NE2-CA 3.34Å |
| 718 | N | 80.5 | Confident | 80.3 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | trans | -77.7 | 151.3 | 171.4 | 64.3 | 6.8 | 0 | 0 | 0 | 110.9 | T720 S721 F722 | N718-T720 PolarHBondContact ND2-OG1 2.87Å; N718-T720 PolarHBondContact O-N 3.19Å; N718-T720 PolarHBondContact OD1-OG1 2.86Å; N718-S721 PolarHBondContact O-N 3.3Å; N718-S721 PolarHBondContact O-OG 3.09Å; N718-S721 VanDerWaalsContact O-OG 3.05Å; N718-S721 WeakPolarHBondContact OD1-CA 3.37Å; N718-S721 WeakPolarHBondContact OD1-CB 3.36Å; N718-S721 PolarHBondContact OD1-N 3.45Å; N718-S721 PolarHBondContact OD1-OG 2.84Å; N718-F722 PolarHBondContact O-N 3.44Å; N718-F722 VanDerWaalsContact O-N 3.13Å | ||
| 719 | F | 82.9 | Confident | 79.7 | Confident | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.9 | -36.6 | -179.2 | -174.5 | -104.3 | 0 | 0 | 0 | 113.1 | Y712 F722 Q723 M763 Y766 T882 | Y712-F719 HydrophobicContact CE2-CB 3.84Å; Y712-F719 AromaticContact CE2-CD2 3.8Å; Y712-F719 HydrophobicContact CE2-CD2 3.8Å; Y712-F719 HydrophobicContact CE2-CG 4.33Å; Y712-F719 AromaticContact CZ-CD2 3.83Å; F719-F722 WeakPolarHBondContact O-CB 3.15Å; F719-F722 PolarHBondContact O-N 3.21Å; F719-Q723 WeakPolarHBondContact O-CB 3.33Å; F719-Q723 PolarHBondContact O-N 3.1Å; F719-M763 HydrophobicContact CD2-SD 4.39Å; F719-M763 HydrophobicContact CE2-SD 4.06Å; F719-Y766 HydrophobicContact CE2-CG 4.5Å; F719-Y766 HydrophobicContact CZ-CD2 4.01Å; F719-Y766 AromaticContact CZ-CG 3.94Å; F719-Y766 HydrophobicContact CZ-CG 3.94Å; F719-T882 WeakPolarHBondContact CE1-O 3.3Å; F719-T882 HydrophobicContact CZ-CG2 4.4Å |
| 720 | T | 81.9 | Confident | 78.7 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.4 | -42.6 | -179.4 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | N718 Q723 T724 | N718-T720 PolarHBondContact ND2-OG1 2.87Å; N718-T720 PolarHBondContact O-N 3.19Å; N718-T720 PolarHBondContact OD1-OG1 2.86Å; T720-Q723 PolarHBondContact O-N 3.42Å; T720-T724 WeakPolarHBondContact O-CG2 3.41Å; T720-T724 PolarHBondContact O-N 3.09Å |
| 721 | S | 80 | Confident | 78.2 | Confident | 38 Ų | 38 | 42 Ų | 42 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.1 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | Q717 N718 Q723 T724 I725 | Q717-S721 WeakPolarHBondContact CG-OG 3.41Å; Q717-S721 PolarHBondContact NE2-OG 2.79Å; N718-S721 PolarHBondContact O-N 3.3Å; N718-S721 PolarHBondContact O-OG 3.09Å; N718-S721 VanDerWaalsContact O-OG 3.05Å; N718-S721 WeakPolarHBondContact OD1-CA 3.37Å; N718-S721 WeakPolarHBondContact OD1-CB 3.36Å; N718-S721 PolarHBondContact OD1-N 3.45Å; N718-S721 PolarHBondContact OD1-OG 2.84Å; S721-Q723 VanDerWaalsContact C-N 3.35Å; S721-Q723 PolarHBondContact O-N 3.24Å; S721-T724 WeakPolarHBondContact CA-OG1 3.1Å; S721-T724 PolarHBondContact O-N 3.06Å; S721-T724 PolarHBondContact O-OG1 2.98Å; S721-I725 WeakPolarHBondContact O-CG1 3.29Å; S721-I725 PolarHBondContact O-N 2.72Å; S721-I725 VanDerWaalsContact O-N 3.11Å |
| 722 | F | 85.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | 174.7 | 176.4 | -93.8 | 0 | 0 | 0 | 111 | F586 I708 F709 Q717 N718 F719 T724 I725 I726 M763 | F586-F722 HydrophobicContact CE1-CD2 4.16Å; F586-F722 HydrophobicContact CE1-CE2 4.19Å; F586-F722 HydrophobicContact CZ-CD2 4.15Å; F586-F722 AromaticContact CZ-CE2 3.98Å; F586-F722 HydrophobicContact CZ-CE2 3.98Å; I708-F722 HydrophobicContact CG2-CE2 3.91Å; I708-F722 HydrophobicContact CG2-CZ 4.38Å; F709-F722 HydrophobicContact CD1-CE2 4.02Å; F709-F722 AromaticContact CD1-CZ 3.85Å; F709-F722 HydrophobicContact CD1-CZ 3.85Å; F709-F722 HydrophobicContact CE1-CE2 4.18Å; F709-F722 AromaticContact CE1-CZ 3.63Å; F709-F722 HydrophobicContact CE1-CZ 3.63Å; Q717-F722 HydrophobicContact CG-CB 4.25Å; Q717-F722 VanDerWaalsContact NE2-CA 3.34Å; N718-F722 PolarHBondContact O-N 3.44Å; N718-F722 VanDerWaalsContact O-N 3.13Å; F719-F722 WeakPolarHBondContact O-CB 3.15Å; F719-F722 PolarHBondContact O-N 3.21Å; F722-T724 PolarHBondContact O-N 3.09Å; F722-I725 PolarHBondContact O-N 3.45Å; F722-I726 HydrophobicContact CD1-CG1 4.17Å; F722-I726 HydrophobicContact CD2-CG1 4.38Å; F722-I726 HydrophobicContact CE1-CD1 4.45Å; F722-I726 HydrophobicContact CE1-CG1 3.54Å; F722-I726 HydrophobicContact CE2-CD1 3.98Å; F722-I726 HydrophobicContact CE2-CG1 3.81Å; F722-I726 HydrophobicContact CZ-CD1 3.73Å; F722-I726 HydrophobicContact CZ-CG1 3.3Å; F722-I726 WeakPolarHBondContact O-CG1 3.45Å; F722-I726 PolarHBondContact O-N 3.49Å; F722-M763 HydrophobicContact CD1-CE 4.29Å; F722-M763 HydrophobicContact CD1-SD 4.04Å; F722-M763 HydrophobicContact CE1-CE 3.43Å; F722-M763 VanDerWaalsContact CE1-CE 3.43Å; F722-M763 HydrophobicContact CE1-SD 3.72Å; F722-M763 HydrophobicContact CE2-CE 4.34Å; F722-M763 HydrophobicContact CZ-CE 3.48Å; F722-M763 VanDerWaalsContact CZ-CE 3.48Å; F722-M763 HydrophobicContact CZ-SD 4.28Å |
| 723 | Q | 83.6 | Confident | 77.7 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 177 | -179.4 | 176.8 | -0.5 | 0 | 0 | 111.8 | F719 T720 S721 I725 I726 E727 Y766 | F719-Q723 WeakPolarHBondContact O-CB 3.33Å; F719-Q723 PolarHBondContact O-N 3.1Å; T720-Q723 PolarHBondContact O-N 3.42Å; S721-Q723 VanDerWaalsContact C-N 3.35Å; S721-Q723 PolarHBondContact O-N 3.24Å; Q723-I725 VanDerWaalsContact C-N 3.32Å; Q723-I725 PolarHBondContact O-N 2.82Å; Q723-I726 PolarHBondContact O-N 2.79Å; Q723-E727 HydrophobicContact CG-CG 4.36Å; Q723-E727 WeakPolarHBondContact CG-OE1 3.06Å; Q723-E727 PolarHBondContact NE2-OE1 2.82Å; Q723-E727 WeakPolarHBondContact O-CB 3.42Å; Q723-E727 WeakPolarHBondContact O-CG 3.17Å; Q723-E727 PolarHBondContact O-N 3.47Å; Q723-Y766 HydrophobicContact CG-CE2 3.84Å |
| 724 | T | 81.5 | Confident | 77.5 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 179.6 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | T720 S721 F722 S728 | T720-T724 WeakPolarHBondContact O-CG2 3.41Å; T720-T724 PolarHBondContact O-N 3.09Å; S721-T724 WeakPolarHBondContact CA-OG1 3.1Å; S721-T724 PolarHBondContact O-N 3.06Å; S721-T724 PolarHBondContact O-OG1 2.98Å; F722-T724 PolarHBondContact O-N 3.09Å; T724-S728 WeakPolarHBondContact O-CB 3.42Å; T724-S728 PolarHBondContact O-N 3.22Å |
| 725 | I | 82.3 | Confident | 77.7 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -43.3 | 178.6 | -63.8 | 171.3 | 0 | 0 | 0 | 110.2 | F582 N585 F586 S721 F722 Q723 S728 S729 | F582-I725 HydrophobicContact CD2-CG2 4.35Å; F582-I725 HydrophobicContact CE2-CG2 4.3Å; N585-I725 HydrophobicContact CB-CD1 4.42Å; N585-I725 HydrophobicContact CB-CG2 4.21Å; F586-I725 HydrophobicContact CD2-CG2 4.16Å; F586-I725 HydrophobicContact CE2-CG2 3.46Å; F586-I725 VanDerWaalsContact CE2-CG2 3.46Å; F586-I725 HydrophobicContact CZ-CB 4.49Å; F586-I725 HydrophobicContact CZ-CG2 3.87Å; S721-I725 WeakPolarHBondContact O-CG1 3.29Å; S721-I725 PolarHBondContact O-N 2.72Å; S721-I725 VanDerWaalsContact O-N 3.11Å; F722-I725 PolarHBondContact O-N 3.45Å; Q723-I725 VanDerWaalsContact C-N 3.32Å; Q723-I725 PolarHBondContact O-N 2.82Å; I725-S728 PolarHBondContact O-N 3.36Å; I725-S728 PolarHBondContact O-OG 2.87Å; I725-S729 PolarHBondContact O-N 3.35Å |
| 726 | I | 82.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 177.6 | -62.5 | -54.9 | 0 | 0 | 0 | 112.2 | F582 F586 I708 F722 Q723 S728 S729 L736 Y766 | F582-I726 HydrophobicContact CE2-CD1 3.93Å; F582-I726 HydrophobicContact CZ-CD1 4.09Å; F586-I726 HydrophobicContact CE2-CD1 4.35Å; F586-I726 HydrophobicContact CZ-CD1 4.13Å; I708-I726 HydrophobicContact CG2-CD1 4.26Å; F722-I726 HydrophobicContact CD1-CG1 4.17Å; F722-I726 HydrophobicContact CD2-CG1 4.38Å; F722-I726 HydrophobicContact CE1-CD1 4.45Å; F722-I726 HydrophobicContact CE1-CG1 3.54Å; F722-I726 HydrophobicContact CE2-CD1 3.98Å; F722-I726 HydrophobicContact CE2-CG1 3.81Å; F722-I726 HydrophobicContact CZ-CD1 3.73Å; F722-I726 HydrophobicContact CZ-CG1 3.3Å; F722-I726 WeakPolarHBondContact O-CG1 3.45Å; F722-I726 PolarHBondContact O-N 3.49Å; Q723-I726 PolarHBondContact O-N 2.79Å; I726-S728 VanDerWaalsContact C-N 3.32Å; I726-S729 PolarHBondContact O-N 3.15Å; I726-S729 VanDerWaalsContact O-N 3.14Å; I726-S729 VanDerWaalsContact O-O 3.12Å; I726-S729 PolarHBondContact O-OG 3.26Å; I726-L736 HydrophobicContact CD1-CD1 4.39Å; I726-L736 HydrophobicContact CD1-CD2 4.33Å; I726-L736 HydrophobicContact CG2-CD1 3.64Å; I726-Y766 HydrophobicContact CB-CE1 4.46Å; I726-Y766 HydrophobicContact CG2-CE1 4.06Å |
| 727 | E | 79.7 | Confident | 79.1 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 174.3 | -75.7 | 173.8 | -172.3 | 0 | 0 | 113 | Q723 S729 Y766 R770 | Q723-E727 HydrophobicContact CG-CG 4.36Å; Q723-E727 WeakPolarHBondContact CG-OE1 3.06Å; Q723-E727 PolarHBondContact NE2-OE1 2.82Å; Q723-E727 WeakPolarHBondContact O-CB 3.42Å; Q723-E727 WeakPolarHBondContact O-CG 3.17Å; Q723-E727 PolarHBondContact O-N 3.47Å; E727-S729 PolarHBondContact O-N 2.97Å; E727-Y766 WeakPolarHBondContact CG-OH 3.37Å; E727-Y766 PolarHBondContact OE1-OH 3.42Å; E727-R770 VanDerWaalsContact CG-NH1 3.3Å |
| 728 | S | 71.8 | Confident | 79.5 | Confident | 81 Ų | 81 | 36.5 Ų | 36.5 | 57% | 0.566 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.4 | 171.8 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | T724 I725 I726 | T724-S728 WeakPolarHBondContact O-CB 3.42Å; T724-S728 PolarHBondContact O-N 3.22Å; I725-S728 PolarHBondContact O-N 3.36Å; I725-S728 PolarHBondContact O-OG 2.87Å; I726-S728 VanDerWaalsContact C-N 3.32Å |
| 729 | S | 71.4 | Confident | 79.8 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -97.2 | 132.3 | -177.9 | 79.9 | 0 | 0 | 0 | 0 | 112.1 | I725 I726 E727 L731 | I725-S729 PolarHBondContact O-N 3.35Å; I726-S729 PolarHBondContact O-N 3.15Å; I726-S729 VanDerWaalsContact O-N 3.14Å; I726-S729 VanDerWaalsContact O-O 3.12Å; I726-S729 PolarHBondContact O-OG 3.26Å; E727-S729 PolarHBondContact O-N 2.97Å; S729-L731 PolarHBondContact O-N 2.8Å; S729-L731 VanDerWaalsContact O-N 3.13Å |
| 730 | D | 66.9 | Low | 80.1 | Confident | 114 Ų | 114 | 31.5 Ų | 31.5 | 61% | 0.61 | 18% | 0.18 | S | C | * | . | trans | -83.1 | 41 | 170.6 | -76.7 | -21.1 | 0 | 0 | 0 | 110.9 | L689 | L689-D730 WeakPolarHBondContact CD2-O 3.23Š| ||
| 731 | L | 71.5 | Confident | 80.5 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -85 | 141.7 | 175.8 | -70.8 | 176.9 | 0 | 0 | 0 | 111 | L579 F582 F659 P690 S729 P733 L736 | L579-L731 HydrophobicContact CD2-CD2 3.95Å; F582-L731 HydrophobicContact CD1-CD1 4.16Å; F582-L731 HydrophobicContact CD2-CD1 4.35Å; F582-L731 HydrophobicContact CE1-CD1 3.61Å; F582-L731 HydrophobicContact CE2-CD1 3.78Å; F582-L731 HydrophobicContact CG-CD1 4.49Å; F582-L731 HydrophobicContact CZ-CD1 3.37Å; F659-L731 HydrophobicContact CE1-CD2 4.01Å; F659-L731 HydrophobicContact CZ-CD2 4.28Å; P690-L731 HydrophobicContact CG-CD2 3.98Å; S729-L731 PolarHBondContact O-N 2.8Å; S729-L731 VanDerWaalsContact O-N 3.13Å; L731-P733 WeakPolarHBondContact O-CD 3.4Å; L731-L736 HydrophobicContact CD1-CD2 4.21Å | ||
| 732 | D | 73.9 | Confident | 80.8 | Confident | 32 Ų | 32 | 25.8 Ų | 25.8 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | trans | -60.6 | 121.9 | 173.8 | -174.7 | -21.5 | 0 | 0 | 0 | 109.8 | L689 K734 L735 L736 | L689-D732 HydrophobicContact CD2-CB 4.36Å; D732-K734 PolarHBondContact O-N 2.93Å; D732-K734 WeakPolarHBondContact OD1-CB 3.37Å; D732-K734 PolarHBondContact OD1-N 2.54Å; D732-L735 HydrophobicContact CB-CB 4.17Å; D732-L735 VanDerWaalsContact O-CB 3.27Å; D732-L735 WeakPolarHBondContact O-CB 3.26Å; D732-L735 PolarHBondContact O-N 3.23Å; D732-L736 PolarHBondContact O-N 3.45Å | ||
| 733 | P | 79.2 | Confident | 80.9 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.9 | -32.4 | 176.4 | -28.1 | 37.4 | 0 | 0 | 0 | 114 | L731 L735 L736 L737 I767 R770 I771 E774 | L731-P733 WeakPolarHBondContact O-CD 3.4Å; P733-L735 VanDerWaalsContact C-N 3.28Å; P733-L735 PolarHBondContact O-N 2.96Å; P733-L736 PolarHBondContact O-N 2.72Å; P733-L737 PolarHBondContact O-N 3.28Å; P733-I767 WeakPolarHBondContact O-CG2 3.48Å; P733-R770 HydrophobicContact CB-CB 3.96Å; P733-R770 HydrophobicContact CG-CB 4.01Å; P733-I771 HydrophobicContact CB-CD1 4.49Å; P733-I771 HydrophobicContact CB-CG1 3.54Å; P733-E774 WeakPolarHBondContact CD-OE2 3.48Å; P733-E774 WeakPolarHBondContact CG-OE2 3.45Å |
| 734 | K | 78.5 | Confident | 81 | Confident | 22 Ų | 22 | 25.6 Ų | 25.6 | 10% | 0.096 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 175.7 | -68.1 | 177.9 | 177.5 | -177.9 | 0 | 112.1 | D732 L736 L737 F738 I771 F814 T833 | D732-K734 PolarHBondContact O-N 2.93Å; D732-K734 WeakPolarHBondContact OD1-CB 3.37Å; D732-K734 PolarHBondContact OD1-N 2.54Å; K734-L736 VanDerWaalsContact C-N 3.34Å; K734-L737 WeakPolarHBondContact O-CB 3.48Å; K734-L737 PolarHBondContact O-N 3.09Å; K734-F738 HydrophobicContact CB-CE2 4.4Å; K734-F738 VanDerWaalsContact O-CD2 3.3Å; K734-F738 WeakPolarHBondContact O-CD2 3.42Å; K734-F738 WeakPolarHBondContact O-CG 3.3Å; K734-F738 PolarHBondContact O-N 2.99Å; K734-F738 VanDerWaalsContact O-N 3.08Å; K734-I771 HydrophobicContact CG-CD1 4.18Å; K734-I771 HydrophobicContact CG-CG1 4.29Å; K734-F814 HydrophobicContact CD-CE1 4.41Å; K734-T833 HydrophobicContact CD-CG2 4.25Å; K734-T833 HydrophobicContact CG-CG2 4.3Å |
| 735 | L | 78.4 | Confident | 81.2 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 11% | 0.105 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.2 | 170.6 | 61.5 | 0 | 0 | 0 | 110.7 | F659 I692 L701 D732 P733 L737 F738 S739 | F659-L735 HydrophobicContact CE1-CD2 3.63Å; F659-L735 HydrophobicContact CZ-CD2 4.37Å; I692-L735 HydrophobicContact CD1-CD1 3.13Å; I692-L735 HydrophobicContact CD1-CD2 3.94Å; I692-L735 HydrophobicContact CD1-CG 4.14Å; I692-L735 HydrophobicContact CG1-CD1 3.72Å; I692-L735 HydrophobicContact CG1-CD2 3.94Å; I692-L735 HydrophobicContact CG1-CG 4.5Å; L701-L735 HydrophobicContact CD2-CD1 3.2Å; D732-L735 HydrophobicContact CB-CB 4.17Å; D732-L735 VanDerWaalsContact O-CB 3.27Å; D732-L735 WeakPolarHBondContact O-CB 3.26Å; D732-L735 PolarHBondContact O-N 3.23Å; P733-L735 VanDerWaalsContact C-N 3.28Å; P733-L735 PolarHBondContact O-N 2.96Å; L735-L737 VanDerWaalsContact C-N 3.3Å; L735-L737 PolarHBondContact O-N 2.85Å; L735-F738 PolarHBondContact O-N 2.71Å; L735-S739 WeakPolarHBondContact O-CB 3.5Å; L735-S739 PolarHBondContact O-N 3.38Å; L735-S739 PolarHBondContact O-OG 3.27Å |
| 736 | L | 84.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 175.6 | -67 | 173.3 | 0 | 0 | 0 | 111.1 | I708 F709 I726 L731 D732 P733 K734 F738 S739 F740 I767 | I708-L736 HydrophobicContact CD1-CD2 4.1Å; F709-L736 HydrophobicContact CZ-CB 4.16Å; F709-L736 HydrophobicContact CZ-CD2 4.07Å; F709-L736 WeakPolarHBondContact CZ-O 3.16Å; I726-L736 HydrophobicContact CD1-CD1 4.39Å; I726-L736 HydrophobicContact CD1-CD2 4.33Å; I726-L736 HydrophobicContact CG2-CD1 3.64Å; L731-L736 HydrophobicContact CD1-CD2 4.21Å; D732-L736 PolarHBondContact O-N 3.45Å; P733-L736 PolarHBondContact O-N 2.72Å; K734-L736 VanDerWaalsContact C-N 3.34Å; L736-F738 PolarHBondContact O-N 3.43Å; L736-S739 PolarHBondContact O-N 2.99Å; L736-F740 VanDerWaalsContact O-CB 3.26Å; L736-F740 WeakPolarHBondContact O-CB 3.31Å; L736-F740 PolarHBondContact O-N 3.34Å; L736-I767 HydrophobicContact CB-CD1 4.32Å; L736-I767 HydrophobicContact CB-CG2 4.48Å |
| 737 | L | 87 | Confident | 80.6 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 177.5 | -171.9 | 63.6 | 0 | 0 | 0 | 112.5 | P733 K734 L735 T741 Y764 I767 I768 I771 I837 | P733-L737 PolarHBondContact O-N 3.28Å; K734-L737 WeakPolarHBondContact O-CB 3.48Å; K734-L737 PolarHBondContact O-N 3.09Å; L735-L737 VanDerWaalsContact C-N 3.3Å; L735-L737 PolarHBondContact O-N 2.85Å; L737-T741 WeakPolarHBondContact O-CB 3.49Å; L737-T741 PolarHBondContact O-N 3.06Å; L737-T741 PolarHBondContact O-OG1 2.91Å; L737-Y764 HydrophobicContact CD1-CD1 3.46Å; L737-Y764 VanDerWaalsContact CD1-CD1 3.46Å; L737-Y764 HydrophobicContact CD1-CE1 3.56Å; L737-I767 HydrophobicContact CB-CG2 3.63Å; L737-I767 HydrophobicContact CD1-CB 4.36Å; L737-I767 HydrophobicContact CD1-CG2 3.94Å; L737-I767 HydrophobicContact CG-CG2 4.33Å; L737-I768 HydrophobicContact CD1-CG1 4.49Å; L737-I771 HydrophobicContact CB-CD1 4.34Å; L737-I771 HydrophobicContact CD2-CD1 3.67Å; L737-I837 HydrophobicContact CD1-CD1 4.21Å; L737-I837 HydrophobicContact CD2-CD1 3.79Å; L737-I837 HydrophobicContact CG-CD1 3.94Å |
| 738 | F | 87.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.022 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.5 | -39.4 | -178.4 | -60.7 | -31 | 0 | 0 | 0 | 112.2 | L701 K734 L735 L736 F740 T741 L742 F811 T833 Q836 I837 Y840 | L701-F738 HydrophobicContact CD1-CB 4.21Å; K734-F738 HydrophobicContact CB-CE2 4.4Å; K734-F738 VanDerWaalsContact O-CD2 3.3Å; K734-F738 WeakPolarHBondContact O-CD2 3.42Å; K734-F738 WeakPolarHBondContact O-CG 3.3Å; K734-F738 PolarHBondContact O-N 2.99Å; K734-F738 VanDerWaalsContact O-N 3.08Å; L735-F738 PolarHBondContact O-N 2.71Å; L736-F738 PolarHBondContact O-N 3.43Å; F738-F740 VanDerWaalsContact C-N 3.35Å; F738-T741 PolarHBondContact O-N 3.45Å; F738-L742 WeakPolarHBondContact O-CB 3.19Å; F738-L742 WeakPolarHBondContact O-CG 3.44Å; F738-L742 PolarHBondContact O-N 3.2Å; F738-F811 HydrophobicContact CE2-CE2 4.44Å; F738-T833 HydrophobicContact CZ-CG2 4.47Å; F738-Q836 HydrophobicContact CD1-CG 4.36Å; F738-Q836 HydrophobicContact CE1-CB 3.85Å; F738-Q836 HydrophobicContact CE1-CG 3.88Å; F738-Q836 HydrophobicContact CE2-CG 4.48Å; F738-Q836 HydrophobicContact CZ-CB 3.99Å; F738-Q836 HydrophobicContact CZ-CG 3.94Å; F738-I837 HydrophobicContact CD1-CG1 4.41Å; F738-I837 HydrophobicContact CE1-CG1 4.3Å; F738-Y840 HydrophobicContact CB-CE2 4.04Å; F738-Y840 AromaticContact CD1-CE2 3.94Å; F738-Y840 HydrophobicContact CD1-CE2 3.94Å; F738-Y840 HydrophobicContact CG-CE2 4.11Å |
| 739 | S | 85.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 111 | L701 L735 L736 F743 | L701-S739 WeakPolarHBondContact CD2-OG 3.34Å; L701-S739 WeakPolarHBondContact O-CA 3.42Å; L701-S739 WeakPolarHBondContact O-CB 3.05Å; L735-S739 WeakPolarHBondContact O-CB 3.5Å; L735-S739 PolarHBondContact O-N 3.38Å; L735-S739 PolarHBondContact O-OG 3.27Å; L736-S739 PolarHBondContact O-N 2.99Å; S739-F743 VanDerWaalsContact O-CB 3.29Å; S739-F743 WeakPolarHBondContact O-CB 3.19Å; S739-F743 PolarHBondContact O-N 2.78Å |
| 740 | F | 90.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 177.1 | -178.9 | -121.7 | 0 | 0 | 0 | 111.9 | F709 M713 L736 F738 L742 F743 M744 I760 M763 Y764 I767 | F709-F740 HydrophobicContact CB-CD2 3.85Å; F709-F740 HydrophobicContact CB-CE2 4.24Å; F709-F740 AromaticContact CD1-CD2 3.92Å; F709-F740 HydrophobicContact CD1-CD2 3.92Å; F709-F740 HydrophobicContact CD2-CB 3.79Å; F709-F740 AromaticContact CD2-CD2 3.73Å; F709-F740 HydrophobicContact CD2-CD2 3.73Å; F709-F740 HydrophobicContact CD2-CG 4.25Å; F709-F740 HydrophobicContact CE1-CB 4.3Å; F709-F740 HydrophobicContact CE1-CD2 4.37Å; F709-F740 HydrophobicContact CE2-CB 3.51Å; F709-F740 HydrophobicContact CE2-CD2 4.28Å; F709-F740 HydrophobicContact CE2-CG 4.35Å; F709-F740 HydrophobicContact CG-CB 4.35Å; F709-F740 AromaticContact CG-CD2 3.56Å; F709-F740 HydrophobicContact CG-CD2 3.56Å; F709-F740 HydrophobicContact CG-CE2 4.34Å; F709-F740 HydrophobicContact CG-CG 4.37Å; F709-F740 HydrophobicContact CZ-CB 3.78Å; M713-F740 HydrophobicContact CG-CE2 4.38Å; M713-F740 HydrophobicContact SD-CE2 4.08Å; M713-F740 HydrophobicContact SD-CZ 4.32Å; L736-F740 VanDerWaalsContact O-CB 3.26Å; L736-F740 WeakPolarHBondContact O-CB 3.31Å; L736-F740 PolarHBondContact O-N 3.34Å; F738-F740 VanDerWaalsContact C-N 3.35Å; F740-L742 VanDerWaalsContact C-N 3.34Å; F740-L742 PolarHBondContact O-N 2.85Å; F740-F743 HydrophobicContact CD2-CD1 4.43Å; F740-F743 PolarHBondContact O-N 3Å; F740-M744 HydrophobicContact CD2-CG 4.14Å; F740-M744 HydrophobicContact CE1-CG 4.32Å; F740-M744 HydrophobicContact CE2-CG 3.73Å; F740-M744 HydrophobicContact CE2-SD 3.95Å; F740-M744 HydrophobicContact CZ-CG 3.83Å; F740-M744 HydrophobicContact CZ-SD 4.25Å; F740-M744 WeakPolarHBondContact O-CG 3.42Å; F740-M744 PolarHBondContact O-N 3.04Å; F740-I760 HydrophobicContact CE1-CG2 4.09Å; F740-I760 HydrophobicContact CZ-CB 4.29Å; F740-I760 HydrophobicContact CZ-CG1 3.99Å; F740-I760 HydrophobicContact CZ-CG2 4.18Å; F740-M763 HydrophobicContact CD1-CB 4.37Å; F740-M763 HydrophobicContact CE1-CB 3.75Å; F740-M763 HydrophobicContact CE2-CB 4.31Å; F740-M763 HydrophobicContact CE2-CG 4.45Å; F740-M763 HydrophobicContact CZ-CB 3.73Å; F740-M763 HydrophobicContact CZ-CG 4.2Å; F740-Y764 HydrophobicContact CD1-CD1 4.43Å; F740-Y764 HydrophobicContact CD1-CD2 4.28Å; F740-Y764 HydrophobicContact CD1-CE1 4.07Å; F740-Y764 AromaticContact CD1-CE2 3.92Å; F740-Y764 HydrophobicContact CD1-CE2 3.92Å; F740-Y764 AromaticContact CD1-CZ 3.79Å; F740-Y764 AromaticContact CE1-CD2 3.73Å; F740-Y764 HydrophobicContact CE1-CD2 3.73Å; F740-Y764 HydrophobicContact CE1-CE1 4.46Å; F740-Y764 AromaticContact CE1-CE2 3.54Å; F740-Y764 HydrophobicContact CE1-CE2 3.54Å; F740-Y764 HydrophobicContact CE1-CG 4.28Å; F740-Y764 AromaticContact CE1-CZ 3.92Å; F740-I767 HydrophobicContact CB-CD1 4.33Å |
| 741 | T | 89.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | -180 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L737 F738 M744 L745 Y764 I837 Y840 I853 | L737-T741 WeakPolarHBondContact O-CB 3.49Å; L737-T741 PolarHBondContact O-N 3.06Å; L737-T741 PolarHBondContact O-OG1 2.91Å; F738-T741 PolarHBondContact O-N 3.45Å; T741-M744 PolarHBondContact O-N 3.33Å; T741-L745 HydrophobicContact CG2-CD1 4.03Å; T741-L745 VanDerWaalsContact O-CG 3.27Å; T741-L745 WeakPolarHBondContact O-CG 3.44Å; T741-L745 PolarHBondContact O-N 3.38Å; T741-Y764 WeakPolarHBondContact CA-OH 3.32Å; T741-Y764 WeakPolarHBondContact CB-OH 3.38Å; T741-Y764 PolarHBondContact OG1-OH 3.41Å; T741-I837 HydrophobicContact CG2-CG2 3.96Å; T741-Y840 HydrophobicContact CG2-CD2 4.22Å; T741-I853 HydrophobicContact CG2-CD1 4.33Å; T741-I853 HydrophobicContact CG2-CG2 4.4Å |
| 742 | L | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -178.7 | -75.8 | 173.4 | 0 | 0 | 0 | 112.6 | R698 L701 T702 F738 F740 L745 N746 Y840 | R698-L742 HydrophobicContact CG-CD1 3.88Å; R698-L742 HydrophobicContact CG-CD2 3.67Å; R698-L742 HydrophobicContact CG-CG 4.41Å; L701-L742 HydrophobicContact CB-CD1 3.54Å; L701-L742 HydrophobicContact CD1-CD1 3.59Å; L701-L742 HydrophobicContact CG-CD1 4.22Å; T702-L742 HydrophobicContact CG2-CB 3.61Å; F738-L742 WeakPolarHBondContact O-CB 3.19Å; F738-L742 WeakPolarHBondContact O-CG 3.44Å; F738-L742 PolarHBondContact O-N 3.2Å; F740-L742 VanDerWaalsContact C-N 3.34Å; F740-L742 PolarHBondContact O-N 2.85Å; L742-L745 PolarHBondContact O-N 3.5Å; L742-N746 PolarHBondContact O-N 3.31Å; L742-N746 PolarHBondContact O-OD1 2.94Å; L742-Y840 HydrophobicContact CD1-CE1 4.49Å; L742-Y840 HydrophobicContact CD1-CE2 4.14Å; L742-Y840 HydrophobicContact CD2-CD1 3.94Å; L742-Y840 HydrophobicContact CD2-CD2 4.04Å; L742-Y840 HydrophobicContact CD2-CE1 4.33Å; L742-Y840 HydrophobicContact CD2-CE2 4.41Å; L742-Y840 HydrophobicContact CD2-CG 3.79Å; L742-Y840 HydrophobicContact CG-CD2 4Å; L742-Y840 HydrophobicContact CG-CE2 4.08Å; L742-Y840 HydrophobicContact CG-CG 4.28Å |
| 743 | F | 86.5 | Confident | 80.6 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 7% | 0.066 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 171.7 | 162.3 | -116.3 | 0 | 0 | 0 | 111.6 | F709 R710 M713 S739 F740 L745 N746 | F709-F743 HydrophobicContact CB-CD1 3.96Å; F709-F743 HydrophobicContact CB-CE1 4.03Å; R710-F743 HydrophobicContact CB-CE2 4.16Å; R710-F743 HydrophobicContact CB-CZ 3.78Å; R710-F743 HydrophobicContact CG-CZ 4.27Å; M713-F743 HydrophobicContact CB-CE1 4.48Å; M713-F743 HydrophobicContact CG-CE1 3.94Å; S739-F743 VanDerWaalsContact O-CB 3.29Å; S739-F743 WeakPolarHBondContact O-CB 3.19Å; S739-F743 PolarHBondContact O-N 2.78Å; F740-F743 HydrophobicContact CD2-CD1 4.43Å; F740-F743 PolarHBondContact O-N 3Å; F743-L745 VanDerWaalsContact C-N 3.28Å; F743-L745 PolarHBondContact O-N 3.41Å; F743-N746 PolarHBondContact O-N 2.97Å |
| 744 | M | 86.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 179.5 | -69.9 | -54.4 | -47.5 | 0 | 0 | 112.6 | M713 F740 T741 N746 N749 I760 S849 I853 | M713-M744 HydrophobicContact CE-CE 4.14Å; M713-M744 HydrophobicContact CE-SD 3.9Å; M713-M744 HydrophobicContact CG-SD 4.23Å; M713-M744 HydrophobicContact SD-SD 4.43Å; F740-M744 HydrophobicContact CD2-CG 4.14Å; F740-M744 HydrophobicContact CE1-CG 4.32Å; F740-M744 HydrophobicContact CE2-CG 3.73Å; F740-M744 HydrophobicContact CE2-SD 3.95Å; F740-M744 HydrophobicContact CZ-CG 3.83Å; F740-M744 HydrophobicContact CZ-SD 4.25Å; F740-M744 WeakPolarHBondContact O-CG 3.42Å; F740-M744 PolarHBondContact O-N 3.04Å; T741-M744 PolarHBondContact O-N 3.33Å; M744-N746 VanDerWaalsContact C-N 3.31Å; M744-N746 PolarHBondContact O-N 3.25Å; M744-N749 WeakPolarHBondContact CE-ND2 3.36Å; M744-N749 PolarHBondContact O-ND2 3.15Å; M744-I760 HydrophobicContact CE-CD1 3.4Å; M744-I760 HydrophobicContact CE-CG1 4.02Å; M744-I760 HydrophobicContact SD-CD1 4.3Å; M744-I760 HydrophobicContact SD-CG1 4.27Å; M744-S849 WeakPolarHBondContact O-CB 3.35Å; M744-S849 PolarHBondContact O-OG 2.93Å; M744-I853 HydrophobicContact CB-CD1 3.57Å; M744-I853 HydrophobicContact CB-CG1 4.21Å |
| 745 | L | 86.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.9 | -12.8 | 178.4 | -71.9 | 174.2 | 0 | 0 | 0 | 114.6 | T741 L742 F743 Y840 S844 H846 A850 I853 | T741-L745 HydrophobicContact CG2-CD1 4.03Å; T741-L745 VanDerWaalsContact O-CG 3.27Å; T741-L745 WeakPolarHBondContact O-CG 3.44Å; T741-L745 PolarHBondContact O-N 3.38Å; L742-L745 PolarHBondContact O-N 3.5Å; F743-L745 VanDerWaalsContact C-N 3.28Å; F743-L745 PolarHBondContact O-N 3.41Å; L745-Y840 WeakPolarHBondContact CD1-O 3.32Å; L745-S844 PolarHBondContact O-OG 3.38Å; L745-H846 WeakPolarHBondContact O-CB 3.47Å; L745-H846 PolarHBondContact O-CD2 3.14Å; L745-A850 VanDerWaalsContact CD2-CA 3.5Å; L745-A850 HydrophobicContact CD2-CB 3.86Å; L745-I853 HydrophobicContact CD1-CD1 4.49Å; L745-I853 HydrophobicContact CD2-CD1 3.56Å; L745-I853 HydrophobicContact CG-CD1 3.56Å |
| 746 | N | 79.5 | Confident | 80.4 | Confident | 75 Ų | 75 | 21.7 Ų | 21.7 | 40% | 0.401 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.3 | -175.2 | -91.5 | 14.7 | 0 | 0 | 0 | 114.5 | T702 L742 F743 M744 H846 | T702-N746 WeakPolarHBondContact CB-ND2 3.42Å; T702-N746 WeakPolarHBondContact CG2-ND2 3.39Å; T702-N746 WeakPolarHBondContact CG2-OD1 3.38Å; T702-N746 PolarHBondContact OG1-ND2 3.43Å; L742-N746 PolarHBondContact O-N 3.31Å; L742-N746 PolarHBondContact O-OD1 2.94Å; F743-N746 PolarHBondContact O-N 2.97Å; M744-N746 VanDerWaalsContact C-N 3.31Å; M744-N746 PolarHBondContact O-N 3.25Å; N746-H846 PolarHBondContact O-NE2 2.76Å |
| 747 | E | 70.6 | Confident | 80.4 | Confident | 55 Ų | 55 | 21.3 Ų | 21.3 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -136.8 | 145.5 | 179.6 | -66.3 | -177.8 | 163.9 | 0 | 0 | 110.2 | R710 N749 S849 | R710-E747 IonicContact NH2-OE1 3.03Å; R710-E747 PolarHBondContact NH2-OE1 3.24Å; R710-E747 IonicContact NH2-OE2 3.37Å; R710-E747 PolarHBondContact NH2-OE2 3.06Å; E747-N749 PolarHBondContact O-ND2 3.1Å; E747-N749 VanDerWaalsContact O-ND2 3.13Å; E747-S849 WeakPolarHBondContact O-CB 3.4Å; E747-S849 PolarHBondContact O-OG 3.45Å |
| 748 | D | 72 | Confident | 80.3 | Confident | 44 Ų | 44 | 21.7 Ų | 21.7 | 24% | 0.235 | 11% | 0.112 | C | C | . | . | trans | -78.4 | 123.9 | 172.9 | -77 | -60.6 | 0 | 0 | 0 | 110.6 | Y750 H846 S848 | D748-Y750 HydrophobicContact CB-CD1 3.97Å; D748-Y750 HydrophobicContact CB-CE1 4.17Å; D748-H846 IonicContact OD1-ND1 3.86Å; D748-H846 IonicContact OD2-CE1 3.33Å; D748-H846 IonicContact OD2-CG 2.67Å; D748-H846 IonicContact OD2-ND1 3.68Å; D748-H846 PolarHBondContact OD2-ND1 2.9Å; D748-S848 WeakPolarHBondContact CA-OG 3.22Å; D748-S848 WeakPolarHBondContact CB-OG 3.29Å; D748-S848 PolarHBondContact OD1-OG 3.34Å | ||
| 749 | N | 72.8 | Confident | 80.2 | Confident | 31 Ų | 31 | 23.1 Ų | 23.1 | 17% | 0.166 | 12% | 0.117 | C | C | . | . | trans | -113.8 | 43.3 | -165.3 | -83.3 | -59.2 | 0 | 0 | 0 | 112.6 | M744 E747 L756 S848 | M744-N749 WeakPolarHBondContact CE-ND2 3.36Å; M744-N749 PolarHBondContact O-ND2 3.15Å; E747-N749 PolarHBondContact O-ND2 3.1Å; E747-N749 VanDerWaalsContact O-ND2 3.13Å; N749-L756 HydrophobicContact CB-CD1 4.01Å; N749-S848 PolarHBondContact N-OG 3Å | ||
| 750 | Y | 72.5 | Confident | 80.3 | Confident | 10 Ų | 10 | 23.1 Ų | 23.1 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | trans | -81.7 | -23.8 | -167.1 | 56.1 | -100.2 | 0 | 0 | 0 | 115.4 | C635 L639 P640 S641 D748 | C635-Y750 HydrophobicContact CB-CG 4.15Å; L639-Y750 HydrophobicContact CB-CD1 4.17Å; L639-Y750 HydrophobicContact CB-CE1 3.49Å; L639-Y750 VanDerWaalsContact CB-CE1 3.49Å; L639-Y750 HydrophobicContact CB-CE2 4.4Å; L639-Y750 HydrophobicContact CD1-CD1 3.63Å; L639-Y750 HydrophobicContact CD1-CE1 3.77Å; L639-Y750 HydrophobicContact CD1-CG 4.37Å; L639-Y750 HydrophobicContact CG-CE1 4.26Å; L639-Y750 PolarHBondContact O-OH 3.42Å; P640-Y750 PolarHBondContact O-OH 3.26Å; S641-Y750 VanDerWaalsContact CA-OH 3.3Å; S641-Y750 WeakPolarHBondContact CA-OH 3.33Å; S641-Y750 PolarHBondContact N-OH 3.19Å; D748-Y750 HydrophobicContact CB-CD1 3.97Å; D748-Y750 HydrophobicContact CB-CE1 4.17Å | ||
| 751 | L | 67.7 | Low | 80.2 | Confident | 104 Ų | 104 | 23.2 Ų | 23.2 | 55% | 0.545 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -26.1 | -170.1 | -71.7 | 171.8 | 0 | 0 | 0 | 115.3 | ||
| 752 | N | 71.7 | Confident | 80.1 | Confident | 43 Ų | 43 | 23.5 Ų | 23.5 | 23% | 0.23 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 40.2 | -166.8 | -68.8 | -49.1 | 0 | 0 | 0 | 112.3 | L600 I755 L756 | L600-N752 WeakPolarHBondContact CD2-OD1 3.31Å; N752-I755 PolarHBondContact O-N 3.2Å; N752-L756 HydrophobicContact CB-CD1 3.76Å; N752-L756 HydrophobicContact CB-CG 3.98Å; N752-L756 VanDerWaalsContact O-CB 3.32Å; N752-L756 WeakPolarHBondContact O-CB 3.38Å; N752-L756 WeakPolarHBondContact O-CG 3.47Å; N752-L756 PolarHBondContact O-N 3.4Å |
| 753 | L | 79.8 | Confident | 80.1 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -49.9 | -51.1 | -173.6 | -178.8 | 67.3 | 0 | 0 | 0 | 113.5 | L629 Y632 I755 L756 I757 L852 | L629-L753 HydrophobicContact CD2-CD2 4.17Å; Y632-L753 HydrophobicContact CD1-CB 3.9Å; Y632-L753 HydrophobicContact CD1-CD1 4.01Å; Y632-L753 HydrophobicContact CD1-CD2 4.15Å; Y632-L753 HydrophobicContact CD1-CG 4.24Å; Y632-L753 HydrophobicContact CD2-CD2 3.86Å; Y632-L753 HydrophobicContact CE1-CD1 3.84Å; Y632-L753 HydrophobicContact CE2-CD1 4.37Å; Y632-L753 HydrophobicContact CE2-CD2 4.31Å; Y632-L753 HydrophobicContact CG-CB 4.22Å; Y632-L753 HydrophobicContact CG-CD1 4.41Å; Y632-L753 HydrophobicContact CG-CD2 3.77Å; Y632-L753 HydrophobicContact CG-CG 4.35Å; L753-I755 VanDerWaalsContact C-N 3.32Å; L753-I755 PolarHBondContact O-N 3.26Å; L753-L756 PolarHBondContact O-N 3.3Å; L753-I757 HydrophobicContact CD1-CB 4.27Å; L753-I757 HydrophobicContact CD1-CD1 4.13Å; L753-I757 VanDerWaalsContact O-CB 3.23Å; L753-I757 WeakPolarHBondContact O-CB 3.34Å; L753-I757 WeakPolarHBondContact O-CG2 3.33Å; L753-I757 PolarHBondContact O-N 3.27Å; L753-L852 HydrophobicContact CD1-CD1 3.47Å; L753-L852 VanDerWaalsContact CD1-CD1 3.47Å; L753-L852 HydrophobicContact CD1-CG 3.93Å |
| 754 | P | 75.1 | Confident | 80.4 | Confident | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.071 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | -174.3 | -20.7 | 31.4 | 0 | 0 | 0 | 113.9 | F602 I614 L629 | F602-P754 HydrophobicContact CE1-CB 4.39Å; F602-P754 HydrophobicContact CE1-CG 4.04Å; F602-P754 HydrophobicContact CZ-CB 4.07Å; F602-P754 HydrophobicContact CZ-CG 3.85Å; I614-P754 HydrophobicContact CD1-CB 4.1Å; I614-P754 HydrophobicContact CD1-CG 4.05Å; L629-P754 HydrophobicContact CD2-CG 4.02Å |
| 755 | I | 75.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.138 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -80.3 | -42.8 | -179.4 | -65.2 | 166.5 | 0 | 0 | 0 | 110.2 | L600 F602 N752 L753 R759 I889 | L600-I755 HydrophobicContact CD2-CD1 3.55Å; F602-I755 HydrophobicContact CE2-CD1 3.64Å; F602-I755 HydrophobicContact CE2-CG1 4.24Å; F602-I755 HydrophobicContact CZ-CD1 3.71Å; F602-I755 HydrophobicContact CZ-CG1 3.9Å; N752-I755 PolarHBondContact O-N 3.2Å; L753-I755 VanDerWaalsContact C-N 3.32Å; L753-I755 PolarHBondContact O-N 3.26Å; I755-R759 WeakPolarHBondContact O-CG 3.47Å; I755-R759 PolarHBondContact O-N 3.39Å; I755-I889 HydrophobicContact CD1-CD1 4.1Å |
| 756 | L | 81 | Confident | 80.5 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 9% | 0.089 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | -178.9 | -72.7 | 170.1 | 0 | 0 | 0 | 111 | M713 N749 N752 L753 D758 R759 I760 | M713-L756 HydrophobicContact CE-CD2 3.41Å; M713-L756 VanDerWaalsContact CE-CD2 3.41Å; N749-L756 HydrophobicContact CB-CD1 4.01Å; N752-L756 HydrophobicContact CB-CD1 3.76Å; N752-L756 HydrophobicContact CB-CG 3.98Å; N752-L756 VanDerWaalsContact O-CB 3.32Å; N752-L756 WeakPolarHBondContact O-CB 3.38Å; N752-L756 WeakPolarHBondContact O-CG 3.47Å; N752-L756 PolarHBondContact O-N 3.4Å; L753-L756 PolarHBondContact O-N 3.3Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.01Å; L756-R759 PolarHBondContact O-N 3.13Å; L756-I760 HydrophobicContact CB-CD1 4.13Å; L756-I760 VanDerWaalsContact O-CB 3.32Å; L756-I760 WeakPolarHBondContact O-CB 3.25Å; L756-I760 WeakPolarHBondContact O-CD1 3.33Å; L756-I760 WeakPolarHBondContact O-CG1 3.38Å; L756-I760 PolarHBondContact O-N 3.5Å |
| 757 | I | 85 | Confident | 80.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | -177.6 | -155.7 | 168.4 | 0 | 0 | 0 | 111.8 | L617 L618 L753 I760 H761 L852 V856 | L617-I757 HydrophobicContact CD2-CG1 4.49Å; L617-I757 HydrophobicContact CD2-CG2 3.81Å; L618-I757 HydrophobicContact CD1-CD1 3.74Å; L618-I757 HydrophobicContact CD2-CD1 3.67Å; L618-I757 HydrophobicContact CD2-CG1 4.32Å; L618-I757 HydrophobicContact CG-CD1 3.95Å; L753-I757 HydrophobicContact CD1-CB 4.27Å; L753-I757 HydrophobicContact CD1-CD1 4.13Å; L753-I757 VanDerWaalsContact O-CB 3.23Å; L753-I757 WeakPolarHBondContact O-CB 3.34Å; L753-I757 WeakPolarHBondContact O-CG2 3.33Å; L753-I757 PolarHBondContact O-N 3.27Å; I757-I760 PolarHBondContact O-N 3.01Å; I757-H761 VanDerWaalsContact O-CB 3.24Å; I757-H761 WeakPolarHBondContact O-CB 3.4Å; I757-H761 PolarHBondContact O-N 3.16Å; I757-L852 HydrophobicContact CG1-CD2 4.29Å; I757-V856 HydrophobicContact CG1-CG2 3.78Å |
| 758 | D | 83.5 | Confident | 81.5 | Confident | 9 Ų | 9 | 16.8 Ų | 16.8 | 5% | 0.048 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 175.1 | -172 | 31 | 0 | 0 | 0 | 110.6 | F613 L756 I760 H761 H762 F887 | F613-D758 HydrophobicContact CE1-CB 4.2Å; F613-D758 HydrophobicContact CZ-CB 4.01Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.01Å; D758-I760 PolarHBondContact O-N 3.4Å; D758-H761 PolarHBondContact O-N 3.37Å; D758-H762 PolarHBondContact O-N 3.38Å; D758-H762 PolarHBondContact O-ND1 3.46Å; D758-H762 IonicContact OD1-CE1 3.39Å; D758-H762 PolarHBondContact OD1-CE1 3.08Å; D758-H762 IonicContact OD1-ND1 2.69Å; D758-H762 PolarHBondContact OD1-ND1 3.47Å; D758-H762 VanDerWaalsContact OD1-ND1 3.09Å; D758-H762 IonicContact OD2-CE1 3.31Å; D758-F887 PolarHBondContact OD2-N 3.05Å |
| 759 | R | 85.8 | Confident | 82.1 | Confident | 36 Ų | 36 | 16 Ų | 16 | 14% | 0.136 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 178 | -74.3 | -176.3 | 171.5 | 173.9 | -3.1 | 113.1 | Y712 M713 I755 L756 H762 M763 E886 | Y712-R759 HydrophobicContact CE1-CB 3.84Å; Y712-R759 HydrophobicContact CE1-CG 4.14Å; Y712-R759 PolarHBondContact O-NH1 3.39Å; M713-R759 HydrophobicContact CE-CB 4.15Å; M713-R759 PolarHBondContact O-NH1 3.13Å; M713-R759 HydrophobicContact SD-CB 3.98Å; I755-R759 WeakPolarHBondContact O-CG 3.47Å; I755-R759 PolarHBondContact O-N 3.39Å; L756-R759 PolarHBondContact O-N 3.13Å; R759-H762 PolarHBondContact O-N 3.28Å; R759-M763 WeakPolarHBondContact O-CB 3.47Å; R759-M763 WeakPolarHBondContact O-CG 3.48Å; R759-M763 PolarHBondContact O-N 3.33Å; R759-E886 IonicContact NE-OE2 3.61Å; R759-E886 IonicContact NH2-OE2 3.85Å |
| 760 | I | 88.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 179.6 | -68.3 | 159.4 | 0 | 0 | 0 | 110.2 | M713 F740 M744 L756 I757 D758 M763 Y764 L852 V856 | M713-I760 HydrophobicContact CE-CD1 3.88Å; M713-I760 HydrophobicContact CE-CG1 3.46Å; M713-I760 VanDerWaalsContact CE-CG1 3.46Å; M713-I760 HydrophobicContact SD-CG1 4.27Å; F740-I760 HydrophobicContact CE1-CG2 4.09Å; F740-I760 HydrophobicContact CZ-CB 4.29Å; F740-I760 HydrophobicContact CZ-CG1 3.99Å; F740-I760 HydrophobicContact CZ-CG2 4.18Å; M744-I760 HydrophobicContact CE-CD1 3.4Å; M744-I760 HydrophobicContact CE-CG1 4.02Å; M744-I760 HydrophobicContact SD-CD1 4.3Å; M744-I760 HydrophobicContact SD-CG1 4.27Å; L756-I760 HydrophobicContact CB-CD1 4.13Å; L756-I760 VanDerWaalsContact O-CB 3.32Å; L756-I760 WeakPolarHBondContact O-CB 3.25Å; L756-I760 WeakPolarHBondContact O-CD1 3.33Å; L756-I760 WeakPolarHBondContact O-CG1 3.38Å; L756-I760 PolarHBondContact O-N 3.5Å; I757-I760 PolarHBondContact O-N 3.01Å; D758-I760 PolarHBondContact O-N 3.4Å; I760-M763 PolarHBondContact O-N 2.88Å; I760-Y764 HydrophobicContact CG2-CD2 3.57Å; I760-Y764 HydrophobicContact CG2-CE2 3.53Å; I760-Y764 VanDerWaalsContact O-CD2 3.28Å; I760-Y764 WeakPolarHBondContact O-CD2 3.38Å; I760-Y764 PolarHBondContact O-N 3.38Å; I760-L852 HydrophobicContact CB-CD2 4.42Å; I760-L852 HydrophobicContact CD1-CD1 4.3Å; I760-L852 HydrophobicContact CD1-CD2 3.36Å; I760-L852 HydrophobicContact CD1-CG 4.5Å; I760-L852 HydrophobicContact CG1-CD2 4.46Å; I760-L852 HydrophobicContact CG2-CD2 4.22Å; I760-V856 HydrophobicContact CG2-CB 4.35Å; I760-V856 HydrophobicContact CG2-CG1 4.22Å; I760-V856 HydrophobicContact CG2-CG2 4.02Å |
| 761 | H | 87.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -50.6 | 174.4 | -175.5 | -81.6 | 0 | 0 | 0 | 111.3 | L617 I757 D758 M763 Y764 C765 V856 Q863 Y881 | L617-H761 HydrophobicContact CD1-CB 4.31Å; I757-H761 VanDerWaalsContact O-CB 3.24Å; I757-H761 WeakPolarHBondContact O-CB 3.4Å; I757-H761 PolarHBondContact O-N 3.16Å; D758-H761 PolarHBondContact O-N 3.37Å; H761-M763 VanDerWaalsContact C-N 3.3Å; H761-M763 PolarHBondContact O-N 3.21Å; H761-Y764 PolarHBondContact O-N 2.79Å; H761-C765 PolarHBondContact CE1-SG 3.42Å; H761-C765 WeakPolarHBondContact O-CB 3.47Å; H761-C765 PolarHBondContact O-N 3.45Å; H761-C765 PolarHBondContact O-SG 3.26Å; H761-C765 VanDerWaalsContact O-SG 3.37Å; H761-V856 HydrophobicContact CB-CG1 4.17Å; H761-Q863 PolarHBondContact NE2-NE2 2.94Å; H761-Y881 AromaticContact CE1-CD1 3.76Å |
| 762 | H | 85.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.028 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54 | -45.4 | 175.9 | -78.8 | 98.8 | 0 | 0 | 0 | 112.4 | D758 R759 C765 Y766 Y881 | D758-H762 PolarHBondContact O-N 3.38Å; D758-H762 PolarHBondContact O-ND1 3.46Å; D758-H762 IonicContact OD1-CE1 3.39Å; D758-H762 PolarHBondContact OD1-CE1 3.08Å; D758-H762 IonicContact OD1-ND1 2.69Å; D758-H762 PolarHBondContact OD1-ND1 3.47Å; D758-H762 VanDerWaalsContact OD1-ND1 3.09Å; D758-H762 IonicContact OD2-CE1 3.31Å; R759-H762 PolarHBondContact O-N 3.28Å; H762-C765 PolarHBondContact O-N 3.08Å; H762-Y766 WeakPolarHBondContact O-CB 3.34Å; H762-Y766 PolarHBondContact O-N 3.25Å; H762-Y881 PolarHBondContact CD2-O 3.4Å; H762-Y881 PolarHBondContact NE2-O 3.19Å |
| 763 | M | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | -179.7 | -72.1 | -63.3 | -61.5 | 0 | 0 | 112.9 | F709 Y712 F719 F722 F740 R759 I760 H761 Y766 I767 | F709-M763 HydrophobicContact CD1-CE 3.24Å; F709-M763 HydrophobicContact CE1-CE 3.25Å; F709-M763 HydrophobicContact CG-CE 4.46Å; F709-M763 HydrophobicContact CZ-CE 4.49Å; Y712-M763 HydrophobicContact CD1-CG 3.78Å; Y712-M763 HydrophobicContact CD1-SD 3.74Å; Y712-M763 HydrophobicContact CE1-CG 3.28Å; Y712-M763 HydrophobicContact CE1-SD 3.55Å; Y712-M763 VanDerWaalsContact CE1-SD 3.55Å; Y712-M763 HydrophobicContact CG-SD 4.44Å; F719-M763 HydrophobicContact CD2-SD 4.39Å; F719-M763 HydrophobicContact CE2-SD 4.06Å; F722-M763 HydrophobicContact CD1-CE 4.29Å; F722-M763 HydrophobicContact CD1-SD 4.04Å; F722-M763 HydrophobicContact CE1-CE 3.43Å; F722-M763 VanDerWaalsContact CE1-CE 3.43Å; F722-M763 HydrophobicContact CE1-SD 3.72Å; F722-M763 HydrophobicContact CE2-CE 4.34Å; F722-M763 HydrophobicContact CZ-CE 3.48Å; F722-M763 VanDerWaalsContact CZ-CE 3.48Å; F722-M763 HydrophobicContact CZ-SD 4.28Å; F740-M763 HydrophobicContact CD1-CB 4.37Å; F740-M763 HydrophobicContact CE1-CB 3.75Å; F740-M763 HydrophobicContact CE2-CB 4.31Å; F740-M763 HydrophobicContact CE2-CG 4.45Å; F740-M763 HydrophobicContact CZ-CB 3.73Å; F740-M763 HydrophobicContact CZ-CG 4.2Å; R759-M763 WeakPolarHBondContact O-CB 3.47Å; R759-M763 WeakPolarHBondContact O-CG 3.48Å; R759-M763 PolarHBondContact O-N 3.33Å; I760-M763 PolarHBondContact O-N 2.88Å; H761-M763 VanDerWaalsContact C-N 3.3Å; H761-M763 PolarHBondContact O-N 3.21Å; M763-Y766 PolarHBondContact O-N 3.17Å; M763-I767 HydrophobicContact CE-CD1 4.35Å; M763-I767 VanDerWaalsContact O-CG1 3.25Å; M763-I767 WeakPolarHBondContact O-CG1 3.39Å; M763-I767 PolarHBondContact O-N 3.45Å |
| 764 | Y | 91 | Very high | 83.2 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.1 | -84 | -66.1 | 0 | 0 | 0 | 111.5 | L737 F740 T741 I760 H761 Y766 I767 I768 I853 V856 I857 I860 | L737-Y764 HydrophobicContact CD1-CD1 3.46Å; L737-Y764 VanDerWaalsContact CD1-CD1 3.46Å; L737-Y764 HydrophobicContact CD1-CE1 3.56Å; F740-Y764 HydrophobicContact CD1-CD1 4.43Å; F740-Y764 HydrophobicContact CD1-CD2 4.28Å; F740-Y764 HydrophobicContact CD1-CE1 4.07Å; F740-Y764 AromaticContact CD1-CE2 3.92Å; F740-Y764 HydrophobicContact CD1-CE2 3.92Å; F740-Y764 AromaticContact CD1-CZ 3.79Å; F740-Y764 AromaticContact CE1-CD2 3.73Å; F740-Y764 HydrophobicContact CE1-CD2 3.73Å; F740-Y764 HydrophobicContact CE1-CE1 4.46Å; F740-Y764 AromaticContact CE1-CE2 3.54Å; F740-Y764 HydrophobicContact CE1-CE2 3.54Å; F740-Y764 HydrophobicContact CE1-CG 4.28Å; F740-Y764 AromaticContact CE1-CZ 3.92Å; T741-Y764 WeakPolarHBondContact CA-OH 3.32Å; T741-Y764 WeakPolarHBondContact CB-OH 3.38Å; T741-Y764 PolarHBondContact OG1-OH 3.41Å; I760-Y764 HydrophobicContact CG2-CD2 3.57Å; I760-Y764 HydrophobicContact CG2-CE2 3.53Å; I760-Y764 VanDerWaalsContact O-CD2 3.28Å; I760-Y764 WeakPolarHBondContact O-CD2 3.38Å; I760-Y764 PolarHBondContact O-N 3.38Å; H761-Y764 PolarHBondContact O-N 2.79Å; Y764-Y766 VanDerWaalsContact C-N 3.33Å; Y764-Y766 PolarHBondContact O-N 3.06Å; Y764-I767 PolarHBondContact O-N 3.45Å; Y764-I768 VanDerWaalsContact O-CB 3.25Å; Y764-I768 WeakPolarHBondContact O-CB 3.31Å; Y764-I768 WeakPolarHBondContact O-CD1 3.45Å; Y764-I768 WeakPolarHBondContact O-CG1 3.47Å; Y764-I768 PolarHBondContact O-N 3.39Å; Y764-I853 HydrophobicContact CE2-CG2 4.29Å; Y764-I853 WeakPolarHBondContact OH-CG2 3.49Å; Y764-V856 HydrophobicContact CD2-CG1 3.77Å; Y764-V856 HydrophobicContact CG-CG1 4.45Å; Y764-I857 HydrophobicContact CD1-CD1 3.76Å; Y764-I857 HydrophobicContact CD2-CD1 4.49Å; Y764-I857 HydrophobicContact CE1-CD1 3.77Å; Y764-I857 HydrophobicContact CE2-CD1 4.48Å; Y764-I857 HydrophobicContact CG-CD1 4.16Å; Y764-I860 HydrophobicContact CG-CD1 4.3Å |
| 765 | C | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 175.4 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | H761 H762 Y769 L878 T882 | H761-C765 PolarHBondContact CE1-SG 3.42Å; H761-C765 WeakPolarHBondContact O-CB 3.47Å; H761-C765 PolarHBondContact O-N 3.45Å; H761-C765 PolarHBondContact O-SG 3.26Å; H761-C765 VanDerWaalsContact O-SG 3.37Å; H762-C765 PolarHBondContact O-N 3.08Å; C765-Y769 WeakPolarHBondContact O-CB 3.33Å; C765-Y769 PolarHBondContact O-N 2.97Å; C765-L878 HydrophobicContact CB-CD2 4.39Å; C765-T882 HydrophobicContact CB-CG2 4.14Å |
| 766 | Y | 87.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | 179.1 | 178.6 | -106.1 | 0 | 0 | 0 | 113 | F719 Q723 I726 E727 H762 M763 Y764 Y769 R770 T882 | F719-Y766 HydrophobicContact CE2-CG 4.5Å; F719-Y766 HydrophobicContact CZ-CD2 4.01Å; F719-Y766 AromaticContact CZ-CG 3.94Å; F719-Y766 HydrophobicContact CZ-CG 3.94Å; Q723-Y766 HydrophobicContact CG-CE2 3.84Å; I726-Y766 HydrophobicContact CB-CE1 4.46Å; I726-Y766 HydrophobicContact CG2-CE1 4.06Å; E727-Y766 WeakPolarHBondContact CG-OH 3.37Å; E727-Y766 PolarHBondContact OE1-OH 3.42Å; H762-Y766 WeakPolarHBondContact O-CB 3.34Å; H762-Y766 PolarHBondContact O-N 3.25Å; M763-Y766 PolarHBondContact O-N 3.17Å; Y764-Y766 VanDerWaalsContact C-N 3.33Å; Y764-Y766 PolarHBondContact O-N 3.06Å; Y766-Y769 WeakPolarHBondContact O-CB 3.25Å; Y766-Y769 PolarHBondContact O-N 3.28Å; Y766-R770 HydrophobicContact CE1-CG 4.14Å; Y766-R770 HydrophobicContact CE2-CG 4.29Å; Y766-R770 WeakPolarHBondContact O-CG 3.45Å; Y766-R770 PolarHBondContact O-N 3.17Å; Y766-R770 PolarHBondContact OH-NH1 2.95Å; Y766-T882 HydrophobicContact CD2-CG2 4.29Å |
| 767 | I | 86.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | -178.3 | -63 | 168.6 | 0 | 0 | 0 | 110.5 | F709 P733 L736 L737 F740 M763 Y764 R770 I771 | F709-I767 HydrophobicContact CE1-CD1 4.35Å; F709-I767 HydrophobicContact CZ-CD1 4.36Å; P733-I767 WeakPolarHBondContact O-CG2 3.48Å; L736-I767 HydrophobicContact CB-CD1 4.32Å; L736-I767 HydrophobicContact CB-CG2 4.48Å; L737-I767 HydrophobicContact CB-CG2 3.63Å; L737-I767 HydrophobicContact CD1-CB 4.36Å; L737-I767 HydrophobicContact CD1-CG2 3.94Å; L737-I767 HydrophobicContact CG-CG2 4.33Å; F740-I767 HydrophobicContact CB-CD1 4.33Å; M763-I767 HydrophobicContact CE-CD1 4.35Å; M763-I767 VanDerWaalsContact O-CG1 3.25Å; M763-I767 WeakPolarHBondContact O-CG1 3.39Å; M763-I767 PolarHBondContact O-N 3.45Å; Y764-I767 PolarHBondContact O-N 3.45Å; I767-R770 PolarHBondContact O-N 3.09Å; I767-I771 HydrophobicContact CG2-CD1 4.12Å; I767-I771 VanDerWaalsContact O-CG1 3.31Å; I767-I771 WeakPolarHBondContact O-CG1 3.43Å; I767-I771 PolarHBondContact O-N 3.47Å |
| 768 | I | 85.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 176.5 | -67.6 | 166 | 0 | 0 | 0 | 110.7 | L737 Y764 R770 I771 L772 F834 I860 I864 L878 | L737-I768 HydrophobicContact CD1-CG1 4.49Å; Y764-I768 VanDerWaalsContact O-CB 3.25Å; Y764-I768 WeakPolarHBondContact O-CB 3.31Å; Y764-I768 WeakPolarHBondContact O-CD1 3.45Å; Y764-I768 WeakPolarHBondContact O-CG1 3.47Å; Y764-I768 PolarHBondContact O-N 3.39Å; I768-R770 VanDerWaalsContact C-N 3.34Å; I768-R770 PolarHBondContact O-N 3.25Å; I768-I771 PolarHBondContact O-N 2.78Å; I768-L772 HydrophobicContact CG2-CD1 4.08Å; I768-L772 HydrophobicContact CG2-CG 4.44Å; I768-L772 WeakPolarHBondContact O-CG 3.47Å; I768-L772 PolarHBondContact O-N 2.93Å; I768-F834 HydrophobicContact CD1-CE1 4.42Å; I768-F834 HydrophobicContact CD1-CZ 4.06Å; I768-I860 HydrophobicContact CD1-CD1 4.38Å; I768-I860 HydrophobicContact CD1-CG2 3.79Å; I768-I864 HydrophobicContact CG2-CD1 4.43Å; I768-L878 HydrophobicContact CG2-CD1 4.07Å |
| 769 | Y | 84.2 | Confident | 78.9 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 11% | 0.106 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.8 | -49.4 | 171.8 | 163.3 | -99.8 | 0 | 0 | 0 | 111.2 | C765 Y766 I771 L772 V773 L875 Y879 L919 | C765-Y769 WeakPolarHBondContact O-CB 3.33Å; C765-Y769 PolarHBondContact O-N 2.97Å; Y766-Y769 WeakPolarHBondContact O-CB 3.25Å; Y766-Y769 PolarHBondContact O-N 3.28Å; Y769-I771 VanDerWaalsContact C-N 3.34Å; Y769-I771 PolarHBondContact O-N 2.96Å; Y769-L772 PolarHBondContact O-N 3.42Å; Y769-L772 VanDerWaalsContact O-N 3.17Å; Y769-V773 HydrophobicContact CD2-CG2 3.99Å; Y769-V773 HydrophobicContact CE1-CG2 4.09Å; Y769-V773 HydrophobicContact CE2-CG2 3.52Å; Y769-V773 HydrophobicContact CG-CG2 4.45Å; Y769-V773 WeakPolarHBondContact O-CG2 3.46Å; Y769-V773 PolarHBondContact O-N 3.26Å; Y769-L875 HydrophobicContact CD2-CB 4.41Å; Y769-L875 HydrophobicContact CD2-CD2 4Å; Y769-L875 HydrophobicContact CE2-CB 4.25Å; Y769-L875 HydrophobicContact CE2-CD2 4.22Å; Y769-Y879 HydrophobicContact CE1-CD2 4.03Å; Y769-Y879 HydrophobicContact CE2-CD2 4.22Å; Y769-Y879 AromaticContact CZ-CD2 3.84Å; Y769-L919 HydrophobicContact CE2-CD2 4.41Å |
| 770 | R | 81.5 | Confident | 76.8 | Confident | 51 Ų | 51 | 29.3 Ų | 29.3 | 19% | 0.192 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 177.1 | -73.7 | -78.6 | -67.1 | -102.5 | 0.9 | 112.3 | E727 P733 Y766 I767 I768 L772 V773 E774 | E727-R770 VanDerWaalsContact CG-NH1 3.3Å; P733-R770 HydrophobicContact CB-CB 3.96Å; P733-R770 HydrophobicContact CG-CB 4.01Å; Y766-R770 HydrophobicContact CE1-CG 4.14Å; Y766-R770 HydrophobicContact CE2-CG 4.29Å; Y766-R770 WeakPolarHBondContact O-CG 3.45Å; Y766-R770 PolarHBondContact O-N 3.17Å; Y766-R770 PolarHBondContact OH-NH1 2.95Å; I767-R770 PolarHBondContact O-N 3.09Å; I768-R770 VanDerWaalsContact C-N 3.34Å; I768-R770 PolarHBondContact O-N 3.25Å; R770-L772 VanDerWaalsContact C-N 3.35Å; R770-L772 PolarHBondContact O-N 3.46Å; R770-V773 PolarHBondContact O-N 3.47Å; R770-E774 WeakPolarHBondContact O-CB 3.34Å; R770-E774 PolarHBondContact O-N 2.97Å |
| 771 | I | 79.1 | Confident | 74.3 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.3 | -68.7 | 166.8 | 0 | 0 | 0 | 110.8 | P733 K734 L737 I767 I768 Y769 E774 L775 | P733-I771 HydrophobicContact CB-CD1 4.49Å; P733-I771 HydrophobicContact CB-CG1 3.54Å; K734-I771 HydrophobicContact CG-CD1 4.18Å; K734-I771 HydrophobicContact CG-CG1 4.29Å; L737-I771 HydrophobicContact CB-CD1 4.34Å; L737-I771 HydrophobicContact CD2-CD1 3.67Å; I767-I771 HydrophobicContact CG2-CD1 4.12Å; I767-I771 VanDerWaalsContact O-CG1 3.31Å; I767-I771 WeakPolarHBondContact O-CG1 3.43Å; I767-I771 PolarHBondContact O-N 3.47Å; I768-I771 PolarHBondContact O-N 2.78Å; Y769-I771 VanDerWaalsContact C-N 3.34Å; Y769-I771 PolarHBondContact O-N 2.96Å; I771-E774 PolarHBondContact O-N 3.27Å; I771-L775 HydrophobicContact CG2-CD1 3.76Å; I771-L775 HydrophobicContact CG2-CG 4.49Å; I771-L775 WeakPolarHBondContact O-CB 3.27Å; I771-L775 WeakPolarHBondContact O-CD1 3.15Å; I771-L775 VanDerWaalsContact O-CG 3.23Å; I771-L775 WeakPolarHBondContact O-CG 3.42Å; I771-L775 PolarHBondContact O-N 2.86Å |
| 772 | L | 77.7 | Confident | 71.7 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | -179.9 | -72.7 | 172.6 | 0 | 0 | 0 | 112.5 | I768 Y769 R770 E774 L775 L776 F830 I874 L875 L878 | I768-L772 HydrophobicContact CG2-CD1 4.08Å; I768-L772 HydrophobicContact CG2-CG 4.44Å; I768-L772 WeakPolarHBondContact O-CG 3.47Å; I768-L772 PolarHBondContact O-N 2.93Å; Y769-L772 PolarHBondContact O-N 3.42Å; Y769-L772 VanDerWaalsContact O-N 3.17Å; R770-L772 VanDerWaalsContact C-N 3.35Å; R770-L772 PolarHBondContact O-N 3.46Å; L772-E774 VanDerWaalsContact C-N 3.34Å; L772-E774 PolarHBondContact O-N 3.08Å; L772-L775 PolarHBondContact O-N 3.45Å; L772-L776 WeakPolarHBondContact O-CB 3.39Å; L772-L776 VanDerWaalsContact O-CG 3.25Å; L772-L776 WeakPolarHBondContact O-CG 3.47Å; L772-L776 PolarHBondContact O-N 2.91Å; L772-F830 HydrophobicContact CD2-CD2 4.13Å; L772-F830 HydrophobicContact CD2-CE2 4.04Å; L772-I874 HydrophobicContact CD1-CG2 4.08Å; L772-L875 HydrophobicContact CB-CD2 3.65Å; L772-L878 HydrophobicContact CD1-CD1 3.61Å |
| 773 | V | 76.6 | Confident | 69.2 | Low | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Y769 R770 L775 L776 S777 L875 | Y769-V773 HydrophobicContact CD2-CG2 3.99Å; Y769-V773 HydrophobicContact CE1-CG2 4.09Å; Y769-V773 HydrophobicContact CE2-CG2 3.52Å; Y769-V773 HydrophobicContact CG-CG2 4.45Å; Y769-V773 WeakPolarHBondContact O-CG2 3.46Å; Y769-V773 PolarHBondContact O-N 3.26Å; R770-V773 PolarHBondContact O-N 3.47Å; V773-L775 VanDerWaalsContact C-N 3.33Å; V773-L775 PolarHBondContact O-N 2.88Å; V773-L776 PolarHBondContact O-N 3.27Å; V773-S777 WeakPolarHBondContact O-CB 3.49Å; V773-S777 PolarHBondContact O-N 3.28Å; V773-S777 PolarHBondContact O-OG 2.91Å; V773-S777 VanDerWaalsContact O-OG 3.12Å; V773-L875 HydrophobicContact CG2-CD1 4.25Å; V773-L875 HydrophobicContact CG2-CD2 3.73Å |
| 774 | E | 72.1 | Confident | 66.5 | Low | 44 Ų | 44 | 56.8 Ų | 56.8 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 178.1 | -165.9 | -179.3 | 169.9 | 0 | 0 | 111.5 | P733 R770 I771 L772 S777 L778 K818 | P733-E774 WeakPolarHBondContact CD-OE2 3.48Å; P733-E774 WeakPolarHBondContact CG-OE2 3.45Å; R770-E774 WeakPolarHBondContact O-CB 3.34Å; R770-E774 PolarHBondContact O-N 2.97Å; I771-E774 PolarHBondContact O-N 3.27Å; L772-E774 VanDerWaalsContact C-N 3.34Å; L772-E774 PolarHBondContact O-N 3.08Å; E774-S777 PolarHBondContact O-OG 3.48Å; E774-L778 WeakPolarHBondContact O-CD1 3.26Å; E774-K818 WeakPolarHBondContact OE1-CE 3.33Å; E774-K818 IonicContact OE1-NZ 2.72Å; E774-K818 PolarHBondContact OE1-NZ 3.34Å |
| 775 | L | 67.6 | Low | 63.6 | Low | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.5 | -78.1 | 165.5 | 0 | 0 | 0 | 113.1 | I771 L772 V773 Y826 L829 | I771-L775 HydrophobicContact CG2-CD1 3.76Å; I771-L775 HydrophobicContact CG2-CG 4.49Å; I771-L775 WeakPolarHBondContact O-CB 3.27Å; I771-L775 WeakPolarHBondContact O-CD1 3.15Å; I771-L775 VanDerWaalsContact O-CG 3.23Å; I771-L775 WeakPolarHBondContact O-CG 3.42Å; I771-L775 PolarHBondContact O-N 2.86Å; L772-L775 PolarHBondContact O-N 3.45Å; V773-L775 VanDerWaalsContact C-N 3.33Å; V773-L775 PolarHBondContact O-N 2.88Å; L775-Y826 HydrophobicContact CD2-CD1 4.06Å; L775-L829 HydrophobicContact CD2-CD2 3.72Å |
| 776 | L | 67 | Low | 60.9 | Low | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -75.7 | -35.6 | -176.3 | -70.5 | 168.8 | 0 | 0 | 0 | 112.7 | L772 V773 L778 L779 L875 L922 M924 | L772-L776 WeakPolarHBondContact O-CB 3.39Å; L772-L776 VanDerWaalsContact O-CG 3.25Å; L772-L776 WeakPolarHBondContact O-CG 3.47Å; L772-L776 PolarHBondContact O-N 2.91Å; V773-L776 PolarHBondContact O-N 3.27Å; L776-L778 PolarHBondContact O-N 3.39Å; L776-L779 HydrophobicContact CD2-CD1 4.25Å; L776-L779 PolarHBondContact O-N 3.39Å; L776-L875 HydrophobicContact CD1-CD1 3.67Å; L776-L875 HydrophobicContact CD1-CD2 4.19Å; L776-L875 HydrophobicContact CD1-CG 4Å; L776-L922 HydrophobicContact CB-CD2 4.28Å; L776-M924 HydrophobicContact CD2-CG 4.06Å; L776-M924 HydrophobicContact CD2-SD 3.41Å; L776-M924 WeakPolarHBondContact CD2-SD 3.3Å |
| 777 | S | 66.9 | Low | 58.1 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 56% | 0.559 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.9 | -16.1 | 177.3 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | V773 E774 | V773-S777 WeakPolarHBondContact O-CB 3.49Å; V773-S777 PolarHBondContact O-N 3.28Å; V773-S777 PolarHBondContact O-OG 2.91Å; V773-S777 VanDerWaalsContact O-OG 3.12Å; E774-S777 PolarHBondContact O-OG 3.48Å |
| 778 | L | 58.5 | Low | 55.3 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8.5 | 178 | -78.3 | 160.5 | 0 | 0 | 0 | 114.2 | E774 L776 P780 | E774-L778 WeakPolarHBondContact O-CD1 3.26Å; L776-L778 PolarHBondContact O-N 3.39Å; L778-P780 WeakPolarHBondContact O-CD 3.33Å |
| 779 | L | 50 | Low | 52.5 | Low | 73 Ų | 73 | 89 Ų | 89 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 121.5 | 179.5 | -93.1 | 116.3 | 0 | 0 | 0 | 111.6 | L776 | L776-L779 HydrophobicContact CD2-CD1 4.25Å; L776-L779 PolarHBondContact O-N 3.39Å |
| 780 | P | 41.6 | Very low | 49.8 | Very low | 117 Ų | 117 | 95.2 Ų | 95.2 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -71 | 132.6 | 175.5 | -11.6 | 26.6 | 0 | 0 | 0 | 111 | L778 A782 | L778-P780 WeakPolarHBondContact O-CD 3.33Å; P780-A782 PolarHBondContact O-N 3.46Å |
| 781 | E | 35.6 | Very low | 47.3 | Very low | 166 Ų | 166 | 96.7 Ų | 96.7 | 78% | 0.776 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 133 | 174.1 | -73.5 | -175.7 | 158.9 | 0 | 0 | 111.5 | V783 | E781-V783 PolarHBondContact O-N 3.38Š|
| 782 | A | 34.7 | Very low | 44.7 | Very low | 94 Ų | 94 | 105 Ų | 105 | 78% | 0.777 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 122.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P780 K784 | P780-A782 PolarHBondContact O-N 3.46Å; A782-K784 PolarHBondContact O-N 2.88Å |
| 783 | V | 32.8 | Very low | 42.2 | Very low | 138 Ų | 138 | 112.2 Ų | 112.2 | 84% | 0.836 | 63% | 0.631 | S | S | * | * | trans | -52.9 | 110.6 | 170.2 | 177 | 0 | 0 | 0 | 0 | 107.7 | E781 E785 | E781-V783 PolarHBondContact O-N 3.38Å; V783-E785 PolarHBondContact O-N 3.21Å | ||
| 784 | K | 31.7 | Very low | 39.8 | Very low | 185 Ų | 185 | 118 Ų | 118 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -56.3 | 119.9 | 173.3 | -72.8 | 177.8 | 177 | 174.3 | 0 | 108.2 | A782 D786 | A782-K784 PolarHBondContact O-N 2.88Å; K784-D786 VanDerWaalsContact C-N 3.31Å; K784-D786 PolarHBondContact O-N 3.49Å | ||
| 785 | E | 30.6 | Very low | 37.5 | Very low | 194 Ų | 194 | 121.1 Ų | 121.1 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 92.4 | 169.1 | -70 | -178.2 | 155.7 | 0 | 0 | 108.5 | V783 G787 | V783-E785 PolarHBondContact O-N 3.21Å; E785-G787 PolarHBondContact O-N 3.29Å; E785-G787 VanDerWaalsContact O-N 3.13Å | ||
| 786 | D | 31.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -70.1 | 103.6 | 162.6 | -81.9 | -27.5 | 0 | 0 | 0 | 107.8 | K784 | K784-D786 VanDerWaalsContact C-N 3.31Å; K784-D786 PolarHBondContact O-N 3.49Å | ||
| 787 | G | 27 | Very low | 33.5 | Very low | 60 Ų | 60 | 136.2 Ų | 136.2 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | trans | -62.1 | 135.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E785 | E785-G787 PolarHBondContact O-N 3.29Å; E785-G787 VanDerWaalsContact O-N 3.13Å | ||
| 788 | N | 27.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | 171.8 | 127 | 116.3 | -88.7 | -33.5 | 0 | 0 | 0 | 111.6 | |||||
| 789 | N | 27.1 | Very low | 29.9 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | 74.7 | 108.8 | 139.6 | -59.7 | -8.9 | 0 | 0 | 0 | 120.5 | ||||
| 790 | D | 27.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | 59.6 | 107.2 | 121.6 | -55 | -22.4 | 0 | 0 | 0 | 118.9 | |||||
| 791 | G | 28.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -177.7 | 82.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 792 | E | 25.3 | Very low | 27.2 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -17.6 | 134.6 | 171.5 | -67.7 | 173.4 | 153.1 | 0 | 0 | 119.9 | ||||
| 793 | E | 24.2 | Very low | 26.6 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 23.5 | 110.3 | 137.5 | -62.5 | -171.3 | 161.7 | 0 | 0 | 118.9 | ||||
| 794 | N | 26.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -145.4 | 104.3 | 136.8 | -97.3 | -45 | 0 | 0 | 0 | 111.1 | N796 | N794-N796 PolarHBondContact O-N 3.4Š| ||
| 795 | S | 24.8 | Very low | 25.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 108.1 | 173.1 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 796 | N | 25.4 | Very low | 25.5 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -125 | 91.3 | 161.1 | -94.3 | -29.6 | 0 | 0 | 0 | 109.3 | N794 G798 | N794-N796 PolarHBondContact O-N 3.4Å; N796-G798 PolarHBondContact O-N 3.24Å | ||
| 797 | K | 25.2 | Very low | 25.4 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | trans | -60.8 | 82.6 | 167 | -79.3 | 177.7 | 172 | 174.4 | 0 | 109.8 | K799 | K797-K799 PolarHBondContact O-N 2.96Š| ||
| 798 | G | 25 | Very low | 25.3 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -79.6 | 101.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N796 C800 | N796-G798 PolarHBondContact O-N 3.24Å; G798-C800 PolarHBondContact O-N 3.13Å | ||
| 799 | K | 23.8 | Very low | 25.3 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | trans | -46.7 | 108.1 | 172 | -76.4 | 170.4 | 172.2 | 173.9 | 0 | 110.9 | K797 I801 | K797-K799 PolarHBondContact O-N 2.96Å; K799-I801 PolarHBondContact O-N 2.72Å | ||
| 800 | C | 22.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | trans | -68.7 | 109.5 | 165.2 | -74.1 | 0 | 0 | 0 | 0 | 108.5 | G798 S802 | G798-C800 PolarHBondContact O-N 3.13Å; C800-S802 PolarHBondContact O-N 3.12Å | ||
| 801 | I | 24.2 | Very low | 26 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | trans | -63.9 | 123.1 | 170.7 | -68.9 | 167.9 | 0 | 0 | 0 | 107.1 | K799 G803 | K799-I801 PolarHBondContact O-N 2.72Å; I801-G803 VanDerWaalsContact C-N 3.34Å; I801-G803 PolarHBondContact O-N 3.46Å | ||
| 802 | S | 23.5 | Very low | 26.2 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 86.4 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | C800 N804 | C800-S802 PolarHBondContact O-N 3.12Å; S802-N804 PolarHBondContact O-N 3.49Å | ||
| 803 | G | 22.5 | Very low | 26.9 | Very low | 62 Ų | 62 | 117.3 Ų | 117.3 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | trans | -85.9 | 98.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I801 V805 | I801-G803 VanDerWaalsContact C-N 3.34Å; I801-G803 PolarHBondContact O-N 3.46Å; G803-V805 PolarHBondContact O-N 3.28Å | ||
| 804 | N | 23.6 | Very low | 27.5 | Very low | 140 Ų | 140 | 109.5 Ų | 109.5 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | trans | -57.5 | 95.3 | 173.7 | -81.4 | -38.6 | 0 | 0 | 0 | 111.9 | S802 K806 | S802-N804 PolarHBondContact O-N 3.49Å; N804-K806 PolarHBondContact O-N 2.95Å | ||
| 805 | V | 23.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 104.1 Ų | 104.1 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | trans | -88 | 97 | 166 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | G803 | G803-V805 PolarHBondContact O-N 3.28Š| ||
| 806 | K | 25.6 | Very low | 28.5 | Very low | 139 Ų | 139 | 102.7 Ų | 102.7 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | trans | -85.5 | 103.7 | 174.9 | -74 | -179 | 174.7 | 179.3 | 0 | 108.5 | N804 Q808 | N804-K806 PolarHBondContact O-N 2.95Å; K806-Q808 PolarHBondContact O-N 2.99Å | ||
| 807 | N | 28.4 | Very low | 28.9 | Very low | 120 Ų | 120 | 96.6 Ų | 96.6 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | trans | -73.9 | 106.5 | -179.2 | -72.6 | -18.4 | 0 | 0 | 0 | 111.2 | ||||
| 808 | Q | 25.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 90.6 Ų | 90.6 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | trans | -98.7 | 106.4 | 163.9 | -71.9 | 178.2 | -38.3 | 0 | 0 | 107 | K806 | K806-Q808 PolarHBondContact O-N 2.99Š| ||
| 809 | T | 28.5 | Very low | 30.1 | Very low | 39 Ų | 39 | 93.8 Ų | 93.8 | 24% | 0.239 | 50% | 0.499 | C | S | . | . | trans | -104.6 | 108.2 | 179.2 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | I817 | T809-I817 HydrophobicContact CG2-CD1 4.29Š| ||
| 810 | N | 31.7 | Very low | 30.5 | Very low | 52 Ų | 52 | 87.9 Ų | 87.9 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | trans | -70.1 | 157.5 | 169.3 | -87.8 | -21.3 | 0 | 0 | 0 | 110.7 | L812 D813 F814 | N810-L812 PolarHBondContact O-N 3.22Å; N810-L812 VanDerWaalsContact O-N 3.11Å; N810-D813 WeakPolarHBondContact O-CA 3.48Å; N810-D813 WeakPolarHBondContact O-CB 3.43Å; N810-D813 PolarHBondContact O-N 3.47Å; N810-F814 PolarHBondContact O-N 2.83Å | ||
| 811 | F | 36 | Very low | 31.2 | Very low | 76 Ų | 76 | 92 Ų | 92 | 33% | 0.333 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -53.4 | -31.2 | -178.4 | -177.4 | -98.3 | 0 | 0 | 0 | 114.6 | F738 F814 L815 | F738-F811 HydrophobicContact CE2-CE2 4.44Å; F811-F814 WeakPolarHBondContact O-CB 3.34Å; F811-F814 PolarHBondContact O-N 2.9Å; F811-L815 HydrophobicContact CD1-CD1 4.46Å; F811-L815 HydrophobicContact CE1-CD1 3.89Å; F811-L815 HydrophobicContact CZ-CD1 4.33Å; F811-L815 PolarHBondContact O-N 3.22Å |
| 812 | L | 34.5 | Very low | 32 | Very low | 73 Ų | 73 | 86.9 Ų | 86.9 | 38% | 0.382 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.9 | -39.8 | 172.6 | -83.7 | 161.9 | 0 | 0 | 0 | 112.6 | N810 F814 L815 D816 | N810-L812 PolarHBondContact O-N 3.22Å; N810-L812 VanDerWaalsContact O-N 3.11Å; L812-F814 PolarHBondContact O-N 2.69Å; L812-L815 PolarHBondContact O-N 3.01Å; L812-D816 WeakPolarHBondContact O-CB 3.3Å; L812-D816 PolarHBondContact O-N 3.26Å |
| 813 | D | 38.3 | Very low | 32.9 | Very low | 38 Ų | 38 | 87.7 Ų | 87.7 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.8 | -34.7 | 169.5 | -75.5 | -27.5 | 0 | 0 | 0 | 109.7 | K386 N810 D816 I817 | K386-D813 VanDerWaalsContact CE-OD2 3.3Å; K386-D813 WeakPolarHBondContact CE-OD2 3.02Å; K386-D813 IonicContact NZ-OD1 3Å; K386-D813 PolarHBondContact NZ-OD1 3.49Å; K386-D813 IonicContact NZ-OD2 3.33Å; K386-D813 PolarHBondContact NZ-OD2 3.41Å; N810-D813 WeakPolarHBondContact O-CA 3.48Å; N810-D813 WeakPolarHBondContact O-CB 3.43Å; N810-D813 PolarHBondContact O-N 3.47Å; D813-D816 PolarHBondContact O-N 3.33Å; D813-I817 VanDerWaalsContact O-CB 3.22Å; D813-I817 WeakPolarHBondContact O-CB 3.43Å; D813-I817 WeakPolarHBondContact O-CD1 3.2Å; D813-I817 WeakPolarHBondContact O-CG1 3.26Å; D813-I817 PolarHBondContact O-N 3.23Å |
| 814 | F | 37.5 | Very low | 34 | Very low | 13 Ų | 13 | 93.3 Ų | 93.3 | 6% | 0.057 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.1 | -34 | 177.4 | 178.3 | -106.8 | 0 | 0 | 0 | 114.8 | K734 N810 F811 L812 L829 L832 T833 | K734-F814 HydrophobicContact CD-CE1 4.41Å; N810-F814 PolarHBondContact O-N 2.83Å; F811-F814 WeakPolarHBondContact O-CB 3.34Å; F811-F814 PolarHBondContact O-N 2.9Å; L812-F814 PolarHBondContact O-N 2.69Å; F814-L829 HydrophobicContact CD2-CD1 4.01Å; F814-L829 HydrophobicContact CE2-CD1 3.72Å; F814-L829 HydrophobicContact CE2-CG 3.82Å; F814-L829 HydrophobicContact CZ-CG 4.36Å; F814-L832 HydrophobicContact CD2-CB 3.96Å; F814-L832 HydrophobicContact CD2-CD1 3.49Å; F814-L832 VanDerWaalsContact CD2-CD1 3.49Å; F814-L832 HydrophobicContact CD2-CG 4.35Å; F814-L832 HydrophobicContact CE2-CB 3.32Å; F814-L832 HydrophobicContact CE2-CD1 3.63Å; F814-L832 HydrophobicContact CE2-CG 4.13Å; F814-L832 HydrophobicContact CZ-CB 3.84Å; F814-T833 HydrophobicContact CE1-CG2 4.46Å; F814-T833 HydrophobicContact CZ-CG2 3.82Å |
| 815 | L | 33.3 | Very low | 35.3 | Very low | 50 Ų | 50 | 88.3 Ų | 88.3 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -79.8 | -35.6 | 171.9 | -71.8 | 173.7 | 0 | 0 | 0 | 112 | I691 F811 L812 I817 | I691-L815 HydrophobicContact CG2-CD1 4.41Å; F811-L815 HydrophobicContact CD1-CD1 4.46Å; F811-L815 HydrophobicContact CE1-CD1 3.89Å; F811-L815 HydrophobicContact CZ-CD1 4.33Å; F811-L815 PolarHBondContact O-N 3.22Å; L812-L815 PolarHBondContact O-N 3.01Å; L815-I817 VanDerWaalsContact C-N 3.29Å; L815-I817 PolarHBondContact O-N 3.25Å |
| 816 | D | 40.2 | Very low | 36.8 | Very low | 81 Ų | 81 | 85.9 Ų | 85.9 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -78 | -7.9 | 179.2 | -79.2 | -22 | 0 | 0 | 0 | 114.1 | L812 D813 K818 | L812-D816 WeakPolarHBondContact O-CB 3.3Å; L812-D816 PolarHBondContact O-N 3.26Å; D813-D816 PolarHBondContact O-N 3.33Å; D816-K818 PolarHBondContact O-N 2.97Å |
| 817 | I | 33.3 | Very low | 38.2 | Very low | 30 Ų | 30 | 79.8 Ų | 79.8 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -63.7 | 0.2 | -175.1 | -98.8 | 160.1 | 0 | 0 | 0 | 114.8 | T809 D813 L815 Y819 L825 L829 | T809-I817 HydrophobicContact CG2-CD1 4.29Å; D813-I817 VanDerWaalsContact O-CB 3.22Å; D813-I817 WeakPolarHBondContact O-CB 3.43Å; D813-I817 WeakPolarHBondContact O-CD1 3.2Å; D813-I817 WeakPolarHBondContact O-CG1 3.26Å; D813-I817 PolarHBondContact O-N 3.23Å; L815-I817 VanDerWaalsContact C-N 3.29Å; L815-I817 PolarHBondContact O-N 3.25Å; I817-Y819 PolarHBondContact O-N 3.28Å; I817-L825 HydrophobicContact CB-CD2 4.47Å; I817-L825 HydrophobicContact CG1-CD2 4.35Å; I817-L825 HydrophobicContact CG2-CD2 3.45Å; I817-L825 VanDerWaalsContact CG2-CD2 3.45Å; I817-L825 HydrophobicContact CG2-CG 4.38Å; I817-L829 HydrophobicContact CB-CD1 4.28Å; I817-L829 HydrophobicContact CG2-CD1 3.29Å |
| 818 | K | 38.2 | Very low | 39.7 | Very low | 85 Ų | 85 | 77.2 Ų | 77.2 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -56.4 | -3.7 | 172.9 | -91.9 | -174.5 | 176.1 | 178.1 | 0 | 115.1 | E774 D816 | E774-K818 WeakPolarHBondContact OE1-CE 3.33Å; E774-K818 IonicContact OE1-NZ 2.72Å; E774-K818 PolarHBondContact OE1-NZ 3.34Å; D816-K818 PolarHBondContact O-N 2.97Å |
| 819 | Y | 37.5 | Very low | 41.4 | Very low | 132 Ų | 132 | 72.5 Ų | 72.5 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -125.1 | 22 | -169.6 | -71 | -74 | 0 | 0 | 0 | 118.7 | I817 | I817-Y819 PolarHBondContact O-N 3.28Š|
| 820 | T | 30.8 | Very low | 43.3 | Very low | 78 Ų | 78 | 71.6 Ų | 71.6 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | trans | -120.7 | 112.7 | 171.5 | 46 | 0 | 0 | 0 | 0 | 113.4 | S822 L825 | T820-S822 PolarHBondContact O-N 3.39Å; T820-L825 WeakPolarHBondContact OG1-CD2 3.42Å | ||
| 821 | K | 38.3 | Very low | 45.1 | Very low | 217 Ų | 217 | 71.4 Ų | 71.4 | 94% | 0.943 | 34% | 0.341 | S | S | * | . | trans | -61.8 | 20.5 | -171.5 | -73.5 | -179.3 | 174.2 | 174.5 | 0 | 117.4 | ||||
| 822 | S | 40.4 | Very low | 46.7 | Very low | 54 Ų | 54 | 69.5 Ų | 69.5 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | trans | -98.5 | 120.6 | -178 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | T820 Q824 L825 | T820-S822 PolarHBondContact O-N 3.39Å; S822-Q824 PolarHBondContact O-N 2.91Å; S822-Q824 VanDerWaalsContact O-N 3.1Å; S822-L825 WeakPolarHBondContact O-CB 3.09Å; S822-L825 PolarHBondContact O-N 3.45Å | ||
| 823 | K | 42.2 | Very low | 48.5 | Very low | 124 Ų | 124 | 66.3 Ų | 66.3 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.9 | 176 | -75.9 | 180 | 174.9 | -178.2 | 0 | 114.3 | L825 | K823-L825 PolarHBondContact O-N 3.15Š|
| 824 | Q | 46.4 | Very low | 50.6 | Low | 179 Ų | 179 | 64.6 Ų | 64.6 | 84% | 0.836 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.1 | -18.7 | 174.7 | -94.1 | 178.7 | -23 | 0 | 0 | 114.3 | S822 | S822-Q824 PolarHBondContact O-N 2.91Å; S822-Q824 VanDerWaalsContact O-N 3.1Å |
| 825 | L | 51.5 | Low | 52.6 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.7 | -26.5 | -174.6 | -145.2 | 92.8 | 0 | 0 | 0 | 113.1 | I817 T820 S822 K823 M828 L829 | I817-L825 HydrophobicContact CB-CD2 4.47Å; I817-L825 HydrophobicContact CG1-CD2 4.35Å; I817-L825 HydrophobicContact CG2-CD2 3.45Å; I817-L825 VanDerWaalsContact CG2-CD2 3.45Å; I817-L825 HydrophobicContact CG2-CG 4.38Å; T820-L825 WeakPolarHBondContact OG1-CD2 3.42Å; S822-L825 WeakPolarHBondContact O-CB 3.09Å; S822-L825 PolarHBondContact O-N 3.45Å; K823-L825 PolarHBondContact O-N 3.15Å; L825-M828 WeakPolarHBondContact O-CB 3.36Å; L825-M828 PolarHBondContact O-N 3.18Å; L825-L829 PolarHBondContact O-N 3.35Å |
| 826 | Y | 54.5 | Low | 54.8 | Low | 71 Ų | 71 | 67.9 Ų | 67.9 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.1 | -39.9 | -174.8 | -64.9 | -71.7 | 0 | 0 | 0 | 112.6 | L775 M828 L829 F830 | L775-Y826 HydrophobicContact CD2-CD1 4.06Å; Y826-M828 VanDerWaalsContact C-N 3.31Å; Y826-M828 PolarHBondContact O-N 3.38Å; Y826-L829 WeakPolarHBondContact O-CB 3.38Å; Y826-L829 PolarHBondContact O-N 3.26Å; Y826-L829 VanDerWaalsContact O-N 3.15Å; Y826-F830 PolarHBondContact O-N 3.37Å |
| 827 | S | 54.2 | Low | 56.9 | Low | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 172.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | L829 F830 E831 | S827-L829 VanDerWaalsContact C-N 3.28Å; S827-L829 PolarHBondContact O-N 3.11Å; S827-F830 PolarHBondContact O-N 2.86Å; S827-E831 WeakPolarHBondContact O-CB 3.37Å; S827-E831 PolarHBondContact O-N 3.34Å; S827-E831 VanDerWaalsContact O-N 3.08Å |
| 828 | M | 60.2 | Low | 59.3 | Low | 66 Ų | 66 | 63.9 Ų | 63.9 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.3 | -166 | -178.6 | -175.3 | 0 | 0 | 112 | L825 Y826 L832 | L825-M828 WeakPolarHBondContact O-CB 3.36Å; L825-M828 PolarHBondContact O-N 3.18Å; Y826-M828 VanDerWaalsContact C-N 3.31Å; Y826-M828 PolarHBondContact O-N 3.38Å; M828-L832 HydrophobicContact CE-CD1 4.36Å; M828-L832 HydrophobicContact CG-CD1 3.93Å; M828-L832 HydrophobicContact CG-CG 4.38Å; M828-L832 VanDerWaalsContact O-CB 3.29Å; M828-L832 WeakPolarHBondContact O-CB 3.4Å; M828-L832 WeakPolarHBondContact O-CD1 3.44Å; M828-L832 WeakPolarHBondContact O-CG 3.02Å; M828-L832 PolarHBondContact O-N 2.98Å |
| 829 | L | 61.9 | Low | 61.4 | Low | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -44.4 | -178.1 | -146.9 | 87.1 | 0 | 0 | 0 | 112.8 | L775 F814 I817 L825 Y826 S827 L832 T833 | L775-L829 HydrophobicContact CD2-CD2 3.72Å; F814-L829 HydrophobicContact CD2-CD1 4.01Å; F814-L829 HydrophobicContact CE2-CD1 3.72Å; F814-L829 HydrophobicContact CE2-CG 3.82Å; F814-L829 HydrophobicContact CZ-CG 4.36Å; I817-L829 HydrophobicContact CB-CD1 4.28Å; I817-L829 HydrophobicContact CG2-CD1 3.29Å; L825-L829 PolarHBondContact O-N 3.35Å; Y826-L829 WeakPolarHBondContact O-CB 3.38Å; Y826-L829 PolarHBondContact O-N 3.26Å; Y826-L829 VanDerWaalsContact O-N 3.15Å; S827-L829 VanDerWaalsContact C-N 3.28Å; S827-L829 PolarHBondContact O-N 3.11Å; L829-L832 PolarHBondContact O-N 2.84Å; L829-T833 PolarHBondContact O-N 3.41Å |
| 830 | F | 68.3 | Low | 63.7 | Low | 20 Ų | 20 | 55.7 Ų | 55.7 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.9 | -177.5 | -93.8 | 0 | 0 | 0 | 110.9 | L772 Y826 S827 L832 T833 F834 I864 L936 | L772-F830 HydrophobicContact CD2-CD2 4.13Å; L772-F830 HydrophobicContact CD2-CE2 4.04Å; Y826-F830 PolarHBondContact O-N 3.37Å; S827-F830 PolarHBondContact O-N 2.86Å; F830-L832 VanDerWaalsContact C-N 3.32Å; F830-L832 PolarHBondContact O-N 3.11Å; F830-T833 PolarHBondContact O-N 3.04Å; F830-T833 PolarHBondContact O-OG1 2.85Å; F830-F834 HydrophobicContact CD1-CD2 4.21Å; F830-F834 HydrophobicContact CD1-CE2 4.2Å; F830-F834 HydrophobicContact CD2-CE2 4.18Å; F830-F834 AromaticContact CE1-CD2 3.92Å; F830-F834 HydrophobicContact CE1-CD2 3.92Å; F830-F834 AromaticContact CE1-CE2 3.63Å; F830-F834 HydrophobicContact CE1-CE2 3.63Å; F830-F834 HydrophobicContact CE2-CD2 4.49Å; F830-F834 AromaticContact CE2-CE2 3.62Å; F830-F834 HydrophobicContact CE2-CE2 3.62Å; F830-F834 HydrophobicContact CE2-CZ 4.46Å; F830-F834 HydrophobicContact CG-CE2 4.46Å; F830-F834 HydrophobicContact CZ-CD2 4.1Å; F830-F834 AromaticContact CZ-CE2 3.32Å; F830-F834 HydrophobicContact CZ-CE2 3.32Å; F830-F834 HydrophobicContact CZ-CZ 4.11Å; F830-F834 WeakPolarHBondContact O-CD2 3.21Å; F830-F834 PolarHBondContact O-N 3.26Å; F830-I864 HydrophobicContact CZ-CD1 4.31Å; F830-L936 HydrophobicContact CE1-CD2 3.88Å; F830-L936 HydrophobicContact CZ-CD2 4.49Å |
| 831 | E | 69.6 | Low | 66.4 | Low | 48 Ų | 48 | 52.1 Ų | 52.1 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.7 | -166.1 | -172.5 | 161 | 0 | 0 | 112 | S827 T833 F834 K835 L939 | S827-E831 WeakPolarHBondContact O-CB 3.37Å; S827-E831 PolarHBondContact O-N 3.34Å; S827-E831 VanDerWaalsContact O-N 3.08Å; E831-T833 PolarHBondContact O-N 3.18Å; E831-F834 PolarHBondContact O-N 2.96Å; E831-K835 HydrophobicContact CG-CD 4.32Å; E831-K835 WeakPolarHBondContact O-CB 2.98Å; E831-K835 WeakPolarHBondContact O-CG 3.45Å; E831-K835 PolarHBondContact O-N 2.95Å; E831-K835 WeakPolarHBondContact OE1-CE 3.36Å; E831-K835 IonicContact OE1-NZ 2.72Å; E831-K835 PolarHBondContact OE1-NZ 3.39Å; E831-L939 HydrophobicContact CG-CD1 4.42Å |
| 832 | L | 69.1 | Low | 68.5 | Low | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -34.1 | 178.8 | -75.8 | 170.5 | 0 | 0 | 0 | 112.9 | F814 M828 L829 F830 K835 Q836 | F814-L832 HydrophobicContact CD2-CB 3.96Å; F814-L832 HydrophobicContact CD2-CD1 3.49Å; F814-L832 VanDerWaalsContact CD2-CD1 3.49Å; F814-L832 HydrophobicContact CD2-CG 4.35Å; F814-L832 HydrophobicContact CE2-CB 3.32Å; F814-L832 HydrophobicContact CE2-CD1 3.63Å; F814-L832 HydrophobicContact CE2-CG 4.13Å; F814-L832 HydrophobicContact CZ-CB 3.84Å; M828-L832 HydrophobicContact CE-CD1 4.36Å; M828-L832 HydrophobicContact CG-CD1 3.93Å; M828-L832 HydrophobicContact CG-CG 4.38Å; M828-L832 VanDerWaalsContact O-CB 3.29Å; M828-L832 WeakPolarHBondContact O-CB 3.4Å; M828-L832 WeakPolarHBondContact O-CD1 3.44Å; M828-L832 WeakPolarHBondContact O-CG 3.02Å; M828-L832 PolarHBondContact O-N 2.98Å; L829-L832 PolarHBondContact O-N 2.84Å; F830-L832 VanDerWaalsContact C-N 3.32Å; F830-L832 PolarHBondContact O-N 3.11Å; L832-K835 HydrophobicContact CD2-CD 4.46Å; L832-K835 PolarHBondContact O-N 3.29Å; L832-Q836 PolarHBondContact O-N 3.28Å |
| 833 | T | 73.3 | Confident | 70.4 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | K734 F738 F814 L829 F830 E831 Q836 I837 | K734-T833 HydrophobicContact CD-CG2 4.25Å; K734-T833 HydrophobicContact CG-CG2 4.3Å; F738-T833 HydrophobicContact CZ-CG2 4.47Å; F814-T833 HydrophobicContact CE1-CG2 4.46Å; F814-T833 HydrophobicContact CZ-CG2 3.82Å; L829-T833 PolarHBondContact O-N 3.41Å; F830-T833 PolarHBondContact O-N 3.04Å; F830-T833 PolarHBondContact O-OG1 2.85Å; E831-T833 PolarHBondContact O-N 3.18Å; T833-Q836 PolarHBondContact O-N 2.96Å; T833-I837 WeakPolarHBondContact O-CG1 3.34Å; T833-I837 PolarHBondContact O-N 3.11Å; T833-I837 VanDerWaalsContact O-N 3.16Å |
| 834 | F | 82.2 | Confident | 72.3 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -35.4 | 176.9 | -74.6 | -79.9 | 0 | 0 | 0 | 112.4 | I768 F830 E831 Q836 I837 Y838 I857 L861 | I768-F834 HydrophobicContact CD1-CE1 4.42Å; I768-F834 HydrophobicContact CD1-CZ 4.06Å; F830-F834 HydrophobicContact CD1-CD2 4.21Å; F830-F834 HydrophobicContact CD1-CE2 4.2Å; F830-F834 HydrophobicContact CD2-CE2 4.18Å; F830-F834 AromaticContact CE1-CD2 3.92Å; F830-F834 HydrophobicContact CE1-CD2 3.92Å; F830-F834 AromaticContact CE1-CE2 3.63Å; F830-F834 HydrophobicContact CE1-CE2 3.63Å; F830-F834 HydrophobicContact CE2-CD2 4.49Å; F830-F834 AromaticContact CE2-CE2 3.62Å; F830-F834 HydrophobicContact CE2-CE2 3.62Å; F830-F834 HydrophobicContact CE2-CZ 4.46Å; F830-F834 HydrophobicContact CG-CE2 4.46Å; F830-F834 HydrophobicContact CZ-CD2 4.1Å; F830-F834 AromaticContact CZ-CE2 3.32Å; F830-F834 HydrophobicContact CZ-CE2 3.32Å; F830-F834 HydrophobicContact CZ-CZ 4.11Å; F830-F834 WeakPolarHBondContact O-CD2 3.21Å; F830-F834 PolarHBondContact O-N 3.26Å; E831-F834 PolarHBondContact O-N 2.96Å; F834-Q836 VanDerWaalsContact C-N 3.25Å; F834-Q836 PolarHBondContact O-N 3.44Å; F834-I837 PolarHBondContact O-N 3.44Å; F834-Y838 VanDerWaalsContact O-CB 3.23Å; F834-Y838 WeakPolarHBondContact O-CB 3.39Å; F834-Y838 PolarHBondContact O-N 2.85Å; F834-I857 HydrophobicContact CD1-CG2 3.82Å; F834-I857 HydrophobicContact CE1-CD1 4.29Å; F834-I857 HydrophobicContact CE1-CG2 3.95Å; F834-L861 HydrophobicContact CD1-CD1 3.97Å; F834-L861 HydrophobicContact CD1-CD2 3.96Å; F834-L861 HydrophobicContact CD1-CG 4.13Å; F834-L861 HydrophobicContact CD2-CD2 4.16Å; F834-L861 HydrophobicContact CE1-CD1 4.2Å; F834-L861 HydrophobicContact CE1-CD2 3.68Å; F834-L861 HydrophobicContact CE1-CG 3.86Å; F834-L861 HydrophobicContact CE2-CD2 3.94Å; F834-L861 HydrophobicContact CG-CD2 4.18Å; F834-L861 HydrophobicContact CZ-CD2 3.68Å; F834-L861 HydrophobicContact CZ-CG 4.3Å |
| 835 | K | 79.4 | Confident | 74 | Confident | 75 Ų | 75 | 31 Ų | 31 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.1 | -35 | 171.7 | -77.8 | 177.7 | 177.5 | 172.9 | 0 | 112.4 | E831 L832 Y838 S839 | E831-K835 HydrophobicContact CG-CD 4.32Å; E831-K835 WeakPolarHBondContact O-CB 2.98Å; E831-K835 WeakPolarHBondContact O-CG 3.45Å; E831-K835 PolarHBondContact O-N 2.95Å; E831-K835 WeakPolarHBondContact OE1-CE 3.36Å; E831-K835 IonicContact OE1-NZ 2.72Å; E831-K835 PolarHBondContact OE1-NZ 3.39Å; L832-K835 HydrophobicContact CD2-CD 4.46Å; L832-K835 PolarHBondContact O-N 3.29Å; K835-Y838 WeakPolarHBondContact O-CB 3.34Å; K835-S839 PolarHBondContact O-N 3.4Å |
| 836 | Q | 78.7 | Confident | 75.4 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 26% | 0.262 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71 | -46.1 | 177.5 | -167.7 | 69 | 15.2 | 0 | 0 | 111.9 | F738 L832 T833 F834 Y838 S839 Y840 | F738-Q836 HydrophobicContact CD1-CG 4.36Å; F738-Q836 HydrophobicContact CE1-CB 3.85Å; F738-Q836 HydrophobicContact CE1-CG 3.88Å; F738-Q836 HydrophobicContact CE2-CG 4.48Å; F738-Q836 HydrophobicContact CZ-CB 3.99Å; F738-Q836 HydrophobicContact CZ-CG 3.94Å; L832-Q836 PolarHBondContact O-N 3.28Å; T833-Q836 PolarHBondContact O-N 2.96Å; F834-Q836 VanDerWaalsContact C-N 3.25Å; F834-Q836 PolarHBondContact O-N 3.44Å; Q836-Y838 VanDerWaalsContact C-N 3.26Å; Q836-Y838 PolarHBondContact O-N 3.2Å; Q836-S839 WeakPolarHBondContact O-CB 3.49Å; Q836-S839 PolarHBondContact O-N 3.06Å; Q836-S839 VanDerWaalsContact O-N 3.13Å; Q836-Y840 HydrophobicContact CG-CE1 4.35Å; Q836-Y840 HydrophobicContact CG-CE2 3.9Å; Q836-Y840 PolarHBondContact NE2-OH 3.3Å; Q836-Y840 VanDerWaalsContact NE2-OH 3.08Å; Q836-Y840 PolarHBondContact O-N 2.79Å |
| 837 | I | 84 | Confident | 76.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.6 | -62.8 | 172.3 | 0 | 0 | 0 | 109.8 | L737 F738 T741 T833 F834 S839 Y840 C841 I853 I857 W943 | L737-I837 HydrophobicContact CD1-CD1 4.21Å; L737-I837 HydrophobicContact CD2-CD1 3.79Å; L737-I837 HydrophobicContact CG-CD1 3.94Å; F738-I837 HydrophobicContact CD1-CG1 4.41Å; F738-I837 HydrophobicContact CE1-CG1 4.3Å; T741-I837 HydrophobicContact CG2-CG2 3.96Å; T833-I837 WeakPolarHBondContact O-CG1 3.34Å; T833-I837 PolarHBondContact O-N 3.11Å; T833-I837 VanDerWaalsContact O-N 3.16Å; F834-I837 PolarHBondContact O-N 3.44Å; I837-S839 VanDerWaalsContact C-N 3.32Å; I837-S839 PolarHBondContact O-N 2.89Å; I837-Y840 PolarHBondContact O-N 2.58Å; I837-Y840 VanDerWaalsContact O-N 3.08Å; I837-C841 PolarHBondContact O-N 3.26Å; I837-I853 HydrophobicContact CG2-CG2 4.45Å; I837-I857 HydrophobicContact CD1-CD1 4.21Å; I837-I857 HydrophobicContact CG2-CD1 4.38Å; I837-I857 HydrophobicContact CG2-CG1 4.2Å; I837-W943 HydrophobicContact CB-CH2 4.42Å; I837-W943 HydrophobicContact CB-CZ2 4.38Å; I837-W943 HydrophobicContact CG2-CH2 3.84Å; I837-W943 HydrophobicContact CG2-CZ2 4.19Å |
| 838 | Y | 85.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.5 | -48 | 174.8 | -175.8 | -95 | 0 | 0 | 0 | 111.5 | F834 K835 Q836 Y840 C841 L842 K942 W943 T946 | F834-Y838 VanDerWaalsContact O-CB 3.23Å; F834-Y838 WeakPolarHBondContact O-CB 3.39Å; F834-Y838 PolarHBondContact O-N 2.85Å; K835-Y838 WeakPolarHBondContact O-CB 3.34Å; Q836-Y838 VanDerWaalsContact C-N 3.26Å; Q836-Y838 PolarHBondContact O-N 3.2Å; Y838-Y840 VanDerWaalsContact C-N 3.32Å; Y838-Y840 PolarHBondContact O-N 2.76Å; Y838-C841 PolarHBondContact O-N 3.37Å; Y838-L842 HydrophobicContact CD1-CD1 3.86Å; Y838-L842 HydrophobicContact CD1-CG 4.11Å; Y838-L842 HydrophobicContact CE1-CD1 3.4Å; Y838-L842 VanDerWaalsContact CE1-CD1 3.4Å; Y838-L842 HydrophobicContact CE1-CD2 4.19Å; Y838-L842 HydrophobicContact CE1-CG 3.86Å; Y838-L842 WeakPolarHBondContact O-CG 3.33Å; Y838-L842 PolarHBondContact O-N 2.69Å; Y838-K942 HydrophobicContact CE2-CD 4.26Å; Y838-K942 HydrophobicContact CE2-CG 3.95Å; Y838-K942 WeakPolarHBondContact OH-CE 3.46Å; Y838-W943 VanDerWaalsContact CA-CH2 3.45Å; Y838-W943 HydrophobicContact CD2-CD2 4.18Å; Y838-W943 AromaticContact CD2-CE2 3.95Å; Y838-W943 HydrophobicContact CD2-CE3 4.35Å; Y838-W943 HydrophobicContact CD2-CH2 4.14Å; Y838-W943 AromaticContact CD2-CZ2 3.95Å; Y838-W943 HydrophobicContact CD2-CZ2 3.95Å; Y838-W943 HydrophobicContact CD2-CZ3 4.32Å; Y838-W943 HydrophobicContact CG-CZ2 4.3Å; Y838-T946 HydrophobicContact CD2-CG2 4.28Å; Y838-T946 HydrophobicContact CE2-CG2 3.19Å; Y838-T946 WeakPolarHBondContact OH-CG2 3.48Å |
| 839 | S | 82.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 26.3 Ų | 26.3 | 19% | 0.189 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 175.2 | -167.8 | 0 | 0 | 0 | 0 | 112.4 | K835 Q836 I837 C841 L842 D843 R986 | K835-S839 PolarHBondContact O-N 3.4Å; Q836-S839 WeakPolarHBondContact O-CB 3.49Å; Q836-S839 PolarHBondContact O-N 3.06Å; Q836-S839 VanDerWaalsContact O-N 3.13Å; I837-S839 VanDerWaalsContact C-N 3.32Å; I837-S839 PolarHBondContact O-N 2.89Å; S839-C841 PolarHBondContact O-N 2.85Å; S839-L842 PolarHBondContact O-N 2.87Å; S839-D843 PolarHBondContact O-N 2.96Å; S839-D843 VanDerWaalsContact O-N 3.13Å; S839-D843 PolarHBondContact OG-OD2 2.78Å; S839-R986 PolarHBondContact OG-NH2 2.74Å |
| 840 | Y | 85.5 | Confident | 80.6 | Confident | 17 Ų | 17 | 25.4 Ų | 25.4 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 179 | -62.2 | -29.8 | 0 | 0 | 0 | 112.6 | F738 T741 L742 L745 Q836 I837 Y838 L842 D843 S844 | F738-Y840 HydrophobicContact CB-CE2 4.04Å; F738-Y840 AromaticContact CD1-CE2 3.94Å; F738-Y840 HydrophobicContact CD1-CE2 3.94Å; F738-Y840 HydrophobicContact CG-CE2 4.11Å; T741-Y840 HydrophobicContact CG2-CD2 4.22Å; L742-Y840 HydrophobicContact CD1-CE1 4.49Å; L742-Y840 HydrophobicContact CD1-CE2 4.14Å; L742-Y840 HydrophobicContact CD2-CD1 3.94Å; L742-Y840 HydrophobicContact CD2-CD2 4.04Å; L742-Y840 HydrophobicContact CD2-CE1 4.33Å; L742-Y840 HydrophobicContact CD2-CE2 4.41Å; L742-Y840 HydrophobicContact CD2-CG 3.79Å; L742-Y840 HydrophobicContact CG-CD2 4Å; L742-Y840 HydrophobicContact CG-CE2 4.08Å; L742-Y840 HydrophobicContact CG-CG 4.28Å; L745-Y840 WeakPolarHBondContact CD1-O 3.32Å; Q836-Y840 HydrophobicContact CG-CE1 4.35Å; Q836-Y840 HydrophobicContact CG-CE2 3.9Å; Q836-Y840 PolarHBondContact NE2-OH 3.3Å; Q836-Y840 VanDerWaalsContact NE2-OH 3.08Å; Q836-Y840 PolarHBondContact O-N 2.79Å; I837-Y840 PolarHBondContact O-N 2.58Å; I837-Y840 VanDerWaalsContact O-N 3.08Å; Y838-Y840 VanDerWaalsContact C-N 3.32Å; Y838-Y840 PolarHBondContact O-N 2.76Å; Y840-L842 VanDerWaalsContact C-N 3.35Å; Y840-D843 PolarHBondContact O-N 2.75Å; Y840-S844 PolarHBondContact O-N 2.76Å |
| 841 | C | 86.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | I837 Y838 S839 D843 S844 | I837-C841 PolarHBondContact O-N 3.26Å; Y838-C841 PolarHBondContact O-N 3.37Å; S839-C841 PolarHBondContact O-N 2.85Å; C841-D843 VanDerWaalsContact C-N 3.28Å; C841-D843 PolarHBondContact O-N 2.84Å; C841-S844 PolarHBondContact O-N 2.81Å |
| 842 | L | 83.4 | Confident | 82.3 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 176.7 | -69.4 | -170.7 | 0 | 0 | 0 | 112.8 | Y838 S839 Y840 L985 R986 L989 | Y838-L842 HydrophobicContact CD1-CD1 3.86Å; Y838-L842 HydrophobicContact CD1-CG 4.11Å; Y838-L842 HydrophobicContact CE1-CD1 3.4Å; Y838-L842 VanDerWaalsContact CE1-CD1 3.4Å; Y838-L842 HydrophobicContact CE1-CD2 4.19Å; Y838-L842 HydrophobicContact CE1-CG 3.86Å; Y838-L842 WeakPolarHBondContact O-CG 3.33Å; Y838-L842 PolarHBondContact O-N 2.69Å; S839-L842 PolarHBondContact O-N 2.87Å; Y840-L842 VanDerWaalsContact C-N 3.35Å; L842-L985 HydrophobicContact CD2-CB 4.08Å; L842-L985 HydrophobicContact CD2-CD2 3.35Å; L842-L985 HydrophobicContact CD2-CG 3.54Å; L842-L985 PolarHBondContact O-N 3.07Å; L842-R986 HydrophobicContact CB-CB 4.19Å; L842-R986 WeakPolarHBondContact O-CB 3.33Å; L842-R986 PolarHBondContact O-N 2.96Å; L842-L989 HydrophobicContact CD1-CD1 4.12Å; L842-L989 HydrophobicContact CD2-CD1 3.69Å |
| 843 | D | 80.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 21.1 Ų | 21.1 | 21% | 0.209 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3 | -173.6 | -57.8 | -27.1 | 0 | 0 | 0 | 112.9 | S839 Y840 C841 N984 R986 | S839-D843 PolarHBondContact O-N 2.96Å; S839-D843 VanDerWaalsContact O-N 3.13Å; S839-D843 PolarHBondContact OG-OD2 2.78Å; Y840-D843 PolarHBondContact O-N 2.75Å; C841-D843 VanDerWaalsContact C-N 3.28Å; C841-D843 PolarHBondContact O-N 2.84Å; D843-N984 PolarHBondContact O-ND2 3.47Å; D843-R986 IonicContact OD1-CZ 3.93Å; D843-R986 IonicContact OD1-NE 3.24Å; D843-R986 PolarHBondContact OD1-NE 2.96Å; D843-R986 IonicContact OD1-NH2 3.4Å; D843-R986 PolarHBondContact OD1-NH2 3.36Å; D843-R986 IonicContact OD2-NH2 3.62Å; D843-R986 PolarHBondContact OD2-NH2 2.76Å |
| 844 | S | 82.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | trans | -78.8 | 135.2 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 113 | L745 Y840 C841 H846 N984 | L745-S844 PolarHBondContact O-OG 3.38Å; Y840-S844 PolarHBondContact O-N 2.76Å; C841-S844 PolarHBondContact O-N 2.81Å; S844-H846 PolarHBondContact OG-N 2.72Å; S844-H846 PolarHBondContact OG-O 3.22Å; S844-N984 WeakPolarHBondContact O-CB 3.28Å | ||
| 845 | Y | 80.2 | Confident | 84.4 | Confident | 85 Ų | 85 | 21.2 Ų | 21.2 | 33% | 0.333 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -87.7 | -17.8 | 170.7 | -63.4 | -79.9 | 0 | 0 | 0 | 112.9 | L847 Y982 N984 | Y845-L847 PolarHBondContact O-N 3.33Å; Y845-L847 VanDerWaalsContact O-N 3.17Å; Y845-Y982 HydrophobicContact CD1-CD1 4.4Å; Y845-Y982 HydrophobicContact CG-CD1 4.43Å; Y845-N984 HydrophobicContact CD1-CB 4.22Å; Y845-N984 HydrophobicContact CE1-CB 4.4Å |
| 846 | H | 81.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 17.6 Ų | 17.6 | 28% | 0.282 | 8% | 0.083 | S | C | . | . | trans | -84.6 | 87.5 | 173.6 | -62.3 | -70.7 | 0 | 0 | 0 | 108.5 | L745 N746 D748 S844 S848 S849 A850 | L745-H846 WeakPolarHBondContact O-CB 3.47Å; L745-H846 PolarHBondContact O-CD2 3.14Å; N746-H846 PolarHBondContact O-NE2 2.76Å; D748-H846 IonicContact OD1-ND1 3.86Å; D748-H846 IonicContact OD2-CE1 3.33Å; D748-H846 IonicContact OD2-CG 2.67Å; D748-H846 IonicContact OD2-ND1 3.68Å; D748-H846 PolarHBondContact OD2-ND1 2.9Å; S844-H846 PolarHBondContact OG-N 2.72Å; S844-H846 PolarHBondContact OG-O 3.22Å; H846-S848 VanDerWaalsContact C-N 3.28Å; H846-S848 PolarHBondContact O-N 3.17Å; H846-S849 WeakPolarHBondContact CB-OG 3.39Å; H846-S849 PolarHBondContact O-N 2.83Å; H846-S849 PolarHBondContact O-OG 3.47Å; H846-A850 WeakPolarHBondContact O-CB 3.35Å; H846-A850 PolarHBondContact O-N 3.32Å | ||
| 847 | L | 83.1 | Confident | 85.4 | Confident | 17 Ų | 17 | 15 Ų | 15 | 9% | 0.089 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.3 | -31.7 | -172.1 | -61.8 | 173.5 | 0 | 0 | 0 | 112.5 | Y845 Y851 L950 I953 L954 F983 | Y845-L847 PolarHBondContact O-N 3.33Å; Y845-L847 VanDerWaalsContact O-N 3.17Å; L847-Y851 VanDerWaalsContact O-CB 3.31Å; L847-Y851 WeakPolarHBondContact O-CB 3.42Å; L847-Y851 PolarHBondContact O-N 3.48Å; L847-L950 HydrophobicContact CD2-CD2 4.4Å; L847-I953 HydrophobicContact CD1-CB 4.43Å; L847-I953 HydrophobicContact CD1-CG2 3.38Å; L847-I953 HydrophobicContact CD2-CG2 3.71Å; L847-I953 HydrophobicContact CG-CG2 4.18Å; L847-L954 HydrophobicContact CB-CB 4.22Å; L847-L954 HydrophobicContact CB-CD1 4.28Å; L847-L954 HydrophobicContact CB-CG 4.45Å; L847-F983 HydrophobicContact CD1-CE2 4.45Å; L847-F983 HydrophobicContact CD1-CZ 4.33Å |
| 848 | S | 82.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.6 | -51.3 | 178.3 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | Y632 D748 N749 H846 A850 Y851 L852 | Y632-S848 PolarHBondContact OH-O 3.03Å; D748-S848 WeakPolarHBondContact CA-OG 3.22Å; D748-S848 WeakPolarHBondContact CB-OG 3.29Å; D748-S848 PolarHBondContact OD1-OG 3.34Å; N749-S848 PolarHBondContact N-OG 3Å; H846-S848 VanDerWaalsContact C-N 3.28Å; H846-S848 PolarHBondContact O-N 3.17Å; S848-A850 PolarHBondContact O-N 3.22Å; S848-Y851 PolarHBondContact O-N 3.32Å; S848-L852 PolarHBondContact O-N 3.24Å |
| 849 | S | 85.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 178.5 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | M744 E747 H846 Y851 L852 I853 | M744-S849 WeakPolarHBondContact O-CB 3.35Å; M744-S849 PolarHBondContact O-OG 2.93Å; E747-S849 WeakPolarHBondContact O-CB 3.4Å; E747-S849 PolarHBondContact O-OG 3.45Å; H846-S849 WeakPolarHBondContact CB-OG 3.39Å; H846-S849 PolarHBondContact O-N 2.83Å; H846-S849 PolarHBondContact O-OG 3.47Å; S849-Y851 VanDerWaalsContact C-N 3.34Å; S849-Y851 PolarHBondContact O-N 3.19Å; S849-L852 PolarHBondContact O-N 3.06Å; S849-I853 VanDerWaalsContact O-CG1 3.31Å; S849-I853 WeakPolarHBondContact O-CG1 3.34Å; S849-I853 PolarHBondContact O-N 3.4Å |
| 850 | A | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L745 H846 S848 A854 L950 | L745-A850 VanDerWaalsContact CD2-CA 3.5Å; L745-A850 HydrophobicContact CD2-CB 3.86Å; H846-A850 WeakPolarHBondContact O-CB 3.35Å; H846-A850 PolarHBondContact O-N 3.32Å; S848-A850 PolarHBondContact O-N 3.22Å; A850-A854 VanDerWaalsContact O-CB 3.3Å; A850-A854 WeakPolarHBondContact O-CB 3.32Å; A850-A854 PolarHBondContact O-N 3.27Å; A850-L950 HydrophobicContact CB-CD1 4.18Å; A850-L950 HydrophobicContact CB-CD2 4.07Å |
| 851 | Y | 88.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 12.8 Ų | 12.8 | 5% | 0.051 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.8 | 178.8 | -120.1 | 0 | 0 | 0 | 111.8 | L631 Y632 L847 S848 S849 I853 A854 L855 C947 L950 E951 | L631-Y851 HydrophobicContact CD2-CE1 4.48Å; Y632-Y851 AromaticContact CE2-CD1 3.85Å; Y632-Y851 HydrophobicContact CE2-CD1 3.85Å; Y632-Y851 HydrophobicContact CE2-CE1 4.13Å; L847-Y851 VanDerWaalsContact O-CB 3.31Å; L847-Y851 WeakPolarHBondContact O-CB 3.42Å; L847-Y851 PolarHBondContact O-N 3.48Å; S848-Y851 PolarHBondContact O-N 3.32Å; S849-Y851 VanDerWaalsContact C-N 3.34Å; S849-Y851 PolarHBondContact O-N 3.19Å; Y851-I853 PolarHBondContact O-N 2.93Å; Y851-A854 PolarHBondContact O-N 3.34Å; Y851-L855 HydrophobicContact CD1-CD1 4.1Å; Y851-L855 HydrophobicContact CD2-CG 4.42Å; Y851-L855 HydrophobicContact CE1-CD1 3.61Å; Y851-L855 HydrophobicContact CE1-CG 4.34Å; Y851-L855 HydrophobicContact CE2-CD1 4.18Å; Y851-L855 HydrophobicContact CE2-CD2 4.17Å; Y851-L855 HydrophobicContact CE2-CG 4.03Å; Y851-L855 WeakPolarHBondContact O-CG 3.49Å; Y851-L855 PolarHBondContact O-N 3.28Å; Y851-C947 HydrophobicContact CE2-CB 4.15Å; Y851-C947 WeakPolarHBondContact CE2-O 3.36Å; Y851-L950 HydrophobicContact CD2-CB 4.17Å; Y851-E951 HydrophobicContact CD2-CB 4.26Å; Y851-E951 HydrophobicContact CE2-CB 3.86Å; Y851-E951 HydrophobicContact CE2-CG 4.21Å |
| 852 | L | 86.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 176.9 | -160.6 | 158.5 | 0 | 0 | 0 | 111.7 | Y632 L753 I757 I760 S848 S849 A854 L855 V856 | Y632-L852 HydrophobicContact CE1-CD1 4.25Å; Y632-L852 WeakPolarHBondContact OH-CB 3.21Å; L753-L852 HydrophobicContact CD1-CD1 3.47Å; L753-L852 VanDerWaalsContact CD1-CD1 3.47Å; L753-L852 HydrophobicContact CD1-CG 3.93Å; I757-L852 HydrophobicContact CG1-CD2 4.29Å; I760-L852 HydrophobicContact CB-CD2 4.42Å; I760-L852 HydrophobicContact CD1-CD1 4.3Å; I760-L852 HydrophobicContact CD1-CD2 3.36Å; I760-L852 HydrophobicContact CD1-CG 4.5Å; I760-L852 HydrophobicContact CG1-CD2 4.46Å; I760-L852 HydrophobicContact CG2-CD2 4.22Å; S848-L852 PolarHBondContact O-N 3.24Å; S849-L852 PolarHBondContact O-N 3.06Å; L852-A854 VanDerWaalsContact C-N 3.33Å; L852-A854 PolarHBondContact O-N 2.79Å; L852-L855 WeakPolarHBondContact O-CB 3.31Å; L852-L855 PolarHBondContact O-N 3.25Å; L852-V856 HydrophobicContact CD2-CG2 4.1Å; L852-V856 WeakPolarHBondContact O-CG2 3.44Å; L852-V856 PolarHBondContact O-N 3.13Å; L852-V856 VanDerWaalsContact O-N 3.08Å |
| 853 | I | 89.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 178.9 | -66.7 | 172.2 | 0 | 0 | 0 | 110.4 | T741 M744 L745 Y764 I837 S849 Y851 L855 V856 I857 | T741-I853 HydrophobicContact CG2-CD1 4.33Å; T741-I853 HydrophobicContact CG2-CG2 4.4Å; M744-I853 HydrophobicContact CB-CD1 3.57Å; M744-I853 HydrophobicContact CB-CG1 4.21Å; L745-I853 HydrophobicContact CD1-CD1 4.49Å; L745-I853 HydrophobicContact CD2-CD1 3.56Å; L745-I853 HydrophobicContact CG-CD1 3.56Å; Y764-I853 HydrophobicContact CE2-CG2 4.29Å; Y764-I853 WeakPolarHBondContact OH-CG2 3.49Å; I837-I853 HydrophobicContact CG2-CG2 4.45Å; S849-I853 VanDerWaalsContact O-CG1 3.31Å; S849-I853 WeakPolarHBondContact O-CG1 3.34Å; S849-I853 PolarHBondContact O-N 3.4Å; Y851-I853 PolarHBondContact O-N 2.93Å; I853-L855 VanDerWaalsContact C-N 3.32Å; I853-L855 PolarHBondContact O-N 2.99Å; I853-V856 PolarHBondContact O-N 3.24Å; I853-I857 HydrophobicContact CG2-CG1 4.05Å; I853-I857 WeakPolarHBondContact O-CB 3.46Å; I853-I857 VanDerWaalsContact O-CG1 3.26Å; I853-I857 WeakPolarHBondContact O-CG1 3.38Å; I853-I857 PolarHBondContact O-N 2.9Å |
| 854 | A | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A850 Y851 L852 R858 W943 C947 L950 | A850-A854 VanDerWaalsContact O-CB 3.3Å; A850-A854 WeakPolarHBondContact O-CB 3.32Å; A850-A854 PolarHBondContact O-N 3.27Å; Y851-A854 PolarHBondContact O-N 3.34Å; L852-A854 VanDerWaalsContact C-N 3.33Å; L852-A854 PolarHBondContact O-N 2.79Å; A854-R858 WeakPolarHBondContact O-CB 3.35Å; A854-R858 PolarHBondContact O-N 2.79Å; A854-W943 HydrophobicContact CB-CE3 4.01Å; A854-W943 HydrophobicContact CB-CZ3 3.94Å; A854-C947 VanDerWaalsContact C-SG 3.54Å; A854-L950 HydrophobicContact CB-CD1 3.87Å |
| 855 | L | 88.3 | Confident | 86.1 | Confident | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.047 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 174.8 | -75.8 | 173.6 | 0 | 0 | 0 | 112.1 | L618 Y851 L852 I853 R858 C859 | L618-L855 HydrophobicContact CD1-CD1 4.31Å; L618-L855 HydrophobicContact CD2-CB 4.26Å; Y851-L855 HydrophobicContact CD1-CD1 4.1Å; Y851-L855 HydrophobicContact CD2-CG 4.42Å; Y851-L855 HydrophobicContact CE1-CD1 3.61Å; Y851-L855 HydrophobicContact CE1-CG 4.34Å; Y851-L855 HydrophobicContact CE2-CD1 4.18Å; Y851-L855 HydrophobicContact CE2-CD2 4.17Å; Y851-L855 HydrophobicContact CE2-CG 4.03Å; Y851-L855 WeakPolarHBondContact O-CG 3.49Å; Y851-L855 PolarHBondContact O-N 3.28Å; L852-L855 WeakPolarHBondContact O-CB 3.31Å; L852-L855 PolarHBondContact O-N 3.25Å; I853-L855 VanDerWaalsContact C-N 3.32Å; I853-L855 PolarHBondContact O-N 2.99Å; L855-R858 PolarHBondContact O-N 3.28Å; L855-C859 WeakPolarHBondContact O-CB 3.29Å; L855-C859 PolarHBondContact O-N 2.93Å |
| 856 | V | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I757 I760 H761 Y764 L852 I853 C859 I860 | I757-V856 HydrophobicContact CG1-CG2 3.78Å; I760-V856 HydrophobicContact CG2-CB 4.35Å; I760-V856 HydrophobicContact CG2-CG1 4.22Å; I760-V856 HydrophobicContact CG2-CG2 4.02Å; H761-V856 HydrophobicContact CB-CG1 4.17Å; Y764-V856 HydrophobicContact CD2-CG1 3.77Å; Y764-V856 HydrophobicContact CG-CG1 4.45Å; L852-V856 HydrophobicContact CD2-CG2 4.1Å; L852-V856 WeakPolarHBondContact O-CG2 3.44Å; L852-V856 PolarHBondContact O-N 3.13Å; L852-V856 VanDerWaalsContact O-N 3.08Å; I853-V856 PolarHBondContact O-N 3.24Å; V856-C859 WeakPolarHBondContact O-CB 3.35Å; V856-C859 PolarHBondContact O-N 2.52Å; V856-I860 HydrophobicContact CG1-CD1 3.72Å; V856-I860 HydrophobicContact CG1-CG1 4.39Å; V856-I860 WeakPolarHBondContact O-CG1 3.17Å; V856-I860 PolarHBondContact O-N 3.01Å |
| 857 | I | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 178.6 | -66.9 | -66.8 | 0 | 0 | 0 | 111.4 | Y764 F834 I837 I853 C859 I860 L861 W943 | Y764-I857 HydrophobicContact CD1-CD1 3.76Å; Y764-I857 HydrophobicContact CD2-CD1 4.49Å; Y764-I857 HydrophobicContact CE1-CD1 3.77Å; Y764-I857 HydrophobicContact CE2-CD1 4.48Å; Y764-I857 HydrophobicContact CG-CD1 4.16Å; F834-I857 HydrophobicContact CD1-CG2 3.82Å; F834-I857 HydrophobicContact CE1-CD1 4.29Å; F834-I857 HydrophobicContact CE1-CG2 3.95Å; I837-I857 HydrophobicContact CD1-CD1 4.21Å; I837-I857 HydrophobicContact CG2-CD1 4.38Å; I837-I857 HydrophobicContact CG2-CG1 4.2Å; I853-I857 HydrophobicContact CG2-CG1 4.05Å; I853-I857 WeakPolarHBondContact O-CB 3.46Å; I853-I857 VanDerWaalsContact O-CG1 3.26Å; I853-I857 WeakPolarHBondContact O-CG1 3.38Å; I853-I857 PolarHBondContact O-N 2.9Å; I857-C859 VanDerWaalsContact C-N 3.32Å; I857-C859 PolarHBondContact O-N 3.05Å; I857-I860 PolarHBondContact O-N 2.89Å; I857-L861 HydrophobicContact CG2-CD1 3.87Å; I857-L861 HydrophobicContact CG2-CG 4.36Å; I857-L861 WeakPolarHBondContact O-CB 3.1Å; I857-L861 WeakPolarHBondContact O-CG 3.26Å; I857-L861 PolarHBondContact O-N 3.3Å; I857-W943 HydrophobicContact CB-CE3 4.42Å; I857-W943 HydrophobicContact CB-CH2 4.46Å; I857-W943 HydrophobicContact CB-CZ3 4.41Å; I857-W943 HydrophobicContact CG2-CD2 3.77Å; I857-W943 HydrophobicContact CG2-CE3 4.14Å; I857-W943 HydrophobicContact CG2-CG 4.28Å; I857-W943 HydrophobicContact CG2-CH2 4.05Å; I857-W943 HydrophobicContact CG2-CZ2 3.67Å; I857-W943 HydrophobicContact CG2-CZ3 4.28Å |
| 858 | R | 90.2 | Very high | 85.4 | Confident | 27 Ų | 27 | 13 Ų | 13 | 10% | 0.102 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 174 | -176.9 | -170.4 | 66.5 | 72.7 | 3.3 | 110.8 | L618 A854 L855 L861 F862 W943 | L618-R858 PolarHBondContact O-NH2 3.49Å; A854-R858 WeakPolarHBondContact O-CB 3.35Å; A854-R858 PolarHBondContact O-N 2.79Å; L855-R858 PolarHBondContact O-N 3.28Å; R858-L861 PolarHBondContact O-N 3.03Å; R858-F862 VanDerWaalsContact O-CB 3.29Å; R858-F862 WeakPolarHBondContact O-CB 3Å; R858-F862 PolarHBondContact O-N 3.48Å; R858-W943 HydrophobicContact CB-CB 4.15Å; R858-W943 HydrophobicContact CG-CB 4.41Å |
| 859 | C | 88 | Confident | 85 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 178.4 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | L617 L618 L855 V856 I857 L861 F862 Q863 | L617-C859 PolarHBondContact O-SG 3.13Å; L618-C859 HydrophobicContact CD2-CB 4.37Å; L855-C859 WeakPolarHBondContact O-CB 3.29Å; L855-C859 PolarHBondContact O-N 2.93Å; V856-C859 WeakPolarHBondContact O-CB 3.35Å; V856-C859 PolarHBondContact O-N 2.52Å; I857-C859 VanDerWaalsContact C-N 3.32Å; I857-C859 PolarHBondContact O-N 3.05Å; C859-L861 VanDerWaalsContact C-N 3.34Å; C859-L861 PolarHBondContact O-N 2.78Å; C859-F862 WeakPolarHBondContact O-CB 3.24Å; C859-F862 PolarHBondContact O-N 3.2Å; C859-F862 VanDerWaalsContact O-N 3.16Å; C859-Q863 WeakPolarHBondContact O-CG 3.32Å; C859-Q863 PolarHBondContact O-N 3.12Å; C859-Q863 PolarHBondContact SG-NE2 2.89Å |
| 860 | I | 87.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 179.6 | -67.6 | 169.8 | 0 | 0 | 0 | 111.1 | Y764 I768 V856 I857 F862 Q863 I864 | Y764-I860 HydrophobicContact CG-CD1 4.3Å; I768-I860 HydrophobicContact CD1-CD1 4.38Å; I768-I860 HydrophobicContact CD1-CG2 3.79Å; V856-I860 HydrophobicContact CG1-CD1 3.72Å; V856-I860 HydrophobicContact CG1-CG1 4.39Å; V856-I860 WeakPolarHBondContact O-CG1 3.17Å; V856-I860 PolarHBondContact O-N 3.01Å; I857-I860 PolarHBondContact O-N 2.89Å; I860-F862 VanDerWaalsContact C-N 3.33Å; I860-F862 PolarHBondContact O-N 3.36Å; I860-Q863 PolarHBondContact O-N 3.4Å; I860-I864 HydrophobicContact CG2-CD1 3.79Å; I860-I864 HydrophobicContact CG2-CG1 4.39Å; I860-I864 WeakPolarHBondContact O-CB 3.32Å; I860-I864 WeakPolarHBondContact O-CG1 3.37Å; I860-I864 PolarHBondContact O-N 3.43Å |
| 861 | L | 86.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 176.1 | -75.6 | 172.2 | 0 | 0 | 0 | 112.3 | F834 I857 R858 C859 I864 W865 L936 L939 V940 W943 | F834-L861 HydrophobicContact CD1-CD1 3.97Å; F834-L861 HydrophobicContact CD1-CD2 3.96Å; F834-L861 HydrophobicContact CD1-CG 4.13Å; F834-L861 HydrophobicContact CD2-CD2 4.16Å; F834-L861 HydrophobicContact CE1-CD1 4.2Å; F834-L861 HydrophobicContact CE1-CD2 3.68Å; F834-L861 HydrophobicContact CE1-CG 3.86Å; F834-L861 HydrophobicContact CE2-CD2 3.94Å; F834-L861 HydrophobicContact CG-CD2 4.18Å; F834-L861 HydrophobicContact CZ-CD2 3.68Å; F834-L861 HydrophobicContact CZ-CG 4.3Å; I857-L861 HydrophobicContact CG2-CD1 3.87Å; I857-L861 HydrophobicContact CG2-CG 4.36Å; I857-L861 WeakPolarHBondContact O-CB 3.1Å; I857-L861 WeakPolarHBondContact O-CG 3.26Å; I857-L861 PolarHBondContact O-N 3.3Å; R858-L861 PolarHBondContact O-N 3.03Å; C859-L861 VanDerWaalsContact C-N 3.34Å; C859-L861 PolarHBondContact O-N 2.78Å; L861-I864 PolarHBondContact O-N 2.65Å; L861-W865 WeakPolarHBondContact O-CB 3.32Å; L861-W865 PolarHBondContact O-N 3.16Å; L861-L936 HydrophobicContact CD2-CD2 4.06Å; L861-L939 HydrophobicContact CD1-CB 4.42Å; L861-V940 HydrophobicContact CB-CG2 3.84Å; L861-W943 HydrophobicContact CD1-CG 3.99Å |
| 862 | F | 85.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 176 | -179.1 | -104.3 | 0 | 0 | 0 | 111.8 | C619 R858 C859 I860 W865 Q866 V940 | C619-F862 HydrophobicContact CB-CD1 3.86Å; C619-F862 HydrophobicContact CB-CE1 3.97Å; R858-F862 VanDerWaalsContact O-CB 3.29Å; R858-F862 WeakPolarHBondContact O-CB 3Å; R858-F862 PolarHBondContact O-N 3.48Å; C859-F862 WeakPolarHBondContact O-CB 3.24Å; C859-F862 PolarHBondContact O-N 3.2Å; C859-F862 VanDerWaalsContact O-N 3.16Å; I860-F862 VanDerWaalsContact C-N 3.33Å; I860-F862 PolarHBondContact O-N 3.36Å; F862-W865 AromaticContact CD2-CE3 3.81Å; F862-W865 HydrophobicContact CD2-CE3 3.81Å; F862-W865 HydrophobicContact CD2-CZ3 4.15Å; F862-W865 AromaticContact CE2-CE3 3.77Å; F862-W865 HydrophobicContact CE2-CE3 3.77Å; F862-W865 AromaticContact CE2-CZ3 3.65Å; F862-W865 HydrophobicContact CE2-CZ3 3.65Å; F862-W865 HydrophobicContact CZ-CZ3 4.5Å; F862-W865 WeakPolarHBondContact O-CB 3.46Å; F862-W865 PolarHBondContact O-N 2.89Å; F862-Q866 HydrophobicContact CD1-CG 4.36Å; F862-Q866 HydrophobicContact CE1-CG 4.01Å; F862-Q866 HydrophobicContact CZ-CG 4.1Å; F862-Q866 WeakPolarHBondContact O-CG 3.43Å; F862-Q866 PolarHBondContact O-N 3.23Å; F862-V940 HydrophobicContact CB-CG1 4.44Å; F862-V940 HydrophobicContact CD2-CG1 4.19Å |
| 863 | Q | 81.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 173.9 | -72.1 | 172.9 | 1.5 | 0 | 0 | 111.1 | H761 C859 I860 W865 Q866 T867 | H761-Q863 PolarHBondContact NE2-NE2 2.94Å; C859-Q863 WeakPolarHBondContact O-CG 3.32Å; C859-Q863 PolarHBondContact O-N 3.12Å; C859-Q863 PolarHBondContact SG-NE2 2.89Å; I860-Q863 PolarHBondContact O-N 3.4Å; Q863-W865 VanDerWaalsContact C-N 3.28Å; Q863-W865 PolarHBondContact O-N 3.02Å; Q863-Q866 PolarHBondContact O-N 3.27Å; Q863-T867 WeakPolarHBondContact O-CG2 3.47Å; Q863-T867 PolarHBondContact O-N 3.35Å; Q863-T867 PolarHBondContact O-OG1 3.24Å |
| 864 | I | 81.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.5 | -48.4 | 175.1 | -71.8 | 167.8 | 0 | 0 | 0 | 109.3 | I768 F830 I860 L861 Q866 T867 F868 L936 | I768-I864 HydrophobicContact CG2-CD1 4.43Å; F830-I864 HydrophobicContact CZ-CD1 4.31Å; I860-I864 HydrophobicContact CG2-CD1 3.79Å; I860-I864 HydrophobicContact CG2-CG1 4.39Å; I860-I864 WeakPolarHBondContact O-CB 3.32Å; I860-I864 WeakPolarHBondContact O-CG1 3.37Å; I860-I864 PolarHBondContact O-N 3.43Å; L861-I864 PolarHBondContact O-N 2.65Å; I864-Q866 PolarHBondContact O-N 3.4Å; I864-T867 WeakPolarHBondContact CA-OG1 3.5Å; I864-T867 PolarHBondContact O-N 3Å; I864-T867 PolarHBondContact O-OG1 2.86Å; I864-F868 HydrophobicContact CG2-CD2 3.69Å; I864-F868 HydrophobicContact CG2-CE2 3.42Å; I864-F868 VanDerWaalsContact CG2-CE2 3.42Å; I864-F868 WeakPolarHBondContact O-CD2 3.22Å; I864-F868 PolarHBondContact O-N 3.49Å; I864-L936 HydrophobicContact CG2-CD1 4.03Å; I864-L936 HydrophobicContact CG2-CD2 4.16Å |
| 865 | W | 81 | Confident | 80.9 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.7 | 179.3 | 65.9 | 0 | 0 | 0 | 113.3 | L861 F862 Q863 T867 F868 E869 L936 V940 | L861-W865 WeakPolarHBondContact O-CB 3.32Å; L861-W865 PolarHBondContact O-N 3.16Å; F862-W865 AromaticContact CD2-CE3 3.81Å; F862-W865 HydrophobicContact CD2-CE3 3.81Å; F862-W865 HydrophobicContact CD2-CZ3 4.15Å; F862-W865 AromaticContact CE2-CE3 3.77Å; F862-W865 HydrophobicContact CE2-CE3 3.77Å; F862-W865 AromaticContact CE2-CZ3 3.65Å; F862-W865 HydrophobicContact CE2-CZ3 3.65Å; F862-W865 HydrophobicContact CZ-CZ3 4.5Å; F862-W865 WeakPolarHBondContact O-CB 3.46Å; F862-W865 PolarHBondContact O-N 2.89Å; Q863-W865 VanDerWaalsContact C-N 3.28Å; Q863-W865 PolarHBondContact O-N 3.02Å; W865-T867 PolarHBondContact O-N 2.98Å; W865-F868 WeakPolarHBondContact O-CB 3.35Å; W865-F868 PolarHBondContact O-N 3.12Å; W865-E869 VanDerWaalsContact CZ2-OE1 3.23Å; W865-E869 WeakPolarHBondContact CZ2-OE1 3.4Å; W865-E869 PolarHBondContact O-N 3.11Å; W865-E869 VanDerWaalsContact O-N 3.08Å; W865-L936 HydrophobicContact CB-CB 4.49Å; W865-V940 HydrophobicContact CB-CG2 4.48Å |
| 866 | Q | 80.9 | Confident | 80.4 | Confident | 89 Ų | 89 | 40.9 Ų | 40.9 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.9 | -40 | 175.3 | -74.7 | -172.1 | -28.4 | 0 | 0 | 113 | F862 Q863 I864 F868 E869 S870 | F862-Q866 HydrophobicContact CD1-CG 4.36Å; F862-Q866 HydrophobicContact CE1-CG 4.01Å; F862-Q866 HydrophobicContact CZ-CG 4.1Å; F862-Q866 WeakPolarHBondContact O-CG 3.43Å; F862-Q866 PolarHBondContact O-N 3.23Å; Q863-Q866 PolarHBondContact O-N 3.27Å; I864-Q866 PolarHBondContact O-N 3.4Å; Q866-F868 VanDerWaalsContact C-N 3.26Å; Q866-F868 PolarHBondContact O-N 3.01Å; Q866-E869 PolarHBondContact O-N 3.24Å; Q866-E869 VanDerWaalsContact O-N 3.13Å; Q866-S870 PolarHBondContact O-N 3.31Å; Q866-S870 PolarHBondContact O-OG 2.79Å |
| 867 | T | 76.9 | Confident | 79.9 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -30.2 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | Q863 I864 W865 S870 E871 E872 I874 V877 | Q863-T867 WeakPolarHBondContact O-CG2 3.47Å; Q863-T867 PolarHBondContact O-N 3.35Å; Q863-T867 PolarHBondContact O-OG1 3.24Å; I864-T867 WeakPolarHBondContact CA-OG1 3.5Å; I864-T867 PolarHBondContact O-N 3Å; I864-T867 PolarHBondContact O-OG1 2.86Å; W865-T867 PolarHBondContact O-N 2.98Å; T867-S870 WeakPolarHBondContact CA-OG 3.22Å; T867-S870 PolarHBondContact O-OG 3.18Å; T867-E871 PolarHBondContact O-N 3.36Å; T867-E872 PolarHBondContact O-N 3.16Å; T867-I874 WeakPolarHBondContact OG1-CG1 3.23Å; T867-V877 HydrophobicContact CG2-CB 3.97Å; T867-V877 HydrophobicContact CG2-CG1 3.79Å; T867-V877 HydrophobicContact CG2-CG2 3.73Å |
| 868 | F | 73.8 | Confident | 79.4 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 168.7 | -81.7 | -72.9 | 0 | 0 | 0 | 109.9 | I864 W865 Q866 S870 E871 I874 F929 L932 L936 | I864-F868 HydrophobicContact CG2-CD2 3.69Å; I864-F868 HydrophobicContact CG2-CE2 3.42Å; I864-F868 VanDerWaalsContact CG2-CE2 3.42Å; I864-F868 WeakPolarHBondContact O-CD2 3.22Å; I864-F868 PolarHBondContact O-N 3.49Å; W865-F868 WeakPolarHBondContact O-CB 3.35Å; W865-F868 PolarHBondContact O-N 3.12Å; Q866-F868 VanDerWaalsContact C-N 3.26Å; Q866-F868 PolarHBondContact O-N 3.01Å; F868-S870 VanDerWaalsContact C-N 3.3Å; F868-S870 PolarHBondContact O-N 2.9Å; F868-E871 PolarHBondContact O-N 3.29Å; F868-I874 HydrophobicContact CD1-CD1 3.79Å; F868-I874 HydrophobicContact CD2-CD1 3.86Å; F868-I874 HydrophobicContact CE1-CD1 3.36Å; F868-I874 HydrophobicContact CE2-CD1 3.4Å; F868-I874 VanDerWaalsContact CE2-CD1 3.4Å; F868-I874 HydrophobicContact CE2-CG1 4.37Å; F868-I874 HydrophobicContact CG-CD1 4.03Å; F868-I874 HydrophobicContact CZ-CD1 3.14Å; F868-I874 HydrophobicContact CZ-CG1 4.47Å; F868-F929 HydrophobicContact CB-CE2 4.13Å; F868-F929 HydrophobicContact CB-CZ 4.36Å; F868-F929 AromaticContact CD1-CD2 3.44Å; F868-F929 HydrophobicContact CD1-CD2 3.44Å; F868-F929 VanDerWaalsContact CD1-CD2 3.44Å; F868-F929 AromaticContact CD1-CE2 3.54Å; F868-F929 HydrophobicContact CD1-CE2 3.54Å; F868-F929 HydrophobicContact CD1-CG 4.25Å; F868-F929 HydrophobicContact CD1-CZ 4.4Å; F868-F929 AromaticContact CE1-CD2 3.95Å; F868-F929 HydrophobicContact CE1-CD2 3.95Å; F868-F929 HydrophobicContact CE1-CE2 4.45Å; F868-F929 HydrophobicContact CG-CE2 4.34Å; F868-F929 VanDerWaalsContact O-CE2 3.24Å; F868-F929 WeakPolarHBondContact O-CE2 3.46Å; F868-F929 WeakPolarHBondContact O-CZ 3.27Å; F868-L932 HydrophobicContact CE1-CD1 4.49Å; F868-L932 HydrophobicContact CZ-CB 4.31Å; F868-L932 HydrophobicContact CZ-CD1 4.04Å; F868-L936 HydrophobicContact CD2-CD1 3.36Å; F868-L936 HydrophobicContact CE2-CD1 3.36Å; F868-L936 HydrophobicContact CG-CD1 4.35Å; F868-L936 HydrophobicContact CZ-CD1 4.31Å |
| 869 | E | 74.1 | Confident | 78.9 | Confident | 126 Ų | 126 | 42.1 Ų | 42.1 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.5 | -32.7 | 177.9 | -69.4 | -164.2 | 150.6 | 0 | 0 | 114.4 | W865 Q866 | W865-E869 VanDerWaalsContact CZ2-OE1 3.23Å; W865-E869 WeakPolarHBondContact CZ2-OE1 3.4Å; W865-E869 PolarHBondContact O-N 3.11Å; W865-E869 VanDerWaalsContact O-N 3.08Å; Q866-E869 PolarHBondContact O-N 3.24Å; Q866-E869 VanDerWaalsContact O-N 3.13Å |
| 870 | S | 74.7 | Confident | 78.4 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.5 | -179.9 | 66 | 0 | 0 | 0 | 0 | 114.9 | Q866 T867 F868 E872 | Q866-S870 PolarHBondContact O-N 3.31Å; Q866-S870 PolarHBondContact O-OG 2.79Å; T867-S870 WeakPolarHBondContact CA-OG 3.22Å; T867-S870 PolarHBondContact O-OG 3.18Å; F868-S870 VanDerWaalsContact C-N 3.3Å; F868-S870 PolarHBondContact O-N 2.9Å; S870-E872 PolarHBondContact O-N 3.49Å; S870-E872 WeakPolarHBondContact OG-CG 3.48Å |
| 871 | E | 69.1 | Low | 77.9 | Confident | 172 Ų | 172 | 47.4 Ų | 47.4 | 80% | 0.804 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 22.8 | -172.1 | -57.4 | -175.8 | 171 | 0 | 0 | 114.1 | T867 F868 | T867-E871 PolarHBondContact O-N 3.36Å; F868-E871 PolarHBondContact O-N 3.29Å |
| 872 | E | 71.2 | Confident | 77.3 | Confident | 118 Ų | 118 | 47.6 Ų | 47.6 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | trans | -78.2 | 157.3 | 175.8 | -72.9 | -175.1 | 174.7 | 0 | 0 | 112.2 | T867 S870 I874 V877 | T867-E872 PolarHBondContact O-N 3.16Å; S870-E872 PolarHBondContact O-N 3.49Å; S870-E872 WeakPolarHBondContact OG-CG 3.48Å; E872-I874 PolarHBondContact O-N 3.05Å; E872-I874 VanDerWaalsContact O-N 3.11Å; E872-V877 HydrophobicContact CB-CG2 4.43Å | ||
| 873 | N | 73.8 | Confident | 76.9 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | -75.5 | 104.3 | 177.1 | -172.7 | -21.2 | 0 | 0 | 0 | 110.4 | L875 K876 V877 L919 | N873-L875 PolarHBondContact O-N 3.48Å; N873-L875 WeakPolarHBondContact OD1-CB 3.4Å; N873-L875 PolarHBondContact OD1-N 3.18Å; N873-K876 HydrophobicContact CB-CB 4.08Å; N873-K876 WeakPolarHBondContact O-CA 3.44Å; N873-K876 VanDerWaalsContact O-CB 3.32Å; N873-K876 WeakPolarHBondContact O-CB 3.48Å; N873-K876 PolarHBondContact O-N 3.27Å; N873-V877 PolarHBondContact O-N 3.43Å; N873-L919 PolarHBondContact ND2-O 2.91Å | ||
| 874 | I | 75.3 | Confident | 76.4 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.6 | -40 | 179.5 | -63 | 147.9 | 0 | 0 | 0 | 112.6 | L772 T867 F868 E872 K876 V877 L878 | L772-I874 HydrophobicContact CD1-CG2 4.08Å; T867-I874 WeakPolarHBondContact OG1-CG1 3.23Å; F868-I874 HydrophobicContact CD1-CD1 3.79Å; F868-I874 HydrophobicContact CD2-CD1 3.86Å; F868-I874 HydrophobicContact CE1-CD1 3.36Å; F868-I874 HydrophobicContact CE2-CD1 3.4Å; F868-I874 VanDerWaalsContact CE2-CD1 3.4Å; F868-I874 HydrophobicContact CE2-CG1 4.37Å; F868-I874 HydrophobicContact CG-CD1 4.03Å; F868-I874 HydrophobicContact CZ-CD1 3.14Å; F868-I874 HydrophobicContact CZ-CG1 4.47Å; E872-I874 PolarHBondContact O-N 3.05Å; E872-I874 VanDerWaalsContact O-N 3.11Å; I874-K876 VanDerWaalsContact C-N 3.25Å; I874-K876 PolarHBondContact O-N 2.8Å; I874-V877 PolarHBondContact O-N 3.31Å; I874-L878 HydrophobicContact CG2-CD1 3.91Å; I874-L878 HydrophobicContact CG2-CG 4.31Å; I874-L878 WeakPolarHBondContact O-CG 3.43Å; I874-L878 PolarHBondContact O-N 3.26Å |
| 875 | L | 77.7 | Confident | 75.5 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 178.5 | -69.2 | 179.4 | 0 | 0 | 0 | 110.9 | Y769 L772 V773 L776 N873 Y879 L919 L922 | Y769-L875 HydrophobicContact CD2-CB 4.41Å; Y769-L875 HydrophobicContact CD2-CD2 4Å; Y769-L875 HydrophobicContact CE2-CB 4.25Å; Y769-L875 HydrophobicContact CE2-CD2 4.22Å; L772-L875 HydrophobicContact CB-CD2 3.65Å; V773-L875 HydrophobicContact CG2-CD1 4.25Å; V773-L875 HydrophobicContact CG2-CD2 3.73Å; L776-L875 HydrophobicContact CD1-CD1 3.67Å; L776-L875 HydrophobicContact CD1-CD2 4.19Å; L776-L875 HydrophobicContact CD1-CG 4Å; N873-L875 PolarHBondContact O-N 3.48Å; N873-L875 WeakPolarHBondContact OD1-CB 3.4Å; N873-L875 PolarHBondContact OD1-N 3.18Å; L875-Y879 WeakPolarHBondContact O-CB 2.92Å; L875-Y879 PolarHBondContact O-N 3.35Å; L875-L919 HydrophobicContact CB-CD2 3.54Å; L875-L919 HydrophobicContact CB-CG 4.15Å; L875-L922 HydrophobicContact CD1-CB 4.13Å; L875-L922 HydrophobicContact CD1-CD1 3.93Å |
| 876 | K | 78 | Confident | 74.7 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 179.5 | -175.6 | 178.7 | 178.4 | 177.9 | 0 | 110.3 | N873 I874 Y879 D880 L919 | N873-K876 HydrophobicContact CB-CB 4.08Å; N873-K876 WeakPolarHBondContact O-CA 3.44Å; N873-K876 VanDerWaalsContact O-CB 3.32Å; N873-K876 WeakPolarHBondContact O-CB 3.48Å; N873-K876 PolarHBondContact O-N 3.27Å; I874-K876 VanDerWaalsContact C-N 3.25Å; I874-K876 PolarHBondContact O-N 2.8Å; K876-Y879 PolarHBondContact O-N 3.44Å; K876-D880 VanDerWaalsContact O-CB 3.32Å; K876-D880 WeakPolarHBondContact O-CB 3.12Å; K876-D880 PolarHBondContact O-N 3.29Å; K876-L919 VanDerWaalsContact CA-CD2 3.43Å; K876-L919 HydrophobicContact CB-CD2 3.91Å; K876-L919 VanDerWaalsContact N-CD2 3.27Å |
| 877 | V | 78.6 | Confident | 73.5 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -51.7 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | T867 E872 N873 I874 Y879 D880 Y881 | T867-V877 HydrophobicContact CG2-CB 3.97Å; T867-V877 HydrophobicContact CG2-CG1 3.79Å; T867-V877 HydrophobicContact CG2-CG2 3.73Å; E872-V877 HydrophobicContact CB-CG2 4.43Å; N873-V877 PolarHBondContact O-N 3.43Å; I874-V877 PolarHBondContact O-N 3.31Å; V877-Y879 VanDerWaalsContact C-N 3.3Å; V877-Y879 PolarHBondContact O-N 3.15Å; V877-D880 PolarHBondContact O-N 3.38Å; V877-Y881 HydrophobicContact CG1-CD2 3.94Å; V877-Y881 HydrophobicContact CG1-CE2 3.82Å; V877-Y881 VanDerWaalsContact O-CD2 3.26Å; V877-Y881 WeakPolarHBondContact O-CD2 3.49Å; V877-Y881 PolarHBondContact O-N 2.84Å |
| 878 | L | 81.1 | Confident | 72.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 177.9 | -70.2 | 173.3 | 0 | 0 | 0 | 112 | C765 I768 L772 I874 Y881 T882 | C765-L878 HydrophobicContact CB-CD2 4.39Å; I768-L878 HydrophobicContact CG2-CD1 4.07Å; L772-L878 HydrophobicContact CD1-CD1 3.61Å; I874-L878 HydrophobicContact CG2-CD1 3.91Å; I874-L878 HydrophobicContact CG2-CG 4.31Å; I874-L878 WeakPolarHBondContact O-CG 3.43Å; I874-L878 PolarHBondContact O-N 3.26Å; L878-Y881 PolarHBondContact O-N 3.28Å; L878-T882 WeakPolarHBondContact O-CG2 3.03Å; L878-T882 PolarHBondContact O-N 3.49Å |
| 879 | Y | 79.9 | Confident | 70.8 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.1 | -174.1 | -99.1 | 0 | 0 | 0 | 112.3 | Y769 L875 K876 V877 Y881 T882 Q883 I915 | Y769-Y879 HydrophobicContact CE1-CD2 4.03Å; Y769-Y879 HydrophobicContact CE2-CD2 4.22Å; Y769-Y879 AromaticContact CZ-CD2 3.84Å; L875-Y879 WeakPolarHBondContact O-CB 2.92Å; L875-Y879 PolarHBondContact O-N 3.35Å; K876-Y879 PolarHBondContact O-N 3.44Å; V877-Y879 VanDerWaalsContact C-N 3.3Å; V877-Y879 PolarHBondContact O-N 3.15Å; Y879-Y881 PolarHBondContact O-N 3.23Å; Y879-T882 WeakPolarHBondContact O-CA 3.21Å; Y879-T882 WeakPolarHBondContact O-CB 3.44Å; Y879-T882 PolarHBondContact O-N 3.42Å; Y879-T882 PolarHBondContact O-OG1 2.92Å; Y879-Q883 HydrophobicContact CD1-CG 4.21Å; Y879-Q883 HydrophobicContact CE1-CG 3.86Å; Y879-Q883 WeakPolarHBondContact O-CG 3.19Å; Y879-Q883 PolarHBondContact O-N 3.18Å; Y879-I915 HydrophobicContact CE1-CG2 4.41Å |
| 880 | D | 77.3 | Confident | 69 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -34.9 | 178.1 | -74.3 | -18.6 | 0 | 0 | 0 | 111.4 | K876 V877 Q883 R884 | K876-D880 VanDerWaalsContact O-CB 3.32Å; K876-D880 WeakPolarHBondContact O-CB 3.12Å; K876-D880 PolarHBondContact O-N 3.29Å; V877-D880 PolarHBondContact O-N 3.38Å; D880-Q883 PolarHBondContact O-N 3.11Å; D880-R884 PolarHBondContact O-N 3.48Å |
| 881 | Y | 76.3 | Confident | 67 | Low | 37 Ų | 37 | 70 Ų | 70 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 170.7 | -88.9 | -80.1 | 0 | 0 | 0 | 112.7 | H761 H762 V877 L878 Y879 Q883 R884 | H761-Y881 AromaticContact CE1-CD1 3.76Å; H762-Y881 PolarHBondContact CD2-O 3.4Å; H762-Y881 PolarHBondContact NE2-O 3.19Å; V877-Y881 HydrophobicContact CG1-CD2 3.94Å; V877-Y881 HydrophobicContact CG1-CE2 3.82Å; V877-Y881 VanDerWaalsContact O-CD2 3.26Å; V877-Y881 WeakPolarHBondContact O-CD2 3.49Å; V877-Y881 PolarHBondContact O-N 2.84Å; L878-Y881 PolarHBondContact O-N 3.28Å; Y879-Y881 PolarHBondContact O-N 3.23Å; Y881-Q883 PolarHBondContact O-N 2.82Å; Y881-Q883 VanDerWaalsContact O-N 3.15Å; Y881-R884 VanDerWaalsContact CE1-NH2 3.29Å; Y881-R884 VanDerWaalsContact CZ-NH2 3.27Å; Y881-R884 PolarHBondContact O-N 3.48Å; Y881-R884 PolarHBondContact OH-NH2 2.93Å |
| 882 | T | 75.4 | Confident | 65.1 | Low | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -17 | 176.1 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | F719 C765 Y766 L878 Y879 | F719-T882 WeakPolarHBondContact CE1-O 3.3Å; F719-T882 HydrophobicContact CZ-CG2 4.4Å; C765-T882 HydrophobicContact CB-CG2 4.14Å; Y766-T882 HydrophobicContact CD2-CG2 4.29Å; L878-T882 WeakPolarHBondContact O-CG2 3.03Å; L878-T882 PolarHBondContact O-N 3.49Å; Y879-T882 WeakPolarHBondContact O-CA 3.21Å; Y879-T882 WeakPolarHBondContact O-CB 3.44Å; Y879-T882 PolarHBondContact O-N 3.42Å; Y879-T882 PolarHBondContact O-OG1 2.92Å |
| 883 | Q | 77 | Confident | 63.1 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.2 | -179.5 | -62.5 | -62.2 | -44.2 | 0 | 0 | 113.4 | Y879 D880 Y881 | Y879-Q883 HydrophobicContact CD1-CG 4.21Å; Y879-Q883 HydrophobicContact CE1-CG 3.86Å; Y879-Q883 WeakPolarHBondContact O-CG 3.19Å; Y879-Q883 PolarHBondContact O-N 3.18Å; D880-Q883 PolarHBondContact O-N 3.11Å; Y881-Q883 PolarHBondContact O-N 2.82Å; Y881-Q883 VanDerWaalsContact O-N 3.15Å |
| 884 | R | 70.6 | Confident | 61 | Low | 123 Ų | 123 | 68.9 Ų | 68.9 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -65.9 | 142.1 | 177 | -73.7 | -173.2 | 179.6 | -174.6 | 4.3 | 110.1 | D880 Y881 E886 | D880-R884 PolarHBondContact O-N 3.48Å; Y881-R884 VanDerWaalsContact CE1-NH2 3.29Å; Y881-R884 VanDerWaalsContact CZ-NH2 3.27Å; Y881-R884 PolarHBondContact O-N 3.48Å; Y881-R884 PolarHBondContact OH-NH2 2.93Å; R884-E886 PolarHBondContact O-N 3.41Å |
| 885 | P | 64.2 | Low | 58.7 | Low | 123 Ų | 123 | 75 Ų | 75 | 80% | 0.799 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 125.6 | 172.7 | 26.1 | -31.3 | 0 | 0 | 0 | 109.6 | ||
| 886 | E | 62.6 | Low | 56.2 | Low | 46 Ų | 46 | 84.9 Ų | 84.9 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 146.7 | 175.7 | -68 | 178.2 | -149.5 | 0 | 0 | 110.8 | R759 R884 T888 | R759-E886 IonicContact NE-OE2 3.61Å; R759-E886 IonicContact NH2-OE2 3.85Å; R884-E886 PolarHBondContact O-N 3.41Å; E886-T888 VanDerWaalsContact C-N 3.27Å; E886-T888 PolarHBondContact O-N 3.25Å |
| 887 | F | 56.5 | Low | 53.7 | Low | 60 Ų | 60 | 86 Ų | 86 | 26% | 0.263 | 48% | 0.484 | S | S | . | . | trans | -67.3 | 84 | 172.8 | -170.2 | -97.6 | 0 | 0 | 0 | 110.8 | F613 D758 I889 | F613-F887 HydrophobicContact CD2-CD2 4.41Å; F613-F887 HydrophobicContact CE1-CB 4.37Å; F613-F887 HydrophobicContact CG-CD2 4.39Å; F613-F887 HydrophobicContact CZ-CB 4.15Å; D758-F887 PolarHBondContact OD2-N 3.05Å; F887-I889 HydrophobicContact CD1-CG1 4.05Å; F887-I889 HydrophobicContact CE1-CD1 4.23Å; F887-I889 HydrophobicContact CE1-CG1 3.7Å | ||
| 888 | T | 51.4 | Low | 51.3 | Low | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | trans | -86.1 | 110.5 | 175.9 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | E886 H890 | E886-T888 VanDerWaalsContact C-N 3.27Å; E886-T888 PolarHBondContact O-N 3.25Å; T888-H890 PolarHBondContact O-N 2.85Å | ||
| 889 | I | 42.3 | Very low | 48.7 | Very low | 68 Ų | 68 | 101.7 Ų | 101.7 | 35% | 0.349 | 56% | 0.56 | S | S | . | * | trans | -69.7 | 111.8 | 172.7 | -57.8 | 175.8 | 0 | 0 | 0 | 108.5 | F602 I755 F887 S891 | F602-I889 HydrophobicContact CD1-CD1 3.91Å; F602-I889 HydrophobicContact CE1-CD1 3.44Å; F602-I889 VanDerWaalsContact CE1-CD1 3.44Å; F602-I889 HydrophobicContact CE2-CD1 4.34Å; F602-I889 HydrophobicContact CZ-CD1 3.68Å; I755-I889 HydrophobicContact CD1-CD1 4.1Å; F887-I889 HydrophobicContact CD1-CG1 4.05Å; F887-I889 HydrophobicContact CE1-CD1 4.23Å; F887-I889 HydrophobicContact CE1-CG1 3.7Å; I889-S891 PolarHBondContact O-N 3.24Å | ||
| 890 | H | 36.9 | Very low | 46.1 | Very low | 178 Ų | 178 | 104 Ų | 104 | 82% | 0.824 | 59% | 0.591 | S | S | * | * | trans | -62.8 | 92.5 | 173 | -71.3 | -62.9 | 0 | 0 | 0 | 110.6 | T888 S892 | T888-H890 PolarHBondContact O-N 2.85Å; H890-S892 PolarHBondContact O-N 2.96Å | ||
| 891 | S | 32.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 105.8 Ų | 105.8 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | trans | -64.1 | 125.1 | 163.6 | 61.2 | 0 | 0 | 0 | 0 | 108.5 | I889 S893 | I889-S891 PolarHBondContact O-N 3.24Å; S891-S893 PolarHBondContact O-N 3.36Å; S891-S893 VanDerWaalsContact O-N 3.13Å | ||
| 892 | S | 29 | Very low | 41.1 | Very low | 123 Ų | 123 | 111.9 Ų | 111.9 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -46.2 | 120.7 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | H890 G894 | H890-S892 PolarHBondContact O-N 2.96Å; S892-G894 PolarHBondContact O-N 3.44Å | ||
| 893 | S | 29.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -64.7 | 98.3 | -175.5 | 43 | 0 | 0 | 0 | 0 | 111 | S891 N895 | S891-S893 PolarHBondContact O-N 3.36Å; S891-S893 VanDerWaalsContact O-N 3.13Å; S893-N895 PolarHBondContact O-N 3.17Å | ||
| 894 | G | 29 | Very low | 36.4 | Very low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 110.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S892 F896 | S892-G894 PolarHBondContact O-N 3.44Å; G894-F896 PolarHBondContact O-N 3.47Å; G894-F896 VanDerWaalsContact O-N 3.17Å | ||
| 895 | N | 27.1 | Very low | 34.2 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -34.7 | 110.6 | 176.8 | -66.8 | -30.6 | 0 | 0 | 0 | 114.3 | S893 | S893-N895 PolarHBondContact O-N 3.17Š| ||
| 896 | F | 25.1 | Very low | 32.4 | Very low | 210 Ų | 210 | 120.1 Ų | 120.1 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | -123 | 86.2 | 151.8 | -92.9 | -85.5 | 0 | 0 | 0 | 107.9 | G894 | G894-F896 PolarHBondContact O-N 3.47Å; G894-F896 VanDerWaalsContact O-N 3.17Å | ||
| 897 | S | 26.3 | Very low | 30.6 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 145.3 | 164 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 898 | E | 26.4 | Very low | 29.1 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 76.5 | 80 | 158.3 | -63.1 | 179.5 | 179.4 | 0 | 0 | 118.3 | ||||
| 899 | I | 26.9 | Very low | 27.9 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -135.4 | 106.7 | 134 | -58.9 | -177.4 | 0 | 0 | 0 | 108.7 | ||
| 900 | G | 25.4 | Very low | 27.4 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 59.9 | 79 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | D902 | G900-D902 PolarHBondContact O-N 3.38Š| ||
| 901 | S | 24.5 | Very low | 27.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 116.1 | 150.6 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 902 | D | 25.5 | Very low | 27.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 177.8 | 73.8 | 141.4 | -88.5 | -13.1 | 0 | 0 | 0 | 110 | G900 | G900-D902 PolarHBondContact O-N 3.38Š| ||
| 903 | S | 25.5 | Very low | 28.6 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -148.1 | 102.9 | 149.2 | 59.1 | 0 | 0 | 0 | 0 | 106.8 | S905 | S903-S905 PolarHBondContact O-N 3.5Š|
| 904 | A | 26.9 | Very low | 29.3 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -47.3 | 113 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q906 | A904-Q906 PolarHBondContact O-N 3.2Š| ||
| 905 | S | 25.7 | Very low | 30.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -57.2 | 90.8 | 166.7 | 44.5 | 0 | 0 | 0 | 0 | 108.1 | S903 E907 | S903-S905 PolarHBondContact O-N 3.5Å; S905-E907 PolarHBondContact O-N 3.4Å | ||
| 906 | Q | 24.7 | Very low | 31.7 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | -68.3 | 89.5 | 153.9 | -74.4 | -177 | -12.4 | 0 | 0 | 105.4 | A904 L908 | A904-Q906 PolarHBondContact O-N 3.2Å; Q906-L908 PolarHBondContact O-N 2.95Å | ||
| 907 | E | 26 | Very low | 33 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -50.1 | 109.9 | 161.2 | -76.7 | 178.7 | 154.1 | 0 | 0 | 106.7 | S905 H909 | S905-E907 PolarHBondContact O-N 3.4Å; E907-H909 PolarHBondContact O-N 2.84Å | ||
| 908 | L | 25.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -62.8 | 81.2 | 169 | -85.1 | 155.6 | 0 | 0 | 0 | 107.3 | Q906 L910 | Q906-L908 PolarHBondContact O-N 2.95Å; L908-L910 HydrophobicContact CB-CD1 4.29Å; L908-L910 HydrophobicContact CD2-CD1 3.91Å; L908-L910 HydrophobicContact CD2-CG 4.12Å; L908-L910 PolarHBondContact O-N 2.93Å | ||
| 909 | H | 25.2 | Very low | 35.8 | Very low | 166 Ų | 166 | 112.8 Ų | 112.8 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -66.2 | 64.1 | 156.1 | -85.3 | -77.8 | 0 | 0 | 0 | 108 | E907 N911 | E907-H909 PolarHBondContact O-N 2.84Å; H909-N911 PolarHBondContact O-N 2.9Å | ||
| 910 | L | 30.8 | Very low | 37.2 | Very low | 130 Ų | 130 | 109.3 Ų | 109.3 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | trans | -67.2 | 86.5 | 163.1 | -88.4 | 157.4 | 0 | 0 | 0 | 106.7 | L908 K912 | L908-L910 HydrophobicContact CB-CD1 4.29Å; L908-L910 HydrophobicContact CD2-CD1 3.91Å; L908-L910 HydrophobicContact CD2-CG 4.12Å; L908-L910 PolarHBondContact O-N 2.93Å; L910-K912 PolarHBondContact O-N 3.16Å | ||
| 911 | N | 38.6 | Very low | 38.7 | Very low | 104 Ų | 104 | 110 Ų | 110 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | trans | 43.6 | 49.1 | 142.3 | -103.3 | 2.7 | 0 | 0 | 0 | 117.2 | H909 N913 T914 I915 | H909-N911 PolarHBondContact O-N 2.9Å; N911-N913 PolarHBondContact O-N 3.24Å; N911-N913 VanDerWaalsContact O-N 3.08Å; N911-T914 WeakPolarHBondContact CB-OG1 3.34Å; N911-T914 PolarHBondContact ND2-OG1 3.05Å; N911-T914 PolarHBondContact O-N 3.37Å; N911-T914 PolarHBondContact O-OG1 3.46Å; N911-I915 PolarHBondContact O-N 3.23Å | ||
| 912 | K | 41 | Very low | 40.2 | Very low | 132 Ų | 132 | 106.9 Ų | 106.9 | 57% | 0.574 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -43.3 | -41.5 | 165.5 | -107.6 | -179.7 | 175 | 179.5 | 0 | 111.8 | L910 T914 I915 D916 | L910-K912 PolarHBondContact O-N 3.16Å; K912-T914 VanDerWaalsContact C-N 3.29Å; K912-T914 PolarHBondContact O-N 3.24Å; K912-I915 PolarHBondContact O-N 2.86Å; K912-D916 WeakPolarHBondContact O-CB 3.26Å; K912-D916 VanDerWaalsContact O-CG 3.27Å; K912-D916 PolarHBondContact O-N 3.08Å |
| 913 | N | 45.1 | Very low | 41.8 | Very low | 125 Ų | 125 | 105.2 Ų | 105.2 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.3 | -29.5 | 179 | -64.4 | -5.3 | 0 | 0 | 0 | 114.3 | N911 T917 | N911-N913 PolarHBondContact O-N 3.24Å; N911-N913 VanDerWaalsContact O-N 3.08Å; N913-T917 WeakPolarHBondContact O-CB 3.18Å; N913-T917 WeakPolarHBondContact O-CG2 3.43Å; N913-T917 PolarHBondContact O-N 2.67Å; N913-T917 PolarHBondContact O-OG1 2.79Å |
| 914 | T | 44.3 | Very low | 43.4 | Very low | 57 Ų | 57 | 103.1 Ų | 103.1 | 35% | 0.35 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -81.6 | -38.9 | -179.9 | -26.4 | 0 | 0 | 0 | 0 | 110.8 | N911 K912 T917 E918 | N911-T914 WeakPolarHBondContact CB-OG1 3.34Å; N911-T914 PolarHBondContact ND2-OG1 3.05Å; N911-T914 PolarHBondContact O-N 3.37Å; N911-T914 PolarHBondContact O-OG1 3.46Å; K912-T914 VanDerWaalsContact C-N 3.29Å; K912-T914 PolarHBondContact O-N 3.24Å; T914-T917 WeakPolarHBondContact CA-OG1 2.93Å; T914-T917 PolarHBondContact O-N 3.46Å; T914-T917 PolarHBondContact O-OG1 3.38Å; T914-E918 WeakPolarHBondContact O-CB 3.32Å; T914-E918 WeakPolarHBondContact O-CG 3.3Å; T914-E918 PolarHBondContact O-N 2.98Å |
| 915 | I | 53.2 | Low | 45.1 | Very low | 51 Ų | 51 | 100.5 Ų | 100.5 | 26% | 0.262 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 173.7 | -64.4 | 173.3 | 0 | 0 | 0 | 109.9 | Y879 N911 K912 T917 E918 L919 | Y879-I915 HydrophobicContact CE1-CG2 4.41Å; N911-I915 PolarHBondContact O-N 3.23Å; K912-I915 PolarHBondContact O-N 2.86Å; I915-T917 VanDerWaalsContact C-N 3.33Å; I915-T917 PolarHBondContact O-N 3.13Å; I915-E918 PolarHBondContact O-N 3.23Å; I915-L919 HydrophobicContact CG2-CD1 3.32Å; I915-L919 WeakPolarHBondContact O-CB 3.05Å; I915-L919 WeakPolarHBondContact O-CD1 3.45Å; I915-L919 PolarHBondContact O-N 2.76Å |
| 916 | D | 52.1 | Low | 46.7 | Very low | 50 Ų | 50 | 99.5 Ų | 99.5 | 27% | 0.267 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.4 | -73.4 | -26.8 | 0 | 0 | 0 | 112.1 | K912 H920 | K912-D916 WeakPolarHBondContact O-CB 3.26Å; K912-D916 VanDerWaalsContact O-CG 3.27Å; K912-D916 PolarHBondContact O-N 3.08Å; D916-H920 WeakPolarHBondContact O-CB 3.42Å; D916-H920 PolarHBondContact O-CD2 3.2Å; D916-H920 PolarHBondContact O-N 3.43Å |
| 917 | T | 53.4 | Low | 48.2 | Very low | 92 Ų | 92 | 97.9 Ų | 97.9 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -37 | 178.1 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | N913 T914 I915 S921 | N913-T917 WeakPolarHBondContact O-CB 3.18Å; N913-T917 WeakPolarHBondContact O-CG2 3.43Å; N913-T917 PolarHBondContact O-N 2.67Å; N913-T917 PolarHBondContact O-OG1 2.79Å; T914-T917 WeakPolarHBondContact CA-OG1 2.93Å; T914-T917 PolarHBondContact O-N 3.46Å; T914-T917 PolarHBondContact O-OG1 3.38Å; I915-T917 VanDerWaalsContact C-N 3.33Å; I915-T917 PolarHBondContact O-N 3.13Å; T917-S921 PolarHBondContact O-N 3.19Å |
| 918 | E | 55.6 | Low | 49.7 | Very low | 124 Ų | 124 | 91.6 Ų | 91.6 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 172.8 | -75.8 | -178.1 | 176.8 | 0 | 0 | 111.8 | T914 I915 H920 S921 | T914-E918 WeakPolarHBondContact O-CB 3.32Å; T914-E918 WeakPolarHBondContact O-CG 3.3Å; T914-E918 PolarHBondContact O-N 2.98Å; I915-E918 PolarHBondContact O-N 3.23Å; E918-H920 VanDerWaalsContact C-N 3.34Å; E918-H920 PolarHBondContact O-N 3.3Å; E918-S921 WeakPolarHBondContact O-CB 3.36Å; E918-S921 PolarHBondContact O-N 3.33Å; E918-S921 VanDerWaalsContact O-N 3.11Å; E918-S921 PolarHBondContact O-OG 2.98Å |
| 919 | L | 56.5 | Low | 51.4 | Low | 9 Ų | 9 | 87.1 Ų | 87.1 | 5% | 0.047 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.9 | -98 | 99.6 | 0 | 0 | 0 | 112.4 | Y769 N873 L875 K876 I915 S921 L922 | Y769-L919 HydrophobicContact CE2-CD2 4.41Å; N873-L919 PolarHBondContact ND2-O 2.91Å; L875-L919 HydrophobicContact CB-CD2 3.54Å; L875-L919 HydrophobicContact CB-CG 4.15Å; K876-L919 VanDerWaalsContact CA-CD2 3.43Å; K876-L919 HydrophobicContact CB-CD2 3.91Å; K876-L919 VanDerWaalsContact N-CD2 3.27Å; I915-L919 HydrophobicContact CG2-CD1 3.32Å; I915-L919 WeakPolarHBondContact O-CB 3.05Å; I915-L919 WeakPolarHBondContact O-CD1 3.45Å; I915-L919 PolarHBondContact O-N 2.76Å; L919-S921 PolarHBondContact O-N 3.27Å; L919-L922 PolarHBondContact O-N 2.97Å |
| 920 | H | 54.8 | Low | 53.4 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -19.2 | 177.4 | -78.9 | -56.6 | 0 | 0 | 0 | 113.5 | D916 E918 | D916-H920 WeakPolarHBondContact O-CB 3.42Å; D916-H920 PolarHBondContact O-CD2 3.2Å; D916-H920 PolarHBondContact O-N 3.43Å; E918-H920 VanDerWaalsContact C-N 3.34Å; E918-H920 PolarHBondContact O-N 3.3Å |
| 921 | S | 57.3 | Low | 54.9 | Low | 87 Ų | 87 | 81 Ų | 81 | 61% | 0.608 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -80.3 | -21.7 | 178.2 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | T917 E918 L919 N923 | T917-S921 PolarHBondContact O-N 3.19Å; E918-S921 WeakPolarHBondContact O-CB 3.36Å; E918-S921 PolarHBondContact O-N 3.33Å; E918-S921 VanDerWaalsContact O-N 3.11Å; E918-S921 PolarHBondContact O-OG 2.98Å; L919-S921 PolarHBondContact O-N 3.27Å; S921-N923 PolarHBondContact O-N 3.33Å |
| 922 | L | 56.2 | Low | 56.2 | Low | 48 Ų | 48 | 77 Ų | 77 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | trans | -91.2 | 77 | -178.3 | -66 | 170.7 | 0 | 0 | 0 | 110.9 | L776 L875 L919 | L776-L922 HydrophobicContact CB-CD2 4.28Å; L875-L922 HydrophobicContact CD1-CB 4.13Å; L875-L922 HydrophobicContact CD1-CD1 3.93Å; L919-L922 PolarHBondContact O-N 2.97Å | ||
| 923 | N | 59 | Low | 57.6 | Low | 130 Ų | 130 | 72.2 Ų | 72.2 | 70% | 0.695 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 134.7 | 175.4 | -79.1 | -12.8 | 0 | 0 | 0 | 112.3 | S921 | S921-N923 PolarHBondContact O-N 3.33Š|
| 924 | M | 60.1 | Low | 58.8 | Low | 68 Ų | 68 | 69.9 Ų | 69.9 | 34% | 0.335 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 140.6 | 173.5 | -80.6 | -75.8 | -88.1 | 0 | 0 | 111.5 | L776 L928 L932 | L776-M924 HydrophobicContact CD2-CG 4.06Å; L776-M924 HydrophobicContact CD2-SD 3.41Å; L776-M924 WeakPolarHBondContact CD2-SD 3.3Å; M924-L928 HydrophobicContact CE-CB 4.02Å; M924-L932 HydrophobicContact CE-CD1 3.31Å |
| 925 | S | 61.1 | Low | 60.2 | Low | 43 Ų | 43 | 69.8 Ų | 69.8 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 142.8 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | E927 L928 F929 | S925-E927 VanDerWaalsContact C-N 3.27Å; S925-E927 PolarHBondContact O-N 3.43Å; S925-L928 PolarHBondContact O-N 2.9Å; S925-L928 WeakPolarHBondContact OG-CD1 3.44Å; S925-L928 WeakPolarHBondContact OG-CG 3.39Å; S925-F929 PolarHBondContact O-N 3.41Å; S925-F929 VanDerWaalsContact O-N 3.16Å |
| 926 | S | 59 | Low | 61.4 | Low | 89 Ų | 89 | 67.5 Ų | 67.5 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.6 | -31.3 | -176.6 | 81 | 0 | 0 | 0 | 0 | 114.2 | L928 F929 D930 | S926-L928 PolarHBondContact O-N 3.39Å; S926-F929 WeakPolarHBondContact O-CB 3.47Å; S926-F929 PolarHBondContact O-N 3.17Å; S926-D930 PolarHBondContact O-N 2.93Å; S926-D930 VanDerWaalsContact O-N 3.11Å |
| 927 | E | 57.6 | Low | 62.7 | Low | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.682 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.8 | -34.2 | 176.9 | -66.2 | 179.7 | 163.2 | 0 | 0 | 113.2 | S925 C931 | S925-E927 VanDerWaalsContact C-N 3.27Å; S925-E927 PolarHBondContact O-N 3.43Å; E927-C931 PolarHBondContact O-N 3.42Å |
| 928 | L | 57 | Low | 64.1 | Low | 20 Ų | 20 | 69.1 Ų | 69.1 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.1 | -34 | 174.4 | -78.7 | 172.5 | 0 | 0 | 0 | 111 | M924 S925 S926 L932 | M924-L928 HydrophobicContact CE-CB 4.02Å; S925-L928 PolarHBondContact O-N 2.9Å; S925-L928 WeakPolarHBondContact OG-CD1 3.44Å; S925-L928 WeakPolarHBondContact OG-CG 3.39Å; S926-L928 PolarHBondContact O-N 3.39Å; L928-L932 WeakPolarHBondContact O-CB 3.46Å; L928-L932 VanDerWaalsContact O-CG 3.29Å; L928-L932 WeakPolarHBondContact O-CG 3.4Å; L928-L932 PolarHBondContact O-N 3.42Å |
| 929 | F | 62.3 | Low | 65.3 | Low | 56 Ų | 56 | 63.7 Ų | 63.7 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -56 | 176 | 179.8 | -81.5 | 0 | 0 | 0 | 110.6 | F868 S925 S926 C931 L932 T933 | F868-F929 HydrophobicContact CB-CE2 4.13Å; F868-F929 HydrophobicContact CB-CZ 4.36Å; F868-F929 AromaticContact CD1-CD2 3.44Å; F868-F929 HydrophobicContact CD1-CD2 3.44Å; F868-F929 VanDerWaalsContact CD1-CD2 3.44Å; F868-F929 AromaticContact CD1-CE2 3.54Å; F868-F929 HydrophobicContact CD1-CE2 3.54Å; F868-F929 HydrophobicContact CD1-CG 4.25Å; F868-F929 HydrophobicContact CD1-CZ 4.4Å; F868-F929 AromaticContact CE1-CD2 3.95Å; F868-F929 HydrophobicContact CE1-CD2 3.95Å; F868-F929 HydrophobicContact CE1-CE2 4.45Å; F868-F929 HydrophobicContact CG-CE2 4.34Å; F868-F929 VanDerWaalsContact O-CE2 3.24Å; F868-F929 WeakPolarHBondContact O-CE2 3.46Å; F868-F929 WeakPolarHBondContact O-CZ 3.27Å; S925-F929 PolarHBondContact O-N 3.41Å; S925-F929 VanDerWaalsContact O-N 3.16Å; S926-F929 WeakPolarHBondContact O-CB 3.47Å; S926-F929 PolarHBondContact O-N 3.17Å; F929-C931 VanDerWaalsContact C-N 3.28Å; F929-C931 PolarHBondContact O-N 3.25Å; F929-L932 PolarHBondContact O-N 3.05Å; F929-L932 VanDerWaalsContact O-N 3.12Å; F929-T933 PolarHBondContact O-N 2.76Å; F929-T933 PolarHBondContact O-OG1 3.39Å |
| 930 | D | 65.8 | Low | 66.7 | Low | 110 Ų | 110 | 63.8 Ų | 63.8 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.3 | -39.1 | -178.8 | -70.2 | -21.8 | 0 | 0 | 0 | 112.6 | S926 S934 | S926-D930 PolarHBondContact O-N 2.93Å; S926-D930 VanDerWaalsContact O-N 3.11Å; D930-S934 PolarHBondContact O-N 2.78Å |
| 931 | C | 63.5 | Low | 68 | Low | 57 Ų | 57 | 62.4 Ų | 62.4 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | E927 F929 S934 | E927-C931 PolarHBondContact O-N 3.42Å; F929-C931 VanDerWaalsContact C-N 3.28Å; F929-C931 PolarHBondContact O-N 3.25Å; C931-S934 PolarHBondContact O-OG 3.41Å |
| 932 | L | 66.1 | Low | 69.3 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75 | -41.3 | 179.4 | -75.4 | 168.8 | 0 | 0 | 0 | 110.9 | F868 M924 L928 F929 S934 N935 L936 | F868-L932 HydrophobicContact CE1-CD1 4.49Å; F868-L932 HydrophobicContact CZ-CB 4.31Å; F868-L932 HydrophobicContact CZ-CD1 4.04Å; M924-L932 HydrophobicContact CE-CD1 3.31Å; L928-L932 WeakPolarHBondContact O-CB 3.46Å; L928-L932 VanDerWaalsContact O-CG 3.29Å; L928-L932 WeakPolarHBondContact O-CG 3.4Å; L928-L932 PolarHBondContact O-N 3.42Å; F929-L932 PolarHBondContact O-N 3.05Å; F929-L932 VanDerWaalsContact O-N 3.12Å; L932-S934 PolarHBondContact O-N 3.1Å; L932-N935 PolarHBondContact O-N 3.1Å; L932-L936 HydrophobicContact CB-CD1 4.33Å; L932-L936 WeakPolarHBondContact O-CB 3.14Å; L932-L936 VanDerWaalsContact O-CG 3.22Å; L932-L936 WeakPolarHBondContact O-CG 3.4Å; L932-L936 PolarHBondContact O-N 3.26Å |
| 933 | T | 69.7 | Low | 70.8 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | -177.5 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | F929 N935 L936 Q937 | F929-T933 PolarHBondContact O-N 2.76Å; F929-T933 PolarHBondContact O-OG1 3.39Å; T933-N935 PolarHBondContact O-N 2.85Å; T933-L936 PolarHBondContact O-N 3.49Å; T933-Q937 PolarHBondContact O-N 2.9Å |
| 934 | S | 69.7 | Low | 72.1 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | D930 C931 L932 | D930-S934 PolarHBondContact O-N 2.78Å; C931-S934 PolarHBondContact O-OG 3.41Å; L932-S934 PolarHBondContact O-N 3.1Å |
| 935 | N | 74.8 | Confident | 73.3 | Confident | 56 Ų | 56 | 59 Ų | 59 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.6 | -32.5 | -178.7 | -71.1 | -6.3 | 0 | 0 | 0 | 111.9 | L932 T933 H938 L939 | L932-N935 PolarHBondContact O-N 3.1Å; T933-N935 PolarHBondContact O-N 2.85Å; N935-H938 PolarHBondContact O-N 2.81Å; N935-L939 WeakPolarHBondContact O-CG 3.25Å; N935-L939 PolarHBondContact O-N 3.21Å |
| 936 | L | 78.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 177.8 | -80.5 | 166.9 | 0 | 0 | 0 | 111.9 | F830 L861 I864 W865 F868 L932 T933 H938 L939 V940 | F830-L936 HydrophobicContact CE1-CD2 3.88Å; F830-L936 HydrophobicContact CZ-CD2 4.49Å; L861-L936 HydrophobicContact CD2-CD2 4.06Å; I864-L936 HydrophobicContact CG2-CD1 4.03Å; I864-L936 HydrophobicContact CG2-CD2 4.16Å; W865-L936 HydrophobicContact CB-CB 4.49Å; F868-L936 HydrophobicContact CD2-CD1 3.36Å; F868-L936 HydrophobicContact CE2-CD1 3.36Å; F868-L936 HydrophobicContact CG-CD1 4.35Å; F868-L936 HydrophobicContact CZ-CD1 4.31Å; L932-L936 HydrophobicContact CB-CD1 4.33Å; L932-L936 WeakPolarHBondContact O-CB 3.14Å; L932-L936 VanDerWaalsContact O-CG 3.22Å; L932-L936 WeakPolarHBondContact O-CG 3.4Å; L932-L936 PolarHBondContact O-N 3.26Å; T933-L936 PolarHBondContact O-N 3.49Å; L936-H938 VanDerWaalsContact C-N 3.34Å; L936-H938 PolarHBondContact O-N 3.41Å; L936-L939 WeakPolarHBondContact O-CB 3.38Å; L936-L939 PolarHBondContact O-N 3.2Å; L936-L939 VanDerWaalsContact O-N 3.11Å; L936-V940 WeakPolarHBondContact O-CG2 3.28Å; L936-V940 PolarHBondContact O-N 3.29Å |
| 937 | Q | 79.8 | Confident | 75.8 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 176.7 | -178.9 | 57.7 | 34.2 | 0 | 0 | 111.3 | T933 L939 V940 D941 | T933-Q937 PolarHBondContact O-N 2.9Å; Q937-L939 VanDerWaalsContact C-N 3.3Å; Q937-L939 PolarHBondContact O-N 3.41Å; Q937-V940 PolarHBondContact O-N 2.89Å; Q937-D941 PolarHBondContact NE2-OD1 2.88Å; Q937-D941 PolarHBondContact NE2-OD2 2.89Å; Q937-D941 VanDerWaalsContact NE2-OD2 3.1Å; Q937-D941 VanDerWaalsContact O-CG 3.3Å; Q937-D941 PolarHBondContact O-N 2.8Å |
| 938 | H | 81.5 | Confident | 77 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 177.5 | 177.7 | -84.5 | 0 | 0 | 0 | 112.5 | N935 L936 K942 | N935-H938 PolarHBondContact O-N 2.81Å; L936-H938 VanDerWaalsContact C-N 3.34Å; L936-H938 PolarHBondContact O-N 3.41Å; H938-K942 VanDerWaalsContact O-CB 3.26Å; H938-K942 WeakPolarHBondContact O-CB 3.46Å; H938-K942 PolarHBondContact O-N 3.2Å |
| 939 | L | 81.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 174.7 | -75.6 | 170.4 | 0 | 0 | 0 | 111.8 | E831 L861 N935 L936 Q937 D941 K942 W943 | E831-L939 HydrophobicContact CG-CD1 4.42Å; L861-L939 HydrophobicContact CD1-CB 4.42Å; N935-L939 WeakPolarHBondContact O-CG 3.25Å; N935-L939 PolarHBondContact O-N 3.21Å; L936-L939 WeakPolarHBondContact O-CB 3.38Å; L936-L939 PolarHBondContact O-N 3.2Å; L936-L939 VanDerWaalsContact O-N 3.11Å; Q937-L939 VanDerWaalsContact C-N 3.3Å; Q937-L939 PolarHBondContact O-N 3.41Å; L939-D941 VanDerWaalsContact C-N 3.35Å; L939-K942 PolarHBondContact O-N 2.95Å; L939-W943 PolarHBondContact O-N 3.13Å |
| 940 | V | 84.4 | Confident | 79.5 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | L861 F862 W865 L936 Q937 K942 W943 H944 | L861-V940 HydrophobicContact CB-CG2 3.84Å; F862-V940 HydrophobicContact CB-CG1 4.44Å; F862-V940 HydrophobicContact CD2-CG1 4.19Å; W865-V940 HydrophobicContact CB-CG2 4.48Å; L936-V940 WeakPolarHBondContact O-CG2 3.28Å; L936-V940 PolarHBondContact O-N 3.29Å; Q937-V940 PolarHBondContact O-N 2.89Å; V940-K942 VanDerWaalsContact C-N 3.32Å; V940-K942 PolarHBondContact O-N 2.93Å; V940-W943 PolarHBondContact O-N 2.76Å; V940-H944 WeakPolarHBondContact O-CB 3.4Å; V940-H944 PolarHBondContact O-N 2.87Å |
| 941 | D | 83.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.5 | -67.8 | -27.1 | 0 | 0 | 0 | 111.4 | Q937 L939 H944 Q945 | Q937-D941 PolarHBondContact NE2-OD1 2.88Å; Q937-D941 PolarHBondContact NE2-OD2 2.89Å; Q937-D941 VanDerWaalsContact NE2-OD2 3.1Å; Q937-D941 VanDerWaalsContact O-CG 3.3Å; Q937-D941 PolarHBondContact O-N 2.8Å; L939-D941 VanDerWaalsContact C-N 3.35Å; D941-H944 WeakPolarHBondContact O-CB 3.45Å; D941-H944 PolarHBondContact O-N 2.77Å; D941-Q945 WeakPolarHBondContact O-CG 3.26Å; D941-Q945 PolarHBondContact O-N 3.31Å |
| 942 | K | 85.1 | Confident | 81.1 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 23% | 0.226 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.7 | -175.4 | 174.2 | -177.4 | 172.3 | 0 | 112.5 | Y838 H938 L939 V940 H944 Q945 T946 | Y838-K942 HydrophobicContact CE2-CD 4.26Å; Y838-K942 HydrophobicContact CE2-CG 3.95Å; Y838-K942 WeakPolarHBondContact OH-CE 3.46Å; H938-K942 VanDerWaalsContact O-CB 3.26Å; H938-K942 WeakPolarHBondContact O-CB 3.46Å; H938-K942 PolarHBondContact O-N 3.2Å; L939-K942 PolarHBondContact O-N 2.95Å; V940-K942 VanDerWaalsContact C-N 3.32Å; V940-K942 PolarHBondContact O-N 2.93Å; K942-H944 VanDerWaalsContact C-N 3.33Å; K942-Q945 PolarHBondContact O-N 3.26Å; K942-T946 PolarHBondContact O-N 3.34Å; K942-T946 PolarHBondContact O-OG1 2.71Å |
| 943 | W | 87.5 | Confident | 82 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -35.4 | 177.4 | -82.5 | 102.6 | 0 | 0 | 0 | 112.1 | I837 Y838 A854 I857 R858 L861 L939 V940 T946 C947 | I837-W943 HydrophobicContact CB-CH2 4.42Å; I837-W943 HydrophobicContact CB-CZ2 4.38Å; I837-W943 HydrophobicContact CG2-CH2 3.84Å; I837-W943 HydrophobicContact CG2-CZ2 4.19Å; Y838-W943 VanDerWaalsContact CA-CH2 3.45Å; Y838-W943 HydrophobicContact CD2-CD2 4.18Å; Y838-W943 AromaticContact CD2-CE2 3.95Å; Y838-W943 HydrophobicContact CD2-CE3 4.35Å; Y838-W943 HydrophobicContact CD2-CH2 4.14Å; Y838-W943 AromaticContact CD2-CZ2 3.95Å; Y838-W943 HydrophobicContact CD2-CZ2 3.95Å; Y838-W943 HydrophobicContact CD2-CZ3 4.32Å; Y838-W943 HydrophobicContact CG-CZ2 4.3Å; A854-W943 HydrophobicContact CB-CE3 4.01Å; A854-W943 HydrophobicContact CB-CZ3 3.94Å; I857-W943 HydrophobicContact CB-CE3 4.42Å; I857-W943 HydrophobicContact CB-CH2 4.46Å; I857-W943 HydrophobicContact CB-CZ3 4.41Å; I857-W943 HydrophobicContact CG2-CD2 3.77Å; I857-W943 HydrophobicContact CG2-CE3 4.14Å; I857-W943 HydrophobicContact CG2-CG 4.28Å; I857-W943 HydrophobicContact CG2-CH2 4.05Å; I857-W943 HydrophobicContact CG2-CZ2 3.67Å; I857-W943 HydrophobicContact CG2-CZ3 4.28Å; R858-W943 HydrophobicContact CB-CB 4.15Å; R858-W943 HydrophobicContact CG-CB 4.41Å; L861-W943 HydrophobicContact CD1-CG 3.99Å; L939-W943 PolarHBondContact O-N 3.13Å; V940-W943 PolarHBondContact O-N 2.76Å; W943-T946 VanDerWaalsContact CA-OG1 3.28Å; W943-T946 WeakPolarHBondContact CA-OG1 3.33Å; W943-T946 PolarHBondContact O-N 2.98Å; W943-T946 PolarHBondContact O-OG1 3.33Å; W943-C947 PolarHBondContact O-N 3.28Å; W943-C947 PolarHBondContact O-SG 3.48Å |
| 944 | H | 86.6 | Confident | 82.6 | Confident | 111 Ų | 111 | 37.5 Ų | 37.5 | 51% | 0.514 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 172.7 | -175.4 | 77.1 | 0 | 0 | 0 | 111.7 | V940 D941 K942 T946 C947 A948 | V940-H944 WeakPolarHBondContact O-CB 3.4Å; V940-H944 PolarHBondContact O-N 2.87Å; D941-H944 WeakPolarHBondContact O-CB 3.45Å; D941-H944 PolarHBondContact O-N 2.77Å; K942-H944 VanDerWaalsContact C-N 3.33Å; H944-T946 VanDerWaalsContact C-N 3.32Å; H944-T946 PolarHBondContact O-N 3.41Å; H944-C947 WeakPolarHBondContact O-CB 3.5Å; H944-C947 PolarHBondContact O-N 2.83Å; H944-A948 PolarHBondContact O-N 2.68Å |
| 945 | Q | 84.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 34.2 Ų | 34.2 | 45% | 0.449 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 174.1 | -72 | 174.4 | 1.1 | 0 | 0 | 112.1 | D941 K942 C947 A948 Q949 | D941-Q945 WeakPolarHBondContact O-CG 3.26Å; D941-Q945 PolarHBondContact O-N 3.31Å; K942-Q945 PolarHBondContact O-N 3.26Å; Q945-C947 PolarHBondContact O-N 2.99Å; Q945-A948 PolarHBondContact O-N 3.42Å; Q945-Q949 VanDerWaalsContact O-CG 3.28Å; Q945-Q949 WeakPolarHBondContact O-CG 3.43Å; Q945-Q949 PolarHBondContact O-N 3.46Å |
| 946 | T | 85.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.9 | -31.9 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | Y838 K942 W943 H944 A948 Q949 L950 L985 | Y838-T946 HydrophobicContact CD2-CG2 4.28Å; Y838-T946 HydrophobicContact CE2-CG2 3.19Å; Y838-T946 WeakPolarHBondContact OH-CG2 3.48Å; K942-T946 PolarHBondContact O-N 3.34Å; K942-T946 PolarHBondContact O-OG1 2.71Å; W943-T946 VanDerWaalsContact CA-OG1 3.28Å; W943-T946 WeakPolarHBondContact CA-OG1 3.33Å; W943-T946 PolarHBondContact O-N 2.98Å; W943-T946 PolarHBondContact O-OG1 3.33Å; H944-T946 VanDerWaalsContact C-N 3.32Å; H944-T946 PolarHBondContact O-N 3.41Å; T946-A948 VanDerWaalsContact C-N 3.33Å; T946-Q949 PolarHBondContact O-N 3.14Å; T946-L950 VanDerWaalsContact O-CB 3.31Å; T946-L950 WeakPolarHBondContact O-CB 3.44Å; T946-L950 WeakPolarHBondContact O-CG 3.23Å; T946-L950 PolarHBondContact O-N 3.08Å; T946-L985 HydrophobicContact CG2-CD2 4.17Å |
| 947 | C | 86.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.8 | -67.6 | 0 | 0 | 0 | 0 | 109.8 | Y851 A854 W943 H944 Q945 Q949 L950 E951 | Y851-C947 HydrophobicContact CE2-CB 4.15Å; Y851-C947 WeakPolarHBondContact CE2-O 3.36Å; A854-C947 VanDerWaalsContact C-SG 3.54Å; W943-C947 PolarHBondContact O-N 3.28Å; W943-C947 PolarHBondContact O-SG 3.48Å; H944-C947 WeakPolarHBondContact O-CB 3.5Å; H944-C947 PolarHBondContact O-N 2.83Å; Q945-C947 PolarHBondContact O-N 2.99Å; C947-Q949 PolarHBondContact O-N 3.42Å; C947-L950 PolarHBondContact O-N 2.86Å; C947-E951 WeakPolarHBondContact O-CB 3.37Å; C947-E951 PolarHBondContact O-N 2.96Å |
| 948 | A | 83.5 | Confident | 82.8 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 35% | 0.347 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | H944 Q945 T946 E951 D952 | H944-A948 PolarHBondContact O-N 2.68Å; Q945-A948 PolarHBondContact O-N 3.42Å; T946-A948 VanDerWaalsContact C-N 3.33Å; A948-E951 PolarHBondContact O-N 3.32Å; A948-D952 PolarHBondContact O-N 3.4Å |
| 949 | Q | 86.2 | Confident | 82.4 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.2 | -68.1 | 171.6 | -9.2 | 0 | 0 | 112.9 | Q945 T946 C947 E951 D952 I953 L985 W1177 | Q945-Q949 VanDerWaalsContact O-CG 3.28Å; Q945-Q949 WeakPolarHBondContact O-CG 3.43Å; Q945-Q949 PolarHBondContact O-N 3.46Å; T946-Q949 PolarHBondContact O-N 3.14Å; C947-Q949 PolarHBondContact O-N 3.42Å; Q949-E951 VanDerWaalsContact C-N 3.32Å; Q949-D952 PolarHBondContact O-N 3.07Å; Q949-I953 VanDerWaalsContact O-CG1 3.25Å; Q949-I953 WeakPolarHBondContact O-CG1 3.46Å; Q949-I953 PolarHBondContact O-N 3.27Å; Q949-L985 HydrophobicContact CB-CD1 3.75Å; Q949-L985 HydrophobicContact CB-CD2 4.21Å; Q949-W1177 HydrophobicContact CB-CH2 3.89Å; Q949-W1177 HydrophobicContact CB-CZ2 4Å; Q949-W1177 HydrophobicContact CB-CZ3 4.25Å; Q949-W1177 HydrophobicContact CG-CD2 4.17Å; Q949-W1177 HydrophobicContact CG-CE3 4.47Å; Q949-W1177 HydrophobicContact CG-CH2 4.11Å; Q949-W1177 HydrophobicContact CG-CZ2 3.75Å; Q949-W1177 HydrophobicContact CG-CZ3 4.44Å |
| 950 | L | 86 | Confident | 82 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 177.1 | -78.5 | 170 | 0 | 0 | 0 | 111.4 | L847 A850 Y851 A854 T946 C947 I953 L954 L985 | L847-L950 HydrophobicContact CD2-CD2 4.4Å; A850-L950 HydrophobicContact CB-CD1 4.18Å; A850-L950 HydrophobicContact CB-CD2 4.07Å; Y851-L950 HydrophobicContact CD2-CB 4.17Å; A854-L950 HydrophobicContact CB-CD1 3.87Å; T946-L950 VanDerWaalsContact O-CB 3.31Å; T946-L950 WeakPolarHBondContact O-CB 3.44Å; T946-L950 WeakPolarHBondContact O-CG 3.23Å; T946-L950 PolarHBondContact O-N 3.08Å; C947-L950 PolarHBondContact O-N 2.86Å; L950-I953 PolarHBondContact O-N 2.95Å; L950-L954 WeakPolarHBondContact O-CB 3.4Å; L950-L954 PolarHBondContact O-N 3.48Å; L950-L985 HydrophobicContact CD2-CB 3.87Å; L950-L985 HydrophobicContact CD2-CD2 3.89Å; L950-L985 HydrophobicContact CD2-CG 4.47Å; L950-L985 HydrophobicContact CG-CD2 3.78Å |
| 951 | E | 81.5 | Confident | 81.3 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 176.5 | -159.9 | -173.6 | 177.2 | 0 | 0 | 111.5 | H627 L631 Y851 C947 A948 Q949 I953 L954 T955 R1055 | H627-E951 IonicContact CD2-OE1 3.07Å; H627-E951 PolarHBondContact CD2-OE1 2.83Å; H627-E951 VanDerWaalsContact CD2-OE1 3.24Å; H627-E951 IonicContact NE2-OE1 2.74Å; H627-E951 PolarHBondContact NE2-OE1 2.95Å; L631-E951 HydrophobicContact CD1-CG 3.75Å; Y851-E951 HydrophobicContact CD2-CB 4.26Å; Y851-E951 HydrophobicContact CE2-CB 3.86Å; Y851-E951 HydrophobicContact CE2-CG 4.21Å; C947-E951 WeakPolarHBondContact O-CB 3.37Å; C947-E951 PolarHBondContact O-N 2.96Å; A948-E951 PolarHBondContact O-N 3.32Å; Q949-E951 VanDerWaalsContact C-N 3.32Å; E951-I953 PolarHBondContact O-N 3.28Å; E951-L954 PolarHBondContact O-N 3.02Å; E951-T955 WeakPolarHBondContact O-CG2 3.34Å; E951-T955 PolarHBondContact O-N 3.32Å; E951-T955 PolarHBondContact O-OG1 2.9Å; E951-R1055 IonicContact OE1-CZ 3.51Å; E951-R1055 IonicContact OE1-NH1 2.63Å; E951-R1055 IonicContact OE1-NH2 3.11Å; E951-R1055 PolarHBondContact OE1-NH2 3.46Å; E951-R1055 IonicContact OE2-CZ 2.77Å; E951-R1055 VanDerWaalsContact OE2-CZ 3.23Å; E951-R1055 IonicContact OE2-NH1 3.09Å; E951-R1055 PolarHBondContact OE2-NH1 3.23Å; E951-R1055 IonicContact OE2-NH2 2.84Å; E951-R1055 PolarHBondContact OE2-NH2 3.33Å |
| 952 | D | 80.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 23.4 Ų | 23.4 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 174.8 | -69.4 | -11.3 | 0 | 0 | 0 | 111.6 | A948 Q949 T955 V956 R1055 L1056 W1177 | A948-D952 PolarHBondContact O-N 3.4Å; Q949-D952 PolarHBondContact O-N 3.07Å; D952-T955 PolarHBondContact O-N 3.1Å; D952-T955 PolarHBondContact O-OG1 3.19Å; D952-V956 WeakPolarHBondContact O-CG2 3.44Å; D952-V956 PolarHBondContact O-N 3.02Å; D952-R1055 WeakPolarHBondContact OD1-CB 3.3Å; D952-R1055 WeakPolarHBondContact OD1-CD 3.47Å; D952-R1055 IonicContact OD1-CZ 3.97Å; D952-R1055 IonicContact OD1-NH1 3.27Å; D952-R1055 PolarHBondContact OD1-NH1 2.82Å; D952-L1056 HydrophobicContact CB-CD1 4.16Å; D952-L1056 HydrophobicContact CB-CD2 4.28Å; D952-L1056 HydrophobicContact CB-CG 4.26Å; D952-W1177 HydrophobicContact CB-CH2 4.41Å; D952-W1177 HydrophobicContact CB-CZ2 4.41Å |
| 953 | I | 84.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.6 | -67.1 | 173.7 | 0 | 0 | 0 | 111 | L847 Q949 L950 E951 T955 V956 G957 F983 L985 V988 W1177 | L847-I953 HydrophobicContact CD1-CB 4.43Å; L847-I953 HydrophobicContact CD1-CG2 3.38Å; L847-I953 HydrophobicContact CD2-CG2 3.71Å; L847-I953 HydrophobicContact CG-CG2 4.18Å; Q949-I953 VanDerWaalsContact O-CG1 3.25Å; Q949-I953 WeakPolarHBondContact O-CG1 3.46Å; Q949-I953 PolarHBondContact O-N 3.27Å; L950-I953 PolarHBondContact O-N 2.95Å; E951-I953 PolarHBondContact O-N 3.28Å; I953-T955 PolarHBondContact O-N 3.47Å; I953-V956 PolarHBondContact O-N 3.34Å; I953-G957 PolarHBondContact O-N 3.36Å; I953-F983 HydrophobicContact CB-CE2 4.28Å; I953-F983 HydrophobicContact CG2-CD2 3.61Å; I953-F983 HydrophobicContact CG2-CE2 3.17Å; I953-F983 HydrophobicContact CG2-CZ 4.05Å; I953-L985 HydrophobicContact CD1-CB 3.72Å; I953-L985 HydrophobicContact CD1-CD1 3.36Å; I953-L985 HydrophobicContact CD1-CG 4.09Å; I953-V988 HydrophobicContact CD1-CB 4.18Å; I953-V988 HydrophobicContact CD1-CG2 3.87Å; I953-V988 HydrophobicContact CG1-CG2 4.26Å; I953-W1177 HydrophobicContact CD1-CH2 4.27Å; I953-W1177 HydrophobicContact CD1-CZ3 3.91Å; I953-W1177 HydrophobicContact CG1-CH2 3.9Å; I953-W1177 HydrophobicContact CG1-CZ3 3.96Å |
| 954 | L | 82 | Confident | 77.3 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -179.5 | -177.9 | 152.2 | 0 | 0 | 0 | 111.3 | L631 L847 L950 E951 V956 G957 L958 | L631-L954 HydrophobicContact CD1-CD2 4.02Å; L631-L954 HydrophobicContact CD2-CD1 4.33Å; L631-L954 HydrophobicContact CD2-CD2 3.64Å; L631-L954 HydrophobicContact CG-CD2 3.94Å; L847-L954 HydrophobicContact CB-CB 4.22Å; L847-L954 HydrophobicContact CB-CD1 4.28Å; L847-L954 HydrophobicContact CB-CG 4.45Å; L950-L954 WeakPolarHBondContact O-CB 3.4Å; L950-L954 PolarHBondContact O-N 3.48Å; E951-L954 PolarHBondContact O-N 3.02Å; L954-V956 VanDerWaalsContact C-N 3.32Å; L954-V956 PolarHBondContact O-N 3.49Å; L954-G957 WeakPolarHBondContact O-CA 3.12Å; L954-G957 PolarHBondContact O-N 2.75Å; L954-G957 VanDerWaalsContact O-N 3.11Å; L954-L958 HydrophobicContact CD2-CD1 3.72Å; L954-L958 HydrophobicContact CD2-CG 4.13Å; L954-L958 WeakPolarHBondContact O-CG 3.35Å; L954-L958 PolarHBondContact O-N 3.25Å |
| 955 | T | 77 | Confident | 75.6 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | L631 E951 D952 I953 I959 | L631-T955 HydrophobicContact CD1-CG2 4.28Å; E951-T955 WeakPolarHBondContact O-CG2 3.34Å; E951-T955 PolarHBondContact O-N 3.32Å; E951-T955 PolarHBondContact O-OG1 2.9Å; D952-T955 PolarHBondContact O-N 3.1Å; D952-T955 PolarHBondContact O-OG1 3.19Å; I953-T955 PolarHBondContact O-N 3.47Å; T955-I959 WeakPolarHBondContact O-CG1 3.26Å; T955-I959 PolarHBondContact O-N 3.21Å |
| 956 | V | 78.2 | Confident | 73.7 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 172.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | D952 I953 L954 L958 I959 L960 F983 L1056 | D952-V956 WeakPolarHBondContact O-CG2 3.44Å; D952-V956 PolarHBondContact O-N 3.02Å; I953-V956 PolarHBondContact O-N 3.34Å; L954-V956 VanDerWaalsContact C-N 3.32Å; L954-V956 PolarHBondContact O-N 3.49Å; V956-L958 PolarHBondContact O-N 3.49Å; V956-I959 PolarHBondContact O-N 3.28Å; V956-L960 HydrophobicContact CG1-CD1 4.17Å; V956-L960 WeakPolarHBondContact O-CG 3.35Å; V956-L960 PolarHBondContact O-N 3.22Å; V956-F983 HydrophobicContact CG1-CZ 4.37Å; V956-L1056 HydrophobicContact CG2-CD1 3.61Å |
| 957 | G | 78.2 | Confident | 71.8 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I953 L954 I959 L960 L961 | I953-G957 PolarHBondContact O-N 3.36Å; L954-G957 WeakPolarHBondContact O-CA 3.12Å; L954-G957 PolarHBondContact O-N 2.75Å; L954-G957 VanDerWaalsContact O-N 3.11Å; G957-I959 VanDerWaalsContact C-N 3.31Å; G957-I959 PolarHBondContact O-N 3.21Å; G957-L960 PolarHBondContact O-N 3.47Å; G957-L961 WeakPolarHBondContact O-CG 3.4Å; G957-L961 PolarHBondContact O-N 3.04Å; G957-L961 VanDerWaalsContact O-N 3.15Å |
| 958 | L | 74.1 | Confident | 69.6 | Low | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 176.7 | -70.3 | 174.2 | 0 | 0 | 0 | 112.9 | V634 C635 I638 L954 V956 L960 L961 C962 I1048 | V634-L958 HydrophobicContact CG1-CD1 4.39Å; C635-L958 HydrophobicContact CB-CD2 4.31Å; I638-L958 HydrophobicContact CD1-CB 4.5Å; I638-L958 HydrophobicContact CD1-CD2 4.23Å; L954-L958 HydrophobicContact CD2-CD1 3.72Å; L954-L958 HydrophobicContact CD2-CG 4.13Å; L954-L958 WeakPolarHBondContact O-CG 3.35Å; L954-L958 PolarHBondContact O-N 3.25Å; V956-L958 PolarHBondContact O-N 3.49Å; L958-L960 VanDerWaalsContact C-N 3.34Å; L958-L961 PolarHBondContact O-N 3.12Å; L958-C962 PolarHBondContact O-N 3.38Å; L958-C962 PolarHBondContact O-SG 2.85Å; L958-I1048 HydrophobicContact CB-CG2 4.14Å |
| 959 | I | 74.1 | Confident | 67.4 | Low | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.3 | -59.9 | 166 | 0 | 0 | 0 | 110.5 | T955 V956 G957 L961 C962 F1000 W1003 I1048 F1049 A1052 | T955-I959 WeakPolarHBondContact O-CG1 3.26Å; T955-I959 PolarHBondContact O-N 3.21Å; V956-I959 PolarHBondContact O-N 3.28Å; G957-I959 VanDerWaalsContact C-N 3.31Å; G957-I959 PolarHBondContact O-N 3.21Å; I959-L961 PolarHBondContact O-N 2.95Å; I959-C962 PolarHBondContact O-N 3Å; I959-F1000 HydrophobicContact CG2-CE2 3.83Å; I959-W1003 HydrophobicContact CG2-CH2 4.31Å; I959-I1048 HydrophobicContact CD1-CG2 4.15Å; I959-I1048 HydrophobicContact CG1-CB 4.27Å; I959-I1048 HydrophobicContact CG1-CG2 3.39Å; I959-F1049 HydrophobicContact CD1-CB 4.26Å; I959-F1049 HydrophobicContact CD1-CD2 4.05Å; I959-A1052 HydrophobicContact CD1-CB 3.49Å; I959-A1052 VanDerWaalsContact CD1-CB 3.49Å |
| 960 | L | 73.1 | Confident | 65.1 | Low | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -30.2 | -178.2 | -63.2 | 170 | 0 | 0 | 0 | 112.3 | V956 G957 L958 F981 F983 V999 F1000 W1003 | V956-L960 HydrophobicContact CG1-CD1 4.17Å; V956-L960 WeakPolarHBondContact O-CG 3.35Å; V956-L960 PolarHBondContact O-N 3.22Å; G957-L960 PolarHBondContact O-N 3.47Å; L958-L960 VanDerWaalsContact C-N 3.34Å; L960-F981 HydrophobicContact CB-CD2 3.95Å; L960-F981 HydrophobicContact CB-CG 4.4Å; L960-F981 HydrophobicContact CD1-CB 4.16Å; L960-F981 HydrophobicContact CD1-CG 4.3Å; L960-F983 HydrophobicContact CD1-CD1 4.44Å; L960-F983 HydrophobicContact CD1-CE1 3.57Å; L960-F983 HydrophobicContact CD1-CZ 3.92Å; L960-V999 HydrophobicContact CD1-CG1 3.49Å; L960-V999 VanDerWaalsContact CD1-CG1 3.49Å; L960-V999 HydrophobicContact CD2-CG1 4.26Å; L960-F1000 HydrophobicContact CD2-CD2 4.46Å; L960-W1003 HydrophobicContact CD2-CB 3.37Å; L960-W1003 HydrophobicContact CD2-CD2 4.2Å; L960-W1003 HydrophobicContact CD2-CG 3.52Å; L960-W1003 PolarHBondContact O-NE1 3.25Å |
| 961 | L | 68.7 | Low | 63 | Low | 50 Ų | 50 | 55 Ų | 55 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -83.5 | -17.2 | 179.2 | -67.6 | 169.6 | 0 | 0 | 0 | 113.7 | I638 L639 G957 L958 I959 P963 T980 | I638-L961 HydrophobicContact CG2-CB 4.46Å; L639-L961 HydrophobicContact CD2-CD1 3.41Å; L639-L961 VanDerWaalsContact CD2-CD1 3.41Å; G957-L961 WeakPolarHBondContact O-CG 3.4Å; G957-L961 PolarHBondContact O-N 3.04Å; G957-L961 VanDerWaalsContact O-N 3.15Å; L958-L961 PolarHBondContact O-N 3.12Å; I959-L961 PolarHBondContact O-N 2.95Å; L961-P963 WeakPolarHBondContact O-CD 3.17Å; L961-T980 HydrophobicContact CD2-CG2 3.77Å |
| 962 | C | 63 | Low | 60.8 | Low | 13 Ų | 13 | 59.6 Ų | 59.6 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -76.4 | 111.7 | 178 | -75.8 | 0 | 0 | 0 | 0 | 111 | L958 I959 M964 | L958-C962 PolarHBondContact O-N 3.38Å; L958-C962 PolarHBondContact O-SG 2.85Å; I959-C962 PolarHBondContact O-N 3Å; C962-M964 PolarHBondContact O-N 3.31Å |
| 963 | P | 55.6 | Low | 58.6 | Low | 44 Ų | 44 | 63.3 Ų | 63.3 | 29% | 0.286 | 32% | 0.319 | S | S | . | . | trans | -64.5 | 128.4 | 179.7 | 24.9 | -32.4 | 0 | 0 | 0 | 111 | L961 L966 K1045 | L961-P963 WeakPolarHBondContact O-CD 3.17Å; P963-L966 HydrophobicContact CG-CD2 4.17Å; P963-K1045 VanDerWaalsContact O-CE 3.32Å; P963-K1045 WeakPolarHBondContact O-CE 3.29Å; P963-K1045 PolarHBondContact O-NZ 3.39Å | ||
| 964 | M | 54.2 | Low | 56.1 | Low | 61 Ų | 61 | 70.9 Ų | 70.9 | 30% | 0.3 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -70 | -34.5 | -178 | -84.4 | -64.1 | -74.9 | 0 | 0 | 112.5 | C962 W1003 I1009 K1045 | C962-M964 PolarHBondContact O-N 3.31Å; M964-W1003 HydrophobicContact CG-CH2 3.51Å; M964-W1003 HydrophobicContact CG-CZ2 3.53Å; M964-W1003 HydrophobicContact SD-CH2 3.87Å; M964-W1003 HydrophobicContact SD-CZ2 4.31Å; M964-I1009 HydrophobicContact CE-CD1 4.29Å; M964-I1009 HydrophobicContact CG-CD1 4.07Å; M964-K1045 PolarHBondContact O-NZ 3.04Å; M964-K1045 HydrophobicContact SD-CD 3.89Å |
| 965 | N | 50.5 | Low | 53.8 | Low | 92 Ų | 92 | 77.9 Ų | 77.9 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | trans | -121 | 87.7 | -178.8 | -83.6 | -37.3 | 0 | 0 | 0 | 112 | K967 K968 | N965-K967 PolarHBondContact O-N 3.27Å; N965-K967 VanDerWaalsContact O-N 3.09Å; N965-K968 PolarHBondContact O-N 2.91Å | ||
| 966 | L | 44.8 | Very low | 51.6 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.8 | -25.3 | 174.7 | -78 | 158.7 | 0 | 0 | 0 | 113.5 | P963 K968 F970 P1041 | P963-L966 HydrophobicContact CG-CD2 4.17Å; L966-K968 PolarHBondContact O-N 3.38Å; L966-F970 HydrophobicContact CD2-CE2 4.5Å; L966-F970 WeakPolarHBondContact O-CD2 3.31Å; L966-P1041 HydrophobicContact CD1-CB 3.69Å; L966-P1041 HydrophobicContact CD1-CG 3.25Å |
| 967 | K | 44.5 | Very low | 49.6 | Very low | 188 Ų | 188 | 89.5 Ų | 89.5 | 82% | 0.817 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67 | -20.4 | -179.7 | -71.7 | -171.6 | 177 | -176.8 | 0 | 114 | N965 | N965-K967 PolarHBondContact O-N 3.27Å; N965-K967 VanDerWaalsContact O-N 3.09Å |
| 968 | K | 40.4 | Very low | 47.7 | Very low | 118 Ų | 118 | 92.9 Ų | 92.9 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -85.9 | -39.1 | -178.9 | -80.4 | -171.2 | 172.2 | -172.6 | 0 | 113 | N965 L966 F970 Q971 I1359 | N965-K968 PolarHBondContact O-N 2.91Å; L966-K968 PolarHBondContact O-N 3.38Å; K968-F970 PolarHBondContact O-N 3.3Å; K968-Q971 PolarHBondContact O-N 2.99Å; K968-I1359 VanDerWaalsContact CE-CD1 3.45Å |
| 969 | E | 37.1 | Very low | 46.4 | Very low | 105 Ų | 105 | 99.5 Ų | 99.5 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.9 | -28.5 | -176.7 | -72.8 | 179.5 | 169.1 | 0 | 0 | 113.6 | Q971 D972 | E969-Q971 PolarHBondContact O-N 3.41Å; E969-D972 PolarHBondContact O-N 3.35Å |
| 970 | F | 38 | Very low | 45.2 | Very low | 174 Ų | 174 | 101.9 Ų | 101.9 | 76% | 0.763 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.6 | 176.9 | -81.7 | -71.7 | 0 | 0 | 0 | 114.3 | L966 K968 | L966-F970 HydrophobicContact CD2-CE2 4.5Å; L966-F970 WeakPolarHBondContact O-CD2 3.31Å; K968-F970 PolarHBondContact O-N 3.3Å |
| 971 | Q | 41.4 | Very low | 44.5 | Very low | 148 Ų | 148 | 103.9 Ų | 103.9 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -27.8 | 175.5 | -72.7 | -174.3 | -13.6 | 0 | 0 | 112.5 | K968 E969 S973 | K968-Q971 PolarHBondContact O-N 2.99Å; E969-Q971 PolarHBondContact O-N 3.41Å; Q971-S973 PolarHBondContact O-N 3.11Å |
| 972 | D | 35.9 | Very low | 44.4 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | trans | -95 | 64.9 | 178.5 | -65.7 | -28 | 0 | 0 | 0 | 110.8 | E969 H974 | E969-D972 PolarHBondContact O-N 3.35Å; D972-H974 PolarHBondContact O-N 3.01Å | ||
| 973 | S | 35.3 | Very low | 44.9 | Very low | 99 Ų | 99 | 109 Ų | 109 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | trans | -70.9 | 26.4 | 176.9 | 59.9 | 0 | 0 | 0 | 0 | 115 | Q971 | Q971-S973 PolarHBondContact O-N 3.11Š| ||
| 974 | H | 32.6 | Very low | 46.1 | Very low | 158 Ų | 158 | 107.1 Ų | 107.1 | 73% | 0.731 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -118.9 | 93.5 | 175.1 | -71 | -50.7 | 0 | 0 | 0 | 111.2 | D972 S976 | D972-H974 PolarHBondContact O-N 3.01Å; H974-S976 VanDerWaalsContact C-N 3.32Å; H974-S976 PolarHBondContact O-N 3.4Å |
| 975 | H | 33.8 | Very low | 47.4 | Very low | 154 Ų | 154 | 104.2 Ų | 104.2 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | trans | 53.5 | 15.6 | 152.1 | -65.2 | -61.1 | 0 | 0 | 0 | 121 | Y977 | H975-Y977 PolarHBondContact O-N 3.42Š| ||
| 976 | S | 30.2 | Very low | 49 | Very low | 69 Ų | 69 | 103.9 Ų | 103.9 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | trans | -74.2 | 100.5 | 167.8 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | H974 | H974-S976 VanDerWaalsContact C-N 3.32Å; H974-S976 PolarHBondContact O-N 3.4Å | ||
| 977 | Y | 36.9 | Very low | 50.3 | Low | 185 Ų | 185 | 104 Ų | 104 | 73% | 0.725 | 49% | 0.487 | S | S | * | . | trans | -48.9 | 138.1 | 168.7 | -71.4 | -91.6 | 0 | 0 | 0 | 110 | H975 Y979 | H975-Y977 PolarHBondContact O-N 3.42Å; Y977-Y979 PolarHBondContact O-N 3.49Å; Y977-Y979 VanDerWaalsContact O-N 3.07Å | ||
| 978 | P | 37.4 | Very low | 51.9 | Low | 77 Ų | 77 | 95 Ų | 95 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | trans | -58.4 | 118.3 | 178.4 | 21.7 | -29.2 | 0 | 0 | 0 | 109.1 | P640 T980 | P640-P978 HydrophobicContact CG-CG 4.03Å; P978-T980 PolarHBondContact O-N 3.46Å | ||
| 979 | Y | 46.6 | Very low | 53.5 | Low | 149 Ų | 149 | 90.9 Ų | 90.9 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | trans | -64.2 | 106.3 | -174.1 | -74.5 | -84.7 | 0 | 0 | 0 | 111.3 | Y977 | Y977-Y979 PolarHBondContact O-N 3.49Å; Y977-Y979 VanDerWaalsContact O-N 3.07Å | ||
| 980 | T | 49.2 | Very low | 55 | Low | 64 Ų | 64 | 88.3 Ų | 88.3 | 39% | 0.393 | 42% | 0.423 | S | S | . | . | trans | -84.3 | 122.6 | 175.3 | 11.5 | 0 | 0 | 0 | 0 | 111.5 | L961 P978 Y982 | L961-T980 HydrophobicContact CD2-CG2 3.77Å; P978-T980 PolarHBondContact O-N 3.46Å; T980-Y982 WeakPolarHBondContact O-CD2 3.46Å; T980-Y982 PolarHBondContact O-N 3.33Å; T980-Y982 VanDerWaalsContact OG1-CZ 3.27Å; T980-Y982 PolarHBondContact OG1-OH 3.49Å | ||
| 981 | F | 58.9 | Low | 56.1 | Low | 49 Ų | 49 | 83.2 Ų | 83.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | trans | -73.2 | 106.2 | 165 | -79.6 | -94.4 | 0 | 0 | 0 | 108.5 | L960 F983 V999 W1003 K1006 | L960-F981 HydrophobicContact CB-CD2 3.95Å; L960-F981 HydrophobicContact CB-CG 4.4Å; L960-F981 HydrophobicContact CD1-CB 4.16Å; L960-F981 HydrophobicContact CD1-CG 4.3Å; F981-F983 HydrophobicContact CB-CD1 4.23Å; F981-F983 HydrophobicContact CB-CE1 4.35Å; F981-F983 WeakPolarHBondContact O-CD1 3.39Å; F981-F983 PolarHBondContact O-N 3.25Å; F981-V999 HydrophobicContact CD1-CG1 3.94Å; F981-V999 HydrophobicContact CE1-CG1 4.47Å; F981-W1003 HydrophobicContact CE2-CB 4.33Å; F981-W1003 AromaticContact CE2-CD1 3.71Å; F981-W1003 HydrophobicContact CE2-CG 4.44Å; F981-W1003 HydrophobicContact CZ-CB 3.98Å; F981-K1006 HydrophobicContact CZ-CD 4.47Å | ||
| 982 | Y | 65.1 | Low | 57.5 | Low | 163 Ų | 163 | 76.9 Ų | 76.9 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | trans | -82.7 | 95.3 | 179.6 | -62.6 | -73.8 | 0 | 0 | 0 | 111.1 | Y845 T980 | Y845-Y982 HydrophobicContact CD1-CD1 4.4Å; Y845-Y982 HydrophobicContact CG-CD1 4.43Å; T980-Y982 WeakPolarHBondContact O-CD2 3.46Å; T980-Y982 PolarHBondContact O-N 3.33Å; T980-Y982 VanDerWaalsContact OG1-CZ 3.27Å; T980-Y982 PolarHBondContact OG1-OH 3.49Å | ||
| 983 | F | 73.6 | Confident | 59.2 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | trans | -128.4 | 150.7 | 167.8 | 63.3 | -71.4 | 0 | 0 | 0 | 110.1 | L847 I953 V956 L960 F981 V988 Y995 L996 | L847-F983 HydrophobicContact CD1-CE2 4.45Å; L847-F983 HydrophobicContact CD1-CZ 4.33Å; I953-F983 HydrophobicContact CB-CE2 4.28Å; I953-F983 HydrophobicContact CG2-CD2 3.61Å; I953-F983 HydrophobicContact CG2-CE2 3.17Å; I953-F983 HydrophobicContact CG2-CZ 4.05Å; V956-F983 HydrophobicContact CG1-CZ 4.37Å; L960-F983 HydrophobicContact CD1-CD1 4.44Å; L960-F983 HydrophobicContact CD1-CE1 3.57Å; L960-F983 HydrophobicContact CD1-CZ 3.92Å; F981-F983 HydrophobicContact CB-CD1 4.23Å; F981-F983 HydrophobicContact CB-CE1 4.35Å; F981-F983 WeakPolarHBondContact O-CD1 3.39Å; F981-F983 PolarHBondContact O-N 3.25Å; F983-V988 HydrophobicContact CD2-CG2 4.32Å; F983-Y995 HydrophobicContact CB-CE1 3.92Å; F983-L996 HydrophobicContact CD2-CD2 4.13Å; F983-L996 HydrophobicContact CE2-CD2 3.91Å | ||
| 984 | N | 81.1 | Confident | 60.9 | Low | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | trans | -131.6 | 167.5 | 179.3 | 67.2 | 24.1 | 0 | 0 | 0 | 110.3 | D843 S844 Y845 R986 Y987 V988 | D843-N984 PolarHBondContact O-ND2 3.47Å; S844-N984 WeakPolarHBondContact O-CB 3.28Å; Y845-N984 HydrophobicContact CD1-CB 4.22Å; Y845-N984 HydrophobicContact CE1-CB 4.4Å; N984-R986 VanDerWaalsContact C-N 3.29Å; N984-R986 PolarHBondContact O-N 2.81Å; N984-R986 WeakPolarHBondContact OD1-CB 3.12Å; N984-R986 PolarHBondContact OD1-N 2.97Å; N984-Y987 PolarHBondContact O-N 2.86Å; N984-Y987 WeakPolarHBondContact OD1-CD2 3.5Å; N984-Y987 PolarHBondContact OD1-N 2.95Å; N984-V988 WeakPolarHBondContact O-CG2 3.33Å; N984-V988 PolarHBondContact O-N 3.44Å | ||
| 985 | L | 82.8 | Confident | 62.9 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | -178.6 | 179.2 | 57.3 | 0 | 0 | 0 | 112 | L842 T946 Q949 L950 I953 Y987 V988 L989 W1177 | L842-L985 HydrophobicContact CD2-CB 4.08Å; L842-L985 HydrophobicContact CD2-CD2 3.35Å; L842-L985 HydrophobicContact CD2-CG 3.54Å; L842-L985 PolarHBondContact O-N 3.07Å; T946-L985 HydrophobicContact CG2-CD2 4.17Å; Q949-L985 HydrophobicContact CB-CD1 3.75Å; Q949-L985 HydrophobicContact CB-CD2 4.21Å; L950-L985 HydrophobicContact CD2-CB 3.87Å; L950-L985 HydrophobicContact CD2-CD2 3.89Å; L950-L985 HydrophobicContact CD2-CG 4.47Å; L950-L985 HydrophobicContact CG-CD2 3.78Å; I953-L985 HydrophobicContact CD1-CB 3.72Å; I953-L985 HydrophobicContact CD1-CD1 3.36Å; I953-L985 HydrophobicContact CD1-CG 4.09Å; L985-Y987 PolarHBondContact O-N 3.21Å; L985-V988 PolarHBondContact O-N 3.36Å; L985-L989 HydrophobicContact CD1-CD1 4.24Å; L985-L989 HydrophobicContact CD1-CD2 4.09Å; L985-L989 HydrophobicContact CD1-CG 3.82Å; L985-L989 HydrophobicContact CG-CD1 3.98Å; L985-L989 HydrophobicContact CG-CG 4.06Å; L985-L989 WeakPolarHBondContact O-CB 3.44Å; L985-L989 VanDerWaalsContact O-CG 3.27Å; L985-L989 WeakPolarHBondContact O-CG 3.49Å; L985-L989 PolarHBondContact O-N 3.16Å; L985-W1177 HydrophobicContact CD1-CE3 4.16Å; L985-W1177 HydrophobicContact CD1-CZ3 3.77Å |
| 986 | R | 82.5 | Confident | 65.1 | Low | 85 Ų | 85 | 58.2 Ų | 58.2 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 175.5 | -175.4 | 76.4 | 74.7 | 171.5 | 9.3 | 112.4 | S839 L842 D843 N984 V988 L989 T990 | S839-R986 PolarHBondContact OG-NH2 2.74Å; L842-R986 HydrophobicContact CB-CB 4.19Å; L842-R986 WeakPolarHBondContact O-CB 3.33Å; L842-R986 PolarHBondContact O-N 2.96Å; D843-R986 IonicContact OD1-CZ 3.93Å; D843-R986 IonicContact OD1-NE 3.24Å; D843-R986 PolarHBondContact OD1-NE 2.96Å; D843-R986 IonicContact OD1-NH2 3.4Å; D843-R986 PolarHBondContact OD1-NH2 3.36Å; D843-R986 IonicContact OD2-NH2 3.62Å; D843-R986 PolarHBondContact OD2-NH2 2.76Å; N984-R986 VanDerWaalsContact C-N 3.29Å; N984-R986 PolarHBondContact O-N 2.81Å; N984-R986 WeakPolarHBondContact OD1-CB 3.12Å; N984-R986 PolarHBondContact OD1-N 2.97Å; R986-V988 VanDerWaalsContact C-N 3.32Å; R986-V988 PolarHBondContact O-N 3.33Å; R986-L989 PolarHBondContact O-N 3.18Å; R986-T990 HydrophobicContact CG-CG2 4.44Å; R986-T990 WeakPolarHBondContact O-CB 3.4Å; R986-T990 VanDerWaalsContact O-CG2 3.3Å; R986-T990 WeakPolarHBondContact O-CG2 3.41Å; R986-T990 PolarHBondContact O-N 2.98Å; R986-T990 PolarHBondContact O-OG1 3.4Å |
| 987 | Y | 73.7 | Confident | 67.4 | Low | 71 Ų | 71 | 55 Ų | 55 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.1 | -80.3 | -65.9 | 0 | 0 | 0 | 110.9 | N984 L985 T990 H991 | N984-Y987 PolarHBondContact O-N 2.86Å; N984-Y987 WeakPolarHBondContact OD1-CD2 3.5Å; N984-Y987 PolarHBondContact OD1-N 2.95Å; L985-Y987 PolarHBondContact O-N 3.21Å; Y987-T990 VanDerWaalsContact CA-OG1 3.32Å; Y987-T990 WeakPolarHBondContact CA-OG1 3.31Å; Y987-T990 PolarHBondContact O-N 2.85Å; Y987-T990 PolarHBondContact O-OG1 3.1Å; Y987-H991 AromaticContact CD1-CD2 3.98Å; Y987-H991 AromaticContact CD1-NE2 3.89Å; Y987-H991 WeakPolarHBondContact O-CB 3.49Å; Y987-H991 PolarHBondContact O-CD2 3.32Å; Y987-H991 VanDerWaalsContact O-CD2 3.27Å; Y987-H991 PolarHBondContact O-N 3.06Å |
| 988 | V | 77.1 | Confident | 69.5 | Low | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 177.4 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | I953 F983 N984 L985 R986 T990 G992 Y995 L996 W1177 | I953-V988 HydrophobicContact CD1-CB 4.18Å; I953-V988 HydrophobicContact CD1-CG2 3.87Å; I953-V988 HydrophobicContact CG1-CG2 4.26Å; F983-V988 HydrophobicContact CD2-CG2 4.32Å; N984-V988 WeakPolarHBondContact O-CG2 3.33Å; N984-V988 PolarHBondContact O-N 3.44Å; L985-V988 PolarHBondContact O-N 3.36Å; R986-V988 VanDerWaalsContact C-N 3.32Å; R986-V988 PolarHBondContact O-N 3.33Å; V988-T990 VanDerWaalsContact C-N 3.32Å; V988-T990 PolarHBondContact O-N 3.11Å; V988-G992 CarbonylContact O-C 3.39Å; V988-G992 WeakPolarHBondContact O-CA 3.46Å; V988-G992 PolarHBondContact O-N 3.47Å; V988-Y995 HydrophobicContact CG2-CD1 4.18Å; V988-L996 HydrophobicContact CG1-CD1 4.01Å; V988-L996 HydrophobicContact CG1-CD2 4.22Å; V988-L996 HydrophobicContact CG1-CG 3.86Å; V988-L996 HydrophobicContact CG2-CD2 3.83Å; V988-L996 HydrophobicContact CG2-CG 4.36Å; V988-W1177 HydrophobicContact CB-CE3 4.13Å; V988-W1177 HydrophobicContact CB-CZ3 3.89Å; V988-W1177 HydrophobicContact CG1-CE3 3.46Å; V988-W1177 VanDerWaalsContact CG1-CE3 3.46Å; V988-W1177 HydrophobicContact CG1-CH2 4.35Å; V988-W1177 HydrophobicContact CG1-CZ3 3.29Å |
| 989 | L | 74.9 | Confident | 71.5 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -29.5 | 175.1 | -68.4 | 179.9 | 0 | 0 | 0 | 113 | L842 L985 R986 W1177 | L842-L989 HydrophobicContact CD1-CD1 4.12Å; L842-L989 HydrophobicContact CD2-CD1 3.69Å; L985-L989 HydrophobicContact CD1-CD1 4.24Å; L985-L989 HydrophobicContact CD1-CD2 4.09Å; L985-L989 HydrophobicContact CD1-CG 3.82Å; L985-L989 HydrophobicContact CG-CD1 3.98Å; L985-L989 HydrophobicContact CG-CG 4.06Å; L985-L989 WeakPolarHBondContact O-CB 3.44Å; L985-L989 VanDerWaalsContact O-CG 3.27Å; L985-L989 WeakPolarHBondContact O-CG 3.49Å; L985-L989 PolarHBondContact O-N 3.16Å; R986-L989 PolarHBondContact O-N 3.18Å; L989-W1177 HydrophobicContact CD2-CB 3.81Å; L989-W1177 HydrophobicContact CD2-CD2 4.36Å; L989-W1177 HydrophobicContact CD2-CE3 4.01Å; L989-W1177 HydrophobicContact CD2-CG 4.33Å |
| 990 | T | 67.5 | Low | 73.1 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 31% | 0.307 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -85.6 | -39.9 | -178.1 | 47.3 | 0 | 0 | 0 | 0 | 113 | R986 Y987 V988 | R986-T990 HydrophobicContact CG-CG2 4.44Å; R986-T990 WeakPolarHBondContact O-CB 3.4Å; R986-T990 VanDerWaalsContact O-CG2 3.3Å; R986-T990 WeakPolarHBondContact O-CG2 3.41Å; R986-T990 PolarHBondContact O-N 2.98Å; R986-T990 PolarHBondContact O-OG1 3.4Å; Y987-T990 VanDerWaalsContact CA-OG1 3.32Å; Y987-T990 WeakPolarHBondContact CA-OG1 3.31Å; Y987-T990 PolarHBondContact O-N 2.85Å; Y987-T990 PolarHBondContact O-OG1 3.1Å; V988-T990 VanDerWaalsContact C-N 3.32Å; V988-T990 PolarHBondContact O-N 3.11Å |
| 991 | H | 62.4 | Low | 74.8 | Confident | 67 Ų | 67 | 34.2 Ų | 34.2 | 31% | 0.31 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -90.6 | -15 | 178.7 | -66.1 | -70.4 | 0 | 0 | 0 | 113.5 | Y987 S994 Y995 | Y987-H991 AromaticContact CD1-CD2 3.98Å; Y987-H991 AromaticContact CD1-NE2 3.89Å; Y987-H991 WeakPolarHBondContact O-CB 3.49Å; Y987-H991 PolarHBondContact O-CD2 3.32Å; Y987-H991 VanDerWaalsContact O-CD2 3.27Å; Y987-H991 PolarHBondContact O-N 3.06Å; H991-S994 PolarHBondContact O-OG 2.93Å; H991-Y995 HydrophobicContact CB-CD2 4.46Å; H991-Y995 HydrophobicContact CB-CG 4.33Å |
| 992 | G | 70.6 | Confident | 75.8 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | trans | 82.4 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V988 S994 Y995 | V988-G992 CarbonylContact O-C 3.39Å; V988-G992 WeakPolarHBondContact O-CA 3.46Å; V988-G992 PolarHBondContact O-N 3.47Å; G992-S994 PolarHBondContact O-N 3.22Å; G992-Y995 WeakPolarHBondContact O-CB 3.5Å; G992-Y995 PolarHBondContact O-N 3.16Å; G992-Y995 VanDerWaalsContact O-N 3.13Å | ||
| 993 | R | 71.1 | Confident | 76.5 | Confident | 43 Ų | 43 | 26.3 Ų | 26.3 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.6 | -178.7 | -65.1 | -174.2 | -175.1 | -164.4 | 1.3 | 113.7 | Y995 L996 E1174 W1177 | R993-Y995 PolarHBondContact O-N 2.75Å; R993-Y995 VanDerWaalsContact O-N 3.12Å; R993-L996 WeakPolarHBondContact O-CB 3.26Å; R993-L996 PolarHBondContact O-N 3.01Å; R993-E1174 VanDerWaalsContact CD-OE2 3.29Å; R993-E1174 WeakPolarHBondContact CD-OE2 3.35Å; R993-E1174 IonicContact CZ-OE2 2.87Å; R993-E1174 IonicContact NE-OE2 2.88Å; R993-E1174 IonicContact NH1-OE1 3.8Å; R993-E1174 IonicContact NH1-OE2 2.88Å; R993-E1174 PolarHBondContact NH1-OE2 3.14Å; R993-W1177 HydrophobicContact CG-CD2 4.01Å; R993-W1177 HydrophobicContact CG-CG 4.03Å; R993-W1177 VanDerWaalsContact CZ-NE1 3.26Å |
| 994 | S | 70.3 | Confident | 76.8 | Confident | 16 Ų | 16 | 26.2 Ų | 26.2 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.5 | -30.5 | 174.2 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | H991 G992 L996 T997 G998 C1229 | H991-S994 PolarHBondContact O-OG 2.93Å; G992-S994 PolarHBondContact O-N 3.22Å; S994-L996 PolarHBondContact O-N 3.34Å; S994-T997 PolarHBondContact O-N 2.86Å; S994-G998 PolarHBondContact O-N 3.27Å; S994-G998 VanDerWaalsContact O-N 3.11Å; S994-C1229 PolarHBondContact OG-O 3.06Å |
| 995 | Y | 75.7 | Confident | 76.7 | Confident | 74 Ų | 74 | 26.6 Ų | 26.6 | 29% | 0.29 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.6 | 179.8 | -104.2 | 0 | 0 | 0 | 112.3 | F983 V988 H991 G992 R993 T997 G998 V999 | F983-Y995 HydrophobicContact CB-CE1 3.92Å; V988-Y995 HydrophobicContact CG2-CD1 4.18Å; H991-Y995 HydrophobicContact CB-CD2 4.46Å; H991-Y995 HydrophobicContact CB-CG 4.33Å; G992-Y995 WeakPolarHBondContact O-CB 3.5Å; G992-Y995 PolarHBondContact O-N 3.16Å; G992-Y995 VanDerWaalsContact O-N 3.13Å; R993-Y995 PolarHBondContact O-N 2.75Å; R993-Y995 VanDerWaalsContact O-N 3.12Å; Y995-T997 VanDerWaalsContact C-N 3.34Å; Y995-T997 PolarHBondContact O-N 3.31Å; Y995-G998 CarbonylContact O-C 3.5Å; Y995-G998 WeakPolarHBondContact O-CA 3.39Å; Y995-G998 PolarHBondContact O-N 3.1Å; Y995-V999 HydrophobicContact CD1-CG2 3.97Å; Y995-V999 HydrophobicContact CD2-CG2 4.45Å; Y995-V999 HydrophobicContact CE1-CG2 3.47Å; Y995-V999 VanDerWaalsContact CE1-CG2 3.47Å; Y995-V999 HydrophobicContact CE2-CG2 4.01Å; Y995-V999 HydrophobicContact CG-CG2 4.44Å; Y995-V999 VanDerWaalsContact CZ-CG2 3.49Å; Y995-V999 WeakPolarHBondContact O-CG2 3.48Å; Y995-V999 PolarHBondContact O-N 3.23Å |
| 996 | L | 78.9 | Confident | 76.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.5 | -65.7 | 178 | 0 | 0 | 0 | 111.5 | F983 V988 R993 S994 G998 V999 F1000 L1056 T1059 | F983-L996 HydrophobicContact CD2-CD2 4.13Å; F983-L996 HydrophobicContact CE2-CD2 3.91Å; V988-L996 HydrophobicContact CG1-CD1 4.01Å; V988-L996 HydrophobicContact CG1-CD2 4.22Å; V988-L996 HydrophobicContact CG1-CG 3.86Å; V988-L996 HydrophobicContact CG2-CD2 3.83Å; V988-L996 HydrophobicContact CG2-CG 4.36Å; R993-L996 WeakPolarHBondContact O-CB 3.26Å; R993-L996 PolarHBondContact O-N 3.01Å; S994-L996 PolarHBondContact O-N 3.34Å; L996-G998 VanDerWaalsContact C-N 3.29Å; L996-G998 PolarHBondContact O-N 3.38Å; L996-V999 PolarHBondContact O-N 3.06Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 PolarHBondContact O-N 3.34Å; L996-L1056 HydrophobicContact CD1-CD1 4.01Å; L996-T1059 HydrophobicContact CB-CG2 3.59Å; L996-T1059 HydrophobicContact CD1-CG2 4.42Å |
| 997 | T | 80.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 172.1 | -51.3 | 0 | 0 | 0 | 0 | 110.7 | S994 Y995 F1000 S1001 T1059 I1065 T1068 | S994-T997 PolarHBondContact O-N 2.86Å; Y995-T997 VanDerWaalsContact C-N 3.34Å; Y995-T997 PolarHBondContact O-N 3.31Å; T997-F1000 PolarHBondContact O-N 3.04Å; T997-S1001 VanDerWaalsContact O-CB 3.31Å; T997-S1001 WeakPolarHBondContact O-CB 3.44Å; T997-S1001 PolarHBondContact O-N 3.01Å; T997-S1001 PolarHBondContact O-OG 2.68Å; T997-T1059 WeakPolarHBondContact OG1-CG2 3.43Å; T997-T1059 PolarHBondContact OG1-O 2.98Å; T997-I1065 HydrophobicContact CG2-CG1 4.17Å; T997-T1068 HydrophobicContact CG2-CG2 3.99Å |
| 998 | G | 80.4 | Confident | 75.8 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S994 Y995 L996 S1001 S1002 | S994-G998 PolarHBondContact O-N 3.27Å; S994-G998 VanDerWaalsContact O-N 3.11Å; Y995-G998 CarbonylContact O-C 3.5Å; Y995-G998 WeakPolarHBondContact O-CA 3.39Å; Y995-G998 PolarHBondContact O-N 3.1Å; L996-G998 VanDerWaalsContact C-N 3.29Å; L996-G998 PolarHBondContact O-N 3.38Å; G998-S1001 PolarHBondContact O-N 3.06Å; G998-S1002 WeakPolarHBondContact O-CB 3.41Å; G998-S1002 PolarHBondContact O-N 3.05Å; G998-S1002 PolarHBondContact O-OG 2.89Å |
| 999 | V | 78.4 | Confident | 75.6 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 177.3 | 175 | 0 | 0 | 0 | 0 | 110.7 | L960 F981 Y995 L996 S1001 S1002 W1003 | L960-V999 HydrophobicContact CD1-CG1 3.49Å; L960-V999 VanDerWaalsContact CD1-CG1 3.49Å; L960-V999 HydrophobicContact CD2-CG1 4.26Å; F981-V999 HydrophobicContact CD1-CG1 3.94Å; F981-V999 HydrophobicContact CE1-CG1 4.47Å; Y995-V999 HydrophobicContact CD1-CG2 3.97Å; Y995-V999 HydrophobicContact CD2-CG2 4.45Å; Y995-V999 HydrophobicContact CE1-CG2 3.47Å; Y995-V999 VanDerWaalsContact CE1-CG2 3.47Å; Y995-V999 HydrophobicContact CE2-CG2 4.01Å; Y995-V999 HydrophobicContact CG-CG2 4.44Å; Y995-V999 VanDerWaalsContact CZ-CG2 3.49Å; Y995-V999 WeakPolarHBondContact O-CG2 3.48Å; Y995-V999 PolarHBondContact O-N 3.23Å; L996-V999 PolarHBondContact O-N 3.06Å; V999-S1001 PolarHBondContact O-N 3.33Å; V999-S1002 WeakPolarHBondContact O-CB 3.16Å; V999-S1002 PolarHBondContact O-N 3.07Å; V999-W1003 PolarHBondContact O-N 3.34Å |
| 1000 | F | 81.6 | Confident | 75.8 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 178.2 | -170.2 | -100.5 | 0 | 0 | 0 | 112.1 | I959 L960 L996 T997 S1002 W1003 I1004 F1049 L1060 I1065 | I959-F1000 HydrophobicContact CG2-CE2 3.83Å; L960-F1000 HydrophobicContact CD2-CD2 4.46Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 PolarHBondContact O-N 3.34Å; T997-F1000 PolarHBondContact O-N 3.04Å; F1000-S1002 VanDerWaalsContact C-N 3.32Å; F1000-S1002 PolarHBondContact O-N 2.84Å; F1000-W1003 HydrophobicContact CE2-CE3 4.28Å; F1000-W1003 HydrophobicContact CE2-CZ3 4.31Å; F1000-W1003 HydrophobicContact CZ-CZ3 4.34Å; F1000-W1003 WeakPolarHBondContact O-CB 3.39Å; F1000-W1003 PolarHBondContact O-N 3.01Å; F1000-I1004 HydrophobicContact CD1-CD1 3.96Å; F1000-I1004 HydrophobicContact CE1-CD1 3.73Å; F1000-I1004 HydrophobicContact CE1-CG1 4.31Å; F1000-I1004 PolarHBondContact O-N 2.84Å; F1000-I1004 VanDerWaalsContact O-N 3.12Å; F1000-F1049 HydrophobicContact CE1-CE2 4.17Å; F1000-F1049 HydrophobicContact CE2-CD2 4.38Å; F1000-F1049 HydrophobicContact CE2-CE2 4.23Å; F1000-F1049 HydrophobicContact CZ-CD2 4.04Å; F1000-F1049 AromaticContact CZ-CE2 3.57Å; F1000-F1049 HydrophobicContact CZ-CE2 3.57Å; F1000-L1060 HydrophobicContact CB-CD2 4.31Å; F1000-L1060 HydrophobicContact CD1-CD2 3.98Å; F1000-L1060 HydrophobicContact CD2-CD2 4.11Å; F1000-L1060 HydrophobicContact CE1-CD2 4.33Å; F1000-L1060 HydrophobicContact CE2-CD2 4.47Å; F1000-L1060 HydrophobicContact CG-CD2 3.86Å; F1000-I1065 HydrophobicContact CD1-CD1 3.46Å; F1000-I1065 VanDerWaalsContact CD1-CD1 3.46Å; F1000-I1065 HydrophobicContact CD1-CG1 3.96Å; F1000-I1065 HydrophobicContact CD1-CG2 4.25Å; F1000-I1065 HydrophobicContact CE1-CD1 3.58Å; F1000-I1065 HydrophobicContact CE1-CG1 4.44Å; F1000-I1065 HydrophobicContact CE1-CG2 4.39Å |
| 1001 | S | 83.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.3 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | T997 G998 V999 W1003 I1004 V1005 I1065 T1068 | T997-S1001 VanDerWaalsContact O-CB 3.31Å; T997-S1001 WeakPolarHBondContact O-CB 3.44Å; T997-S1001 PolarHBondContact O-N 3.01Å; T997-S1001 PolarHBondContact O-OG 2.68Å; G998-S1001 PolarHBondContact O-N 3.06Å; V999-S1001 PolarHBondContact O-N 3.33Å; S1001-W1003 VanDerWaalsContact C-N 3.33Å; S1001-I1004 WeakPolarHBondContact O-CB 3.32Å; S1001-I1004 PolarHBondContact O-N 2.99Å; S1001-V1005 WeakPolarHBondContact O-CG2 3.28Å; S1001-V1005 PolarHBondContact O-N 3.48Å; S1001-V1005 VanDerWaalsContact O-N 3.07Å; S1001-I1065 PolarHBondContact OG-O 3.06Å; S1001-T1068 WeakPolarHBondContact CB-OG1 3.43Å; S1001-T1068 PolarHBondContact OG-OG1 2.73Å |
| 1002 | S | 80.7 | Confident | 77.1 | Confident | 27 Ų | 27 | 32 Ų | 32 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 174 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | G998 V999 F1000 V1005 K1006 | G998-S1002 WeakPolarHBondContact O-CB 3.41Å; G998-S1002 PolarHBondContact O-N 3.05Å; G998-S1002 PolarHBondContact O-OG 2.89Å; V999-S1002 WeakPolarHBondContact O-CB 3.16Å; V999-S1002 PolarHBondContact O-N 3.07Å; F1000-S1002 VanDerWaalsContact C-N 3.32Å; F1000-S1002 PolarHBondContact O-N 2.84Å; S1002-V1005 PolarHBondContact O-N 3.05Å; S1002-K1006 WeakPolarHBondContact O-CB 3.39Å; S1002-K1006 PolarHBondContact O-N 2.79Å |
| 1003 | W | 78.8 | Confident | 77.4 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 173.4 | 175.3 | 92.1 | 0 | 0 | 0 | 112.8 | I959 L960 M964 F981 V999 F1000 S1001 N1007 I1009 | I959-W1003 HydrophobicContact CG2-CH2 4.31Å; L960-W1003 HydrophobicContact CD2-CB 3.37Å; L960-W1003 HydrophobicContact CD2-CD2 4.2Å; L960-W1003 HydrophobicContact CD2-CG 3.52Å; L960-W1003 PolarHBondContact O-NE1 3.25Å; M964-W1003 HydrophobicContact CG-CH2 3.51Å; M964-W1003 HydrophobicContact CG-CZ2 3.53Å; M964-W1003 HydrophobicContact SD-CH2 3.87Å; M964-W1003 HydrophobicContact SD-CZ2 4.31Å; F981-W1003 HydrophobicContact CE2-CB 4.33Å; F981-W1003 AromaticContact CE2-CD1 3.71Å; F981-W1003 HydrophobicContact CE2-CG 4.44Å; F981-W1003 HydrophobicContact CZ-CB 3.98Å; V999-W1003 PolarHBondContact O-N 3.34Å; F1000-W1003 HydrophobicContact CE2-CE3 4.28Å; F1000-W1003 HydrophobicContact CE2-CZ3 4.31Å; F1000-W1003 HydrophobicContact CZ-CZ3 4.34Å; F1000-W1003 WeakPolarHBondContact O-CB 3.39Å; F1000-W1003 PolarHBondContact O-N 3.01Å; S1001-W1003 VanDerWaalsContact C-N 3.33Å; W1003-N1007 VanDerWaalsContact CD1-ND2 3.31Å; W1003-N1007 VanDerWaalsContact CE2-ND2 3.35Å; W1003-N1007 PolarHBondContact NE1-ND2 2.8Å; W1003-N1007 VanDerWaalsContact NE1-ND2 3.16Å; W1003-N1007 WeakPolarHBondContact O-CB 3.43Å; W1003-N1007 PolarHBondContact O-N 3.38Å; W1003-N1007 PolarHBondContact O-ND2 2.89Å; W1003-I1009 HydrophobicContact CE3-CD1 4.2Å; W1003-I1009 HydrophobicContact CH2-CD1 4.12Å; W1003-I1009 HydrophobicContact CZ3-CD1 3.75Å |
| 1004 | I | 79.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 173.7 | -65.1 | 174.4 | 0 | 0 | 0 | 110.9 | F1000 S1001 N1007 S1008 I1009 V1014 I1065 V1069 F1093 | F1000-I1004 HydrophobicContact CD1-CD1 3.96Å; F1000-I1004 HydrophobicContact CE1-CD1 3.73Å; F1000-I1004 HydrophobicContact CE1-CG1 4.31Å; F1000-I1004 PolarHBondContact O-N 2.84Å; F1000-I1004 VanDerWaalsContact O-N 3.12Å; S1001-I1004 WeakPolarHBondContact O-CB 3.32Å; S1001-I1004 PolarHBondContact O-N 2.99Å; I1004-N1007 PolarHBondContact O-N 2.87Å; I1004-S1008 PolarHBondContact O-N 3.08Å; I1004-I1009 HydrophobicContact CB-CD1 4.5Å; I1004-I1009 HydrophobicContact CG1-CD1 4.38Å; I1004-I1009 HydrophobicContact CG2-CB 3.95Å; I1004-I1009 PolarHBondContact O-N 3.39Å; I1004-V1014 HydrophobicContact CD1-CG2 4.49Å; I1004-V1014 HydrophobicContact CG2-CG2 4.22Å; I1004-I1065 HydrophobicContact CD1-CG2 3.44Å; I1004-I1065 VanDerWaalsContact CD1-CG2 3.44Å; I1004-V1069 HydrophobicContact CB-CG2 4.1Å; I1004-V1069 HydrophobicContact CD1-CG2 4Å; I1004-V1069 HydrophobicContact CG2-CG1 4.34Å; I1004-V1069 HydrophobicContact CG2-CG2 4.04Å; I1004-F1093 HydrophobicContact CG2-CZ 4.36Å |
| 1005 | V | 79.2 | Confident | 78.4 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 9% | 0.085 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 179.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | S1001 S1002 N1007 S1008 V1069 I1072 | S1001-V1005 WeakPolarHBondContact O-CG2 3.28Å; S1001-V1005 PolarHBondContact O-N 3.48Å; S1001-V1005 VanDerWaalsContact O-N 3.07Å; S1002-V1005 PolarHBondContact O-N 3.05Å; V1005-N1007 PolarHBondContact O-N 3.4Å; V1005-S1008 PolarHBondContact O-N 3.22Å; V1005-S1008 VanDerWaalsContact O-N 3.1Å; V1005-V1069 HydrophobicContact CG2-CG1 3.95Å; V1005-I1072 HydrophobicContact CB-CG2 4.26Å; V1005-I1072 HydrophobicContact CG1-CG2 4.11Å; V1005-I1072 HydrophobicContact CG2-CB 4.15Å; V1005-I1072 HydrophobicContact CG2-CG2 3.86Å |
| 1006 | K | 74.4 | Confident | 78.4 | Confident | 121 Ų | 121 | 33.4 Ų | 33.4 | 53% | 0.526 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -40.2 | -179.2 | -171.2 | 176.7 | 178.7 | -178.7 | 0 | 112.2 | F981 S1002 S1008 | F981-K1006 HydrophobicContact CZ-CD 4.47Å; S1002-K1006 WeakPolarHBondContact O-CB 3.39Å; S1002-K1006 PolarHBondContact O-N 2.79Å; K1006-S1008 PolarHBondContact O-N 3.48Å |
| 1007 | N | 72.7 | Confident | 78.2 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.6 | 176.6 | -75.2 | -70.2 | 0 | 0 | 0 | 113.9 | W1003 I1004 V1005 I1009 | W1003-N1007 VanDerWaalsContact CD1-ND2 3.31Å; W1003-N1007 VanDerWaalsContact CE2-ND2 3.35Å; W1003-N1007 PolarHBondContact NE1-ND2 2.8Å; W1003-N1007 VanDerWaalsContact NE1-ND2 3.16Å; W1003-N1007 WeakPolarHBondContact O-CB 3.43Å; W1003-N1007 PolarHBondContact O-N 3.38Å; W1003-N1007 PolarHBondContact O-ND2 2.89Å; I1004-N1007 PolarHBondContact O-N 2.87Å; V1005-N1007 PolarHBondContact O-N 3.4Å; N1007-I1009 HydrophobicContact CB-CD1 4.01Å; N1007-I1009 HydrophobicContact CB-CG1 3.7Å; N1007-I1009 PolarHBondContact O-N 3.29Å |
| 1008 | S | 72.3 | Confident | 78.1 | Confident | 98 Ų | 98 | 36.1 Ų | 36.1 | 69% | 0.685 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 40.2 | -179.1 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | I1004 V1005 K1006 | I1004-S1008 PolarHBondContact O-N 3.08Å; V1005-S1008 PolarHBondContact O-N 3.22Å; V1005-S1008 VanDerWaalsContact O-N 3.1Å; K1006-S1008 PolarHBondContact O-N 3.48Å |
| 1009 | I | 74 | Confident | 77.9 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | trans | -73.5 | 132 | -177.5 | -56 | 179.4 | 0 | 0 | 0 | 109 | M964 W1003 I1004 N1007 Q1013 V1014 F1093 | M964-I1009 HydrophobicContact CE-CD1 4.29Å; M964-I1009 HydrophobicContact CG-CD1 4.07Å; W1003-I1009 HydrophobicContact CE3-CD1 4.2Å; W1003-I1009 HydrophobicContact CH2-CD1 4.12Å; W1003-I1009 HydrophobicContact CZ3-CD1 3.75Å; I1004-I1009 HydrophobicContact CB-CD1 4.5Å; I1004-I1009 HydrophobicContact CG1-CD1 4.38Å; I1004-I1009 HydrophobicContact CG2-CB 3.95Å; I1004-I1009 PolarHBondContact O-N 3.39Å; N1007-I1009 HydrophobicContact CB-CD1 4.01Å; N1007-I1009 HydrophobicContact CB-CG1 3.7Å; N1007-I1009 PolarHBondContact O-N 3.29Å; I1009-Q1013 HydrophobicContact CG2-CB 3.74Å; I1009-V1014 HydrophobicContact CG2-CG2 3.69Å; I1009-F1093 WeakPolarHBondContact O-CZ 3.49Å | ||
| 1010 | T | 78.4 | Confident | 77.5 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | trans | -79.2 | 154.1 | 179.4 | 82.6 | 0 | 0 | 0 | 0 | 111.3 | E1012 Q1013 V1014 | T1010-E1012 WeakPolarHBondContact CB-OE2 3.37Å; T1010-E1012 PolarHBondContact O-N 2.82Å; T1010-E1012 PolarHBondContact OG1-OE2 3.5Å; T1010-Q1013 WeakPolarHBondContact O-CB 3.31Å; T1010-Q1013 PolarHBondContact O-N 3.04Å; T1010-Q1013 WeakPolarHBondContact OG1-CG 3.43Å; T1010-Q1013 PolarHBondContact OG1-N 2.86Å; T1010-V1014 PolarHBondContact O-N 3.29Å | ||
| 1011 | P | 78.7 | Confident | 76.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -28.7 | 179.4 | 22.5 | -31.8 | 0 | 0 | 0 | 113.3 | Q1013 L1015 E1092 F1093 R1096 | P1011-Q1013 VanDerWaalsContact C-N 3.34Å; P1011-L1015 WeakPolarHBondContact O-CB 3.47Å; P1011-L1015 VanDerWaalsContact O-CG 3.28Å; P1011-L1015 WeakPolarHBondContact O-CG 3.3Å; P1011-L1015 PolarHBondContact O-N 3.27Å; P1011-E1092 HydrophobicContact CG-CB 4.43Å; P1011-E1092 HydrophobicContact CG-CG 3.75Å; P1011-F1093 HydrophobicContact CB-CD1 3.75Å; P1011-F1093 HydrophobicContact CB-CE1 3.76Å; P1011-F1093 HydrophobicContact CB-CG 4.26Å; P1011-F1093 HydrophobicContact CB-CZ 4.26Å; P1011-R1096 HydrophobicContact CB-CB 4.5Å; P1011-R1096 HydrophobicContact CB-CG 4.03Å; P1011-R1096 HydrophobicContact CG-CG 4.48Å |
| 1012 | E | 78.5 | Confident | 75.8 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 171.7 | -62.8 | 71.6 | -153.6 | 0 | 0 | 112 | T1010 L1015 S1016 R1096 | T1010-E1012 WeakPolarHBondContact CB-OE2 3.37Å; T1010-E1012 PolarHBondContact O-N 2.82Å; T1010-E1012 PolarHBondContact OG1-OE2 3.5Å; E1012-L1015 PolarHBondContact O-N 3.39Å; E1012-S1016 WeakPolarHBondContact O-CB 3.18Å; E1012-S1016 PolarHBondContact O-N 3.38Å; E1012-S1016 PolarHBondContact O-OG 2.97Å; E1012-R1096 IonicContact OE1-CZ 2.6Å; E1012-R1096 IonicContact OE1-NH1 3.88Å; E1012-R1096 PolarHBondContact OE1-NH1 3.39Å; E1012-R1096 IonicContact OE1-NH2 2.77Å; E1012-R1096 PolarHBondContact OE1-NH2 3.18Å |
| 1013 | Q | 77.9 | Confident | 74.9 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.9 | -69.6 | 174.2 | -5.4 | 0 | 0 | 109.8 | I1009 T1010 P1011 S1016 F1017 | I1009-Q1013 HydrophobicContact CG2-CB 3.74Å; T1010-Q1013 WeakPolarHBondContact O-CB 3.31Å; T1010-Q1013 PolarHBondContact O-N 3.04Å; T1010-Q1013 WeakPolarHBondContact OG1-CG 3.43Å; T1010-Q1013 PolarHBondContact OG1-N 2.86Å; P1011-Q1013 VanDerWaalsContact C-N 3.34Å; Q1013-S1016 PolarHBondContact O-N 3.38Å; Q1013-S1016 PolarHBondContact O-OG 2.8Å; Q1013-F1017 VanDerWaalsContact O-CB 3.31Å; Q1013-F1017 WeakPolarHBondContact O-CB 3.35Å; Q1013-F1017 PolarHBondContact O-N 2.85Å |
| 1014 | V | 80.9 | Confident | 73 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -53.1 | 173.7 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | I1004 I1009 T1010 S1016 F1017 Y1018 L1062 F1093 | I1004-V1014 HydrophobicContact CD1-CG2 4.49Å; I1004-V1014 HydrophobicContact CG2-CG2 4.22Å; I1009-V1014 HydrophobicContact CG2-CG2 3.69Å; T1010-V1014 PolarHBondContact O-N 3.29Å; V1014-S1016 VanDerWaalsContact C-N 3.34Å; V1014-S1016 PolarHBondContact O-N 2.83Å; V1014-F1017 WeakPolarHBondContact O-CB 3.28Å; V1014-F1017 PolarHBondContact O-N 3.14Å; V1014-F1017 VanDerWaalsContact O-N 3.12Å; V1014-Y1018 HydrophobicContact CG1-CD2 3.91Å; V1014-Y1018 HydrophobicContact CG1-CE2 3.83Å; V1014-Y1018 WeakPolarHBondContact O-CD2 3.21Å; V1014-Y1018 PolarHBondContact O-N 3.05Å; V1014-L1062 HydrophobicContact CG1-CD1 4.13Å; V1014-F1093 HydrophobicContact CG2-CE1 4.42Å |
| 1015 | L | 80.7 | Confident | 71.1 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 179.6 | -73 | 174.3 | 0 | 0 | 0 | 112.9 | P1011 E1012 F1017 Y1018 Q1019 L1062 R1096 | P1011-L1015 WeakPolarHBondContact O-CB 3.47Å; P1011-L1015 VanDerWaalsContact O-CG 3.28Å; P1011-L1015 WeakPolarHBondContact O-CG 3.3Å; P1011-L1015 PolarHBondContact O-N 3.27Å; E1012-L1015 PolarHBondContact O-N 3.39Å; L1015-F1017 PolarHBondContact O-N 3.01Å; L1015-Y1018 PolarHBondContact O-N 3.48Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.26Å; L1015-Q1019 VanDerWaalsContact O-CG 3.23Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.34Å; L1015-Q1019 PolarHBondContact O-N 3.31Å; L1015-L1062 HydrophobicContact CD2-CD1 4.13Å; L1015-L1062 HydrophobicContact CD2-CD2 3.71Å; L1015-L1062 HydrophobicContact CD2-CG 4.44Å; L1015-R1096 HydrophobicContact CD1-CB 4.07Å; L1015-R1096 HydrophobicContact CD1-CG 4.21Å |
| 1016 | S | 76.9 | Confident | 69.2 | Low | 44 Ų | 44 | 74.6 Ų | 74.6 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 178.5 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | E1012 Q1013 V1014 R1020 | E1012-S1016 WeakPolarHBondContact O-CB 3.18Å; E1012-S1016 PolarHBondContact O-N 3.38Å; E1012-S1016 PolarHBondContact O-OG 2.97Å; Q1013-S1016 PolarHBondContact O-N 3.38Å; Q1013-S1016 PolarHBondContact O-OG 2.8Å; V1014-S1016 VanDerWaalsContact C-N 3.34Å; V1014-S1016 PolarHBondContact O-N 2.83Å; S1016-R1020 WeakPolarHBondContact O-CB 3.26Å; S1016-R1020 VanDerWaalsContact O-CG 3.28Å; S1016-R1020 WeakPolarHBondContact O-CG 3.43Å; S1016-R1020 PolarHBondContact O-N 3.18Å |
| 1017 | F | 73.3 | Confident | 67.3 | Low | 47 Ų | 47 | 73.7 Ų | 73.7 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.9 | -49.6 | 176.3 | -176.2 | -107.3 | 0 | 0 | 0 | 110.8 | Q1013 V1014 L1015 Q1019 R1020 I1021 Q1046 F1049 | Q1013-F1017 VanDerWaalsContact O-CB 3.31Å; Q1013-F1017 WeakPolarHBondContact O-CB 3.35Å; Q1013-F1017 PolarHBondContact O-N 2.85Å; V1014-F1017 WeakPolarHBondContact O-CB 3.28Å; V1014-F1017 PolarHBondContact O-N 3.14Å; V1014-F1017 VanDerWaalsContact O-N 3.12Å; L1015-F1017 PolarHBondContact O-N 3.01Å; F1017-Q1019 PolarHBondContact O-N 3.13Å; F1017-R1020 PolarHBondContact O-N 3.31Å; F1017-I1021 HydrophobicContact CD1-CD1 3.9Å; F1017-I1021 HydrophobicContact CE1-CD1 3.89Å; F1017-I1021 HydrophobicContact CG-CD1 4.39Å; F1017-I1021 HydrophobicContact CZ-CD1 4.32Å; F1017-I1021 VanDerWaalsContact O-CD1 3.26Å; F1017-I1021 WeakPolarHBondContact O-CD1 3.37Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.47Å; F1017-I1021 PolarHBondContact O-N 3.43Å; F1017-Q1046 HydrophobicContact CE2-CG 4.21Å; F1017-F1049 HydrophobicContact CD1-CD1 4.3Å; F1017-F1049 HydrophobicContact CD1-CE1 4.36Å; F1017-F1049 HydrophobicContact CD1-CG 4.35Å; F1017-F1049 HydrophobicContact CD1-CZ 4.49Å; F1017-F1049 HydrophobicContact CE1-CB 3.63Å; F1017-F1049 AromaticContact CE1-CD1 3.44Å; F1017-F1049 HydrophobicContact CE1-CD1 3.44Å; F1017-F1049 VanDerWaalsContact CE1-CD1 3.44Å; F1017-F1049 AromaticContact CE1-CD2 3.39Å; F1017-F1049 HydrophobicContact CE1-CD2 3.39Å; F1017-F1049 AromaticContact CE1-CE1 3.84Å; F1017-F1049 HydrophobicContact CE1-CE1 3.84Å; F1017-F1049 AromaticContact CE1-CE2 3.8Å; F1017-F1049 HydrophobicContact CE1-CE2 3.8Å; F1017-F1049 AromaticContact CE1-CG 3.17Å; F1017-F1049 HydrophobicContact CE1-CG 3.17Å; F1017-F1049 AromaticContact CE1-CZ 4Å; F1017-F1049 HydrophobicContact CE1-CZ 4Å; F1017-F1049 HydrophobicContact CE2-CB 4.45Å; F1017-F1049 HydrophobicContact CZ-CB 3.29Å; F1017-F1049 AromaticContact CZ-CD1 3.95Å; F1017-F1049 HydrophobicContact CZ-CD1 3.95Å; F1017-F1049 AromaticContact CZ-CD2 3.94Å; F1017-F1049 HydrophobicContact CZ-CD2 3.94Å; F1017-F1049 AromaticContact CZ-CG 3.45Å; F1017-F1049 HydrophobicContact CZ-CG 3.45Å; F1017-F1049 VanDerWaalsContact CZ-CG 3.45Å |
| 1018 | Y | 78.4 | Confident | 65.7 | Low | 12 Ų | 12 | 77.7 Ų | 77.7 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.1 | -84.7 | -97.9 | 0 | 0 | 0 | 113.2 | V1014 L1015 R1020 I1021 C1022 F1049 Y1053 L1060 L1062 I1065 | V1014-Y1018 HydrophobicContact CG1-CD2 3.91Å; V1014-Y1018 HydrophobicContact CG1-CE2 3.83Å; V1014-Y1018 WeakPolarHBondContact O-CD2 3.21Å; V1014-Y1018 PolarHBondContact O-N 3.05Å; L1015-Y1018 PolarHBondContact O-N 3.48Å; Y1018-R1020 VanDerWaalsContact C-N 3.34Å; Y1018-R1020 PolarHBondContact O-N 3.03Å; Y1018-I1021 PolarHBondContact O-N 3.46Å; Y1018-I1021 VanDerWaalsContact O-N 3.17Å; Y1018-C1022 PolarHBondContact O-N 3.39Å; Y1018-C1022 PolarHBondContact O-SG 2.94Å; Y1018-C1022 VanDerWaalsContact O-SG 3.39Å; Y1018-F1049 HydrophobicContact CE1-CE1 4.34Å; Y1018-F1049 HydrophobicContact CE1-CZ 4.02Å; Y1018-F1049 AromaticContact CE2-CZ 3.96Å; Y1018-F1049 HydrophobicContact CE2-CZ 3.96Å; Y1018-F1049 AromaticContact CZ-CZ 3.58Å; Y1018-F1049 WeakPolarHBondContact OH-CZ 3.41Å; Y1018-Y1053 HydrophobicContact CE1-CD2 4.42Å; Y1018-Y1053 HydrophobicContact CE1-CE2 4.03Å; Y1018-L1060 WeakPolarHBondContact CE1-O 3.38Å; Y1018-L1060 PolarHBondContact OH-O 3.39Å; Y1018-L1062 HydrophobicContact CD1-CB 3.9Å; Y1018-L1062 HydrophobicContact CD1-CD1 4.2Å; Y1018-L1062 HydrophobicContact CD1-CG 4.48Å; Y1018-L1062 HydrophobicContact CD2-CD1 3.7Å; Y1018-L1062 HydrophobicContact CE1-CB 3.84Å; Y1018-L1062 HydrophobicContact CE1-CD1 4.35Å; Y1018-L1062 HydrophobicContact CE2-CD1 3.87Å; Y1018-L1062 HydrophobicContact CG-CB 4.41Å; Y1018-L1062 HydrophobicContact CG-CD1 3.86Å; Y1018-I1065 WeakPolarHBondContact OH-CD1 3.28Å |
| 1019 | Q | 77.1 | Confident | 63.9 | Low | 131 Ų | 131 | 81.4 Ų | 81.4 | 61% | 0.612 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 177.8 | -77.4 | 175.5 | -3.4 | 0 | 0 | 112.1 | L1015 F1017 I1021 C1022 A1023 | L1015-Q1019 WeakPolarHBondContact O-CB 3.26Å; L1015-Q1019 VanDerWaalsContact O-CG 3.23Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.34Å; L1015-Q1019 PolarHBondContact O-N 3.31Å; F1017-Q1019 PolarHBondContact O-N 3.13Å; Q1019-I1021 VanDerWaalsContact C-N 3.26Å; Q1019-I1021 PolarHBondContact O-N 3Å; Q1019-C1022 PolarHBondContact O-N 3.35Å; Q1019-A1023 WeakPolarHBondContact O-CB 3.4Å; Q1019-A1023 PolarHBondContact O-N 2.87Å |
| 1020 | R | 69.9 | Low | 62 | Low | 150 Ų | 150 | 87.5 Ų | 87.5 | 57% | 0.566 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.8 | -34.4 | 175.1 | -78.8 | 177.1 | -172 | 170 | 4.5 | 112.3 | S1016 F1017 Y1018 | S1016-R1020 WeakPolarHBondContact O-CB 3.26Å; S1016-R1020 VanDerWaalsContact O-CG 3.28Å; S1016-R1020 WeakPolarHBondContact O-CG 3.43Å; S1016-R1020 PolarHBondContact O-N 3.18Å; F1017-R1020 PolarHBondContact O-N 3.31Å; Y1018-R1020 VanDerWaalsContact C-N 3.34Å; Y1018-R1020 PolarHBondContact O-N 3.03Å |
| 1021 | I | 66.8 | Low | 59.9 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.2 | -41.2 | 177.6 | -63.8 | 153.5 | 0 | 0 | 0 | 111 | F1017 Y1018 Q1019 A1023 F1049 | F1017-I1021 HydrophobicContact CD1-CD1 3.9Å; F1017-I1021 HydrophobicContact CE1-CD1 3.89Å; F1017-I1021 HydrophobicContact CG-CD1 4.39Å; F1017-I1021 HydrophobicContact CZ-CD1 4.32Å; F1017-I1021 VanDerWaalsContact O-CD1 3.26Å; F1017-I1021 WeakPolarHBondContact O-CD1 3.37Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.47Å; F1017-I1021 PolarHBondContact O-N 3.43Å; Y1018-I1021 PolarHBondContact O-N 3.46Å; Y1018-I1021 VanDerWaalsContact O-N 3.17Å; Q1019-I1021 VanDerWaalsContact C-N 3.26Å; Q1019-I1021 PolarHBondContact O-N 3Å; I1021-A1023 VanDerWaalsContact C-N 3.33Å; I1021-F1049 HydrophobicContact CD1-CD1 3.11Å; I1021-F1049 HydrophobicContact CD1-CE1 3.31Å; I1021-F1049 HydrophobicContact CD1-CG 4.2Å; I1021-F1049 HydrophobicContact CD1-CZ 4.5Å; I1021-F1049 HydrophobicContact CG1-CD1 4.28Å |
| 1022 | C | 62.5 | Low | 57.8 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.9 | -23.8 | 178.1 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | Y1018 Q1019 K1024 | Y1018-C1022 PolarHBondContact O-N 3.39Å; Y1018-C1022 PolarHBondContact O-SG 2.94Å; Y1018-C1022 VanDerWaalsContact O-SG 3.39Å; Q1019-C1022 PolarHBondContact O-N 3.35Å; C1022-K1024 VanDerWaalsContact C-N 3.26Å; C1022-K1024 PolarHBondContact O-N 2.83Å |
| 1023 | A | 61 | Low | 55.9 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -68.8 | 86.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q1019 I1021 | Q1019-A1023 WeakPolarHBondContact O-CB 3.4Å; Q1019-A1023 PolarHBondContact O-N 2.87Å; I1021-A1023 VanDerWaalsContact C-N 3.33Å |
| 1024 | K | 40.2 | Very low | 54 | Low | 194 Ų | 194 | 98.8 Ų | 98.8 | 84% | 0.843 | 53% | 0.533 | S | S | * | . | trans | -40.4 | 143.4 | 175.3 | -76 | 178.9 | 172 | -179.7 | 0 | 112.4 | C1022 | C1022-K1024 VanDerWaalsContact C-N 3.26Å; C1022-K1024 PolarHBondContact O-N 2.83Å | ||
| 1025 | T | 40 | Very low | 52 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 80% | 0.798 | 56% | 0.556 | S | S | * | * | trans | 85.8 | 72.7 | 175.6 | 74.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1026 | L | 37.8 | Very low | 50 | Low | 97 Ų | 97 | 104.7 Ų | 104.7 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | trans | -71.5 | 120.8 | 134 | -80.8 | 141.7 | 0 | 0 | 0 | 106.1 | V1028 | L1026-V1028 PolarHBondContact O-N 3.08Å; L1026-V1028 VanDerWaalsContact O-N 3.16Å | ||
| 1027 | P | 34.4 | Very low | 48.2 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | trans | -67.2 | 113.6 | 173.3 | 27.1 | -28.7 | 0 | 0 | 0 | 107.6 | E1029 | P1027-E1029 PolarHBondContact O-N 3.44Š| ||
| 1028 | V | 39.8 | Very low | 46.7 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | trans | -85.2 | 28.1 | 173.3 | -170.7 | 0 | 0 | 0 | 0 | 110 | L1026 | L1026-V1028 PolarHBondContact O-N 3.08Å; L1026-V1028 VanDerWaalsContact O-N 3.16Å | ||
| 1029 | E | 34.5 | Very low | 44.8 | Very low | 176 Ų | 176 | 113.9 Ų | 113.9 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | trans | -112.3 | 16.7 | -178.5 | -74.6 | -163.6 | 177.1 | 0 | 0 | 114.6 | P1027 | P1027-E1029 PolarHBondContact O-N 3.44Š| ||
| 1030 | D | 33.5 | Very low | 43.5 | Very low | 141 Ų | 141 | 113.7 Ų | 113.7 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | trans | -98.6 | 92.8 | 161.6 | -73.9 | -34.9 | 0 | 0 | 0 | 108.5 | N1032 | D1030-N1032 PolarHBondContact O-N 3.06Š| ||
| 1031 | E | 35.7 | Very low | 42.8 | Very low | 193 Ų | 193 | 109.1 Ų | 109.1 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -59.9 | 23.9 | 176.2 | -75.9 | -165.1 | 153.8 | 0 | 0 | 114.8 | ||||
| 1032 | N | 33.2 | Very low | 42.3 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 57% | 0.572 | 62% | 0.619 | S | S | * | * | trans | -116.4 | 76.8 | 178.6 | -70.6 | -28.9 | 0 | 0 | 0 | 110.8 | D1030 N1034 D1035 | D1030-N1032 PolarHBondContact O-N 3.06Å; N1032-N1034 PolarHBondContact O-N 3.08Å; N1032-D1035 PolarHBondContact O-N 3.12Å; N1032-D1035 VanDerWaalsContact O-N 3.11Å | ||
| 1033 | A | 40.4 | Very low | 42.2 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 65% | 0.653 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -51.8 | -12.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1035 L1036 | A1033-D1035 VanDerWaalsContact C-N 3.32Å; A1033-D1035 PolarHBondContact O-N 2.99Å; A1033-L1036 WeakPolarHBondContact O-CB 3.17Å; A1033-L1036 PolarHBondContact O-N 3.44Å |
| 1034 | N | 37.5 | Very low | 42.2 | Very low | 82 Ų | 82 | 106.1 Ų | 106.1 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -68.7 | -21.6 | 175.5 | -77.6 | -42.5 | 0 | 0 | 0 | 115.1 | K604 N1032 L1036 | K604-N1034 WeakPolarHBondContact CD-OD1 3.22Å; K604-N1034 WeakPolarHBondContact CE-OD1 3.27Å; K604-N1034 PolarHBondContact NZ-OD1 3.18Å; N1032-N1034 PolarHBondContact O-N 3.08Å; N1034-L1036 VanDerWaalsContact C-N 3.3Å |
| 1035 | D | 38.4 | Very low | 43.4 | Very low | 103 Ų | 103 | 98.6 Ų | 98.6 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -81.1 | -12.8 | 179.3 | -72.5 | -12.4 | 0 | 0 | 0 | 112.6 | N1032 A1033 I1037 T1038 C1039 | N1032-D1035 PolarHBondContact O-N 3.12Å; N1032-D1035 VanDerWaalsContact O-N 3.11Å; A1033-D1035 VanDerWaalsContact C-N 3.32Å; A1033-D1035 PolarHBondContact O-N 2.99Å; D1035-I1037 PolarHBondContact O-N 3.32Å; D1035-T1038 PolarHBondContact O-N 2.83Å; D1035-T1038 PolarHBondContact O-OG1 3.29Å; D1035-C1039 PolarHBondContact O-N 2.93Å; D1035-C1039 PolarHBondContact O-SG 3.31Å |
| 1036 | L | 38.6 | Very low | 44.5 | Very low | 62 Ų | 62 | 94.3 Ų | 94.3 | 33% | 0.325 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -60.6 | -27.1 | 175.7 | -136.9 | 90.3 | 0 | 0 | 0 | 112.6 | A1033 N1034 T1038 C1039 | A1033-L1036 WeakPolarHBondContact O-CB 3.17Å; A1033-L1036 PolarHBondContact O-N 3.44Å; N1034-L1036 VanDerWaalsContact C-N 3.3Å; L1036-T1038 VanDerWaalsContact C-N 3.25Å; L1036-T1038 PolarHBondContact O-N 3.1Å; L1036-C1039 WeakPolarHBondContact O-CB 3.37Å; L1036-C1039 PolarHBondContact O-N 3.41Å |
| 1037 | I | 40.2 | Very low | 45.9 | Very low | 136 Ų | 136 | 91.6 Ų | 91.6 | 70% | 0.697 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -73.7 | -19.7 | 180 | -56.8 | 175.6 | 0 | 0 | 0 | 111.5 | D1035 | D1035-I1037 PolarHBondContact O-N 3.32Š|
| 1038 | T | 40.8 | Very low | 47.5 | Very low | 118 Ų | 118 | 87 Ų | 87 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -102.9 | -0.7 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | D1035 L1036 | D1035-T1038 PolarHBondContact O-N 2.83Å; D1035-T1038 PolarHBondContact O-OG1 3.29Å; L1036-T1038 VanDerWaalsContact C-N 3.25Å; L1036-T1038 PolarHBondContact O-N 3.1Å |
| 1039 | C | 37.6 | Very low | 49.1 | Very low | 41 Ų | 41 | 80.4 Ų | 80.4 | 28% | 0.277 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -73.5 | 137.9 | -176.1 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | D1035 L1036 H1043 | D1035-C1039 PolarHBondContact O-N 2.93Å; D1035-C1039 PolarHBondContact O-SG 3.31Å; L1036-C1039 WeakPolarHBondContact O-CB 3.37Å; L1036-C1039 PolarHBondContact O-N 3.41Å; C1039-H1043 HydrophobicContact CB-CB 4.04Å |
| 1040 | D | 50.6 | Low | 50.8 | Low | 127 Ų | 127 | 74.1 Ų | 74.1 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | trans | -46 | 137.7 | 169.8 | -98.7 | -34.3 | 0 | 0 | 0 | 109.8 | A1042 H1043 | D1040-A1042 PolarHBondContact O-N 3.09Å; D1040-H1043 WeakPolarHBondContact O-CA 3.27Å; D1040-H1043 VanDerWaalsContact O-CB 3.32Å; D1040-H1043 WeakPolarHBondContact O-CB 3.35Å; D1040-H1043 PolarHBondContact O-N 3.07Å | ||
| 1041 | P | 54.7 | Low | 52.4 | Low | 54 Ų | 54 | 70.5 Ų | 70.5 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.4 | -18.7 | 179 | 18.8 | -29.4 | 0 | 0 | 0 | 112.7 | L966 H1043 K1045 | L966-P1041 HydrophobicContact CD1-CB 3.69Å; L966-P1041 HydrophobicContact CD1-CG 3.25Å; P1041-H1043 VanDerWaalsContact C-N 3.35Å; P1041-K1045 VanDerWaalsContact O-CD 3.32Å; P1041-K1045 WeakPolarHBondContact O-CD 3.5Å; P1041-K1045 WeakPolarHBondContact O-CG 3.49Å; P1041-K1045 PolarHBondContact O-N 3Å |
| 1042 | A | 56.9 | Low | 54.3 | Low | 49 Ų | 49 | 61.3 Ų | 61.3 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1040 Q1046 | D1040-A1042 PolarHBondContact O-N 3.09Å; A1042-Q1046 WeakPolarHBondContact O-CG 3.49Å; A1042-Q1046 PolarHBondContact O-N 2.88Å |
| 1043 | H | 60.6 | Low | 56.4 | Low | 62 Ų | 62 | 59.7 Ų | 59.7 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -75 | -45.1 | 177.6 | -164.3 | 79.9 | 0 | 0 | 0 | 111 | C1039 D1040 P1041 K1045 Q1046 V1047 | C1039-H1043 HydrophobicContact CB-CB 4.04Å; D1040-H1043 WeakPolarHBondContact O-CA 3.27Å; D1040-H1043 VanDerWaalsContact O-CB 3.32Å; D1040-H1043 WeakPolarHBondContact O-CB 3.35Å; D1040-H1043 PolarHBondContact O-N 3.07Å; P1041-H1043 VanDerWaalsContact C-N 3.35Å; H1043-K1045 VanDerWaalsContact C-N 3.28Å; H1043-K1045 PolarHBondContact O-N 3.48Å; H1043-Q1046 WeakPolarHBondContact O-CB 3.48Å; H1043-Q1046 PolarHBondContact O-N 3.03Å; H1043-V1047 WeakPolarHBondContact O-CG2 3.47Å; H1043-V1047 PolarHBondContact O-N 3.5Å |
| 1044 | I | 61.1 | Low | 57.8 | Low | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.179 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 174.1 | -64.1 | 174.5 | 0 | 0 | 0 | 110.2 | I638 Q1046 V1047 I1048 | I638-I1044 HydrophobicContact CD1-CG2 4.42Å; I1044-Q1046 VanDerWaalsContact C-N 3.32Å; I1044-Q1046 PolarHBondContact O-N 3.27Å; I1044-V1047 PolarHBondContact O-N 2.92Å; I1044-I1048 HydrophobicContact CG2-CD1 3.57Å; I1044-I1048 HydrophobicContact CG2-CG1 4.28Å; I1044-I1048 VanDerWaalsContact O-CG1 3.26Å; I1044-I1048 WeakPolarHBondContact O-CG1 3.49Å; I1044-I1048 PolarHBondContact O-N 3.42Å |
| 1045 | K | 65.3 | Low | 59.5 | Low | 36 Ų | 36 | 63.7 Ų | 63.7 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -41.2 | 175.3 | -73.5 | 165.9 | -175.9 | 173.8 | 0 | 113.5 | P963 M964 P1041 H1043 F1049 | P963-K1045 VanDerWaalsContact O-CE 3.32Å; P963-K1045 WeakPolarHBondContact O-CE 3.29Å; P963-K1045 PolarHBondContact O-NZ 3.39Å; M964-K1045 PolarHBondContact O-NZ 3.04Å; M964-K1045 HydrophobicContact SD-CD 3.89Å; P1041-K1045 VanDerWaalsContact O-CD 3.32Å; P1041-K1045 WeakPolarHBondContact O-CD 3.5Å; P1041-K1045 WeakPolarHBondContact O-CG 3.49Å; P1041-K1045 PolarHBondContact O-N 3Å; H1043-K1045 VanDerWaalsContact C-N 3.28Å; H1043-K1045 PolarHBondContact O-N 3.48Å; K1045-F1049 WeakPolarHBondContact O-CB 3.42Å; K1045-F1049 PolarHBondContact O-N 3.44Å; K1045-F1049 VanDerWaalsContact O-N 3.11Å |
| 1046 | Q | 64 | Low | 61.3 | Low | 40 Ų | 40 | 58.8 Ų | 58.8 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | -179.9 | -74.7 | 169.4 | 20.3 | 0 | 0 | 111.4 | F1017 A1042 H1043 I1044 S1050 | F1017-Q1046 HydrophobicContact CE2-CG 4.21Å; A1042-Q1046 WeakPolarHBondContact O-CG 3.49Å; A1042-Q1046 PolarHBondContact O-N 2.88Å; H1043-Q1046 WeakPolarHBondContact O-CB 3.48Å; H1043-Q1046 PolarHBondContact O-N 3.03Å; I1044-Q1046 VanDerWaalsContact C-N 3.32Å; I1044-Q1046 PolarHBondContact O-N 3.27Å; Q1046-S1050 VanDerWaalsContact O-CB 3.3Å; Q1046-S1050 WeakPolarHBondContact O-CB 3.47Å; Q1046-S1050 PolarHBondContact O-N 3.44Å; Q1046-S1050 PolarHBondContact O-OG 2.94Å |
| 1047 | V | 65.2 | Low | 62.9 | Low | 41 Ų | 41 | 57.9 Ų | 57.9 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -51.2 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | H1043 I1044 F1049 S1050 L1051 | H1043-V1047 WeakPolarHBondContact O-CG2 3.47Å; H1043-V1047 PolarHBondContact O-N 3.5Å; I1044-V1047 PolarHBondContact O-N 2.92Å; V1047-F1049 PolarHBondContact O-N 3.49Å; V1047-S1050 PolarHBondContact O-N 3.35Å; V1047-S1050 VanDerWaalsContact O-N 3.17Å; V1047-S1050 PolarHBondContact O-OG 2.88Å; V1047-L1051 HydrophobicContact CG1-CD1 4.19Å; V1047-L1051 WeakPolarHBondContact O-CG 3.45Å; V1047-L1051 PolarHBondContact O-N 3.36Å |
| 1048 | I | 68.5 | Low | 64.4 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | -177.5 | -59.1 | 165.4 | 0 | 0 | 0 | 111.4 | V634 I638 L958 I959 I1044 S1050 L1051 A1052 | V634-I1048 HydrophobicContact CG1-CD1 4.14Å; V634-I1048 HydrophobicContact CG1-CG1 4.13Å; I638-I1048 HydrophobicContact CD1-CD1 3.4Å; I638-I1048 VanDerWaalsContact CD1-CD1 3.4Å; L958-I1048 HydrophobicContact CB-CG2 4.14Å; I959-I1048 HydrophobicContact CD1-CG2 4.15Å; I959-I1048 HydrophobicContact CG1-CB 4.27Å; I959-I1048 HydrophobicContact CG1-CG2 3.39Å; I1044-I1048 HydrophobicContact CG2-CD1 3.57Å; I1044-I1048 HydrophobicContact CG2-CG1 4.28Å; I1044-I1048 VanDerWaalsContact O-CG1 3.26Å; I1044-I1048 WeakPolarHBondContact O-CG1 3.49Å; I1044-I1048 PolarHBondContact O-N 3.42Å; I1048-S1050 VanDerWaalsContact C-N 3.34Å; I1048-S1050 PolarHBondContact O-N 3.06Å; I1048-L1051 WeakPolarHBondContact O-CB 3.41Å; I1048-L1051 PolarHBondContact O-N 3.11Å; I1048-A1052 PolarHBondContact O-N 3.12Å |
| 1049 | F | 74.6 | Confident | 66 | Low | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 177.9 | -175.1 | -84.6 | 0 | 0 | 0 | 112.5 | I959 F1000 F1017 Y1018 I1021 K1045 V1047 L1051 A1052 Y1053 L1060 | I959-F1049 HydrophobicContact CD1-CB 4.26Å; I959-F1049 HydrophobicContact CD1-CD2 4.05Å; F1000-F1049 HydrophobicContact CE1-CE2 4.17Å; F1000-F1049 HydrophobicContact CE2-CD2 4.38Å; F1000-F1049 HydrophobicContact CE2-CE2 4.23Å; F1000-F1049 HydrophobicContact CZ-CD2 4.04Å; F1000-F1049 AromaticContact CZ-CE2 3.57Å; F1000-F1049 HydrophobicContact CZ-CE2 3.57Å; F1017-F1049 HydrophobicContact CD1-CD1 4.3Å; F1017-F1049 HydrophobicContact CD1-CE1 4.36Å; F1017-F1049 HydrophobicContact CD1-CG 4.35Å; F1017-F1049 HydrophobicContact CD1-CZ 4.49Å; F1017-F1049 HydrophobicContact CE1-CB 3.63Å; F1017-F1049 AromaticContact CE1-CD1 3.44Å; F1017-F1049 HydrophobicContact CE1-CD1 3.44Å; F1017-F1049 VanDerWaalsContact CE1-CD1 3.44Å; F1017-F1049 AromaticContact CE1-CD2 3.39Å; F1017-F1049 HydrophobicContact CE1-CD2 3.39Å; F1017-F1049 AromaticContact CE1-CE1 3.84Å; F1017-F1049 HydrophobicContact CE1-CE1 3.84Å; F1017-F1049 AromaticContact CE1-CE2 3.8Å; F1017-F1049 HydrophobicContact CE1-CE2 3.8Å; F1017-F1049 AromaticContact CE1-CG 3.17Å; F1017-F1049 HydrophobicContact CE1-CG 3.17Å; F1017-F1049 AromaticContact CE1-CZ 4Å; F1017-F1049 HydrophobicContact CE1-CZ 4Å; F1017-F1049 HydrophobicContact CE2-CB 4.45Å; F1017-F1049 HydrophobicContact CZ-CB 3.29Å; F1017-F1049 AromaticContact CZ-CD1 3.95Å; F1017-F1049 HydrophobicContact CZ-CD1 3.95Å; F1017-F1049 AromaticContact CZ-CD2 3.94Å; F1017-F1049 HydrophobicContact CZ-CD2 3.94Å; F1017-F1049 AromaticContact CZ-CG 3.45Å; F1017-F1049 HydrophobicContact CZ-CG 3.45Å; F1017-F1049 VanDerWaalsContact CZ-CG 3.45Å; Y1018-F1049 HydrophobicContact CE1-CE1 4.34Å; Y1018-F1049 HydrophobicContact CE1-CZ 4.02Å; Y1018-F1049 AromaticContact CE2-CZ 3.96Å; Y1018-F1049 HydrophobicContact CE2-CZ 3.96Å; Y1018-F1049 AromaticContact CZ-CZ 3.58Å; Y1018-F1049 WeakPolarHBondContact OH-CZ 3.41Å; I1021-F1049 HydrophobicContact CD1-CD1 3.11Å; I1021-F1049 HydrophobicContact CD1-CE1 3.31Å; I1021-F1049 HydrophobicContact CD1-CG 4.2Å; I1021-F1049 HydrophobicContact CD1-CZ 4.5Å; I1021-F1049 HydrophobicContact CG1-CD1 4.28Å; K1045-F1049 WeakPolarHBondContact O-CB 3.42Å; K1045-F1049 PolarHBondContact O-N 3.44Å; K1045-F1049 VanDerWaalsContact O-N 3.11Å; V1047-F1049 PolarHBondContact O-N 3.49Å; F1049-L1051 PolarHBondContact O-N 2.97Å; F1049-A1052 PolarHBondContact O-N 3.13Å; F1049-Y1053 HydrophobicContact CE1-CD2 4Å; F1049-Y1053 HydrophobicContact CE1-CG 4.19Å; F1049-Y1053 HydrophobicContact CZ-CD2 4.2Å; F1049-Y1053 WeakPolarHBondContact O-CB 3.25Å; F1049-Y1053 PolarHBondContact O-N 3.17Å; F1049-L1060 HydrophobicContact CE2-CD1 4.28Å |
| 1050 | S | 69 | Low | 68 | Low | 44 Ų | 44 | 47.9 Ų | 47.9 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -35.9 | 174.1 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | Q1046 V1047 I1048 K1054 | Q1046-S1050 VanDerWaalsContact O-CB 3.3Å; Q1046-S1050 WeakPolarHBondContact O-CB 3.47Å; Q1046-S1050 PolarHBondContact O-N 3.44Å; Q1046-S1050 PolarHBondContact O-OG 2.94Å; V1047-S1050 PolarHBondContact O-N 3.35Å; V1047-S1050 VanDerWaalsContact O-N 3.17Å; V1047-S1050 PolarHBondContact O-OG 2.88Å; I1048-S1050 VanDerWaalsContact C-N 3.34Å; I1048-S1050 PolarHBondContact O-N 3.06Å; S1050-K1054 WeakPolarHBondContact O-CB 3.33Å; S1050-K1054 PolarHBondContact O-N 3.46Å |
| 1051 | L | 68.4 | Low | 69.6 | Low | 65 Ų | 65 | 44.9 Ų | 44.9 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.8 | -48.8 | 174.1 | -68.3 | 170.5 | 0 | 0 | 0 | 111.7 | V1047 I1048 F1049 Y1053 K1054 R1055 | V1047-L1051 HydrophobicContact CG1-CD1 4.19Å; V1047-L1051 WeakPolarHBondContact O-CG 3.45Å; V1047-L1051 PolarHBondContact O-N 3.36Å; I1048-L1051 WeakPolarHBondContact O-CB 3.41Å; I1048-L1051 PolarHBondContact O-N 3.11Å; F1049-L1051 PolarHBondContact O-N 2.97Å; L1051-Y1053 PolarHBondContact O-N 2.72Å; L1051-K1054 PolarHBondContact O-N 2.87Å; L1051-R1055 PolarHBondContact O-N 3.46Å |
| 1052 | A | 74.5 | Confident | 71 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I959 I1048 F1049 R1055 L1056 L1060 | I959-A1052 HydrophobicContact CD1-CB 3.49Å; I959-A1052 VanDerWaalsContact CD1-CB 3.49Å; I1048-A1052 PolarHBondContact O-N 3.12Å; F1049-A1052 PolarHBondContact O-N 3.13Å; A1052-R1055 PolarHBondContact O-N 3.18Å; A1052-L1056 PolarHBondContact O-N 2.69Å; A1052-L1060 HydrophobicContact CB-CD1 3.87Å |
| 1053 | Y | 77.1 | Confident | 72.4 | Confident | 72 Ų | 72 | 42 Ų | 42 | 28% | 0.282 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68 | -34.5 | 178.2 | -171.4 | -94.1 | 0 | 0 | 0 | 112.5 | Y1018 F1049 L1051 R1055 P1057 L1060 | Y1018-Y1053 HydrophobicContact CE1-CD2 4.42Å; Y1018-Y1053 HydrophobicContact CE1-CE2 4.03Å; F1049-Y1053 HydrophobicContact CE1-CD2 4Å; F1049-Y1053 HydrophobicContact CE1-CG 4.19Å; F1049-Y1053 HydrophobicContact CZ-CD2 4.2Å; F1049-Y1053 WeakPolarHBondContact O-CB 3.25Å; F1049-Y1053 PolarHBondContact O-N 3.17Å; L1051-Y1053 PolarHBondContact O-N 2.72Å; Y1053-R1055 PolarHBondContact O-N 3.01Å; Y1053-P1057 VanDerWaalsContact O-CA 3.31Å; Y1053-P1057 WeakPolarHBondContact O-CA 3.2Å; Y1053-P1057 WeakPolarHBondContact O-CB 3.46Å; Y1053-L1060 HydrophobicContact CD2-CB 3.91Å; Y1053-L1060 HydrophobicContact CE2-CB 4.49Å; Y1053-L1060 WeakPolarHBondContact CE2-O 3.36Å |
| 1054 | K | 70.5 | Confident | 73.5 | Confident | 179 Ų | 179 | 39.2 Ų | 39.2 | 78% | 0.778 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -63.2 | -32 | 174 | -172.4 | -179.1 | 177.3 | -171.3 | 0 | 111.9 | S1050 L1051 | S1050-K1054 WeakPolarHBondContact O-CB 3.33Å; S1050-K1054 PolarHBondContact O-N 3.46Å; L1051-K1054 PolarHBondContact O-N 2.87Å |
| 1055 | R | 72.5 | Confident | 74.6 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 25% | 0.253 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -87.2 | -43 | -178.8 | -72.6 | 167.5 | 171.1 | -104.2 | -4.4 | 113.3 | H627 E951 D952 L1051 A1052 Y1053 P1057 | H627-R1055 PolarHBondContact NE2-NH2 2.84Å; H627-R1055 VanDerWaalsContact NE2-NH2 3.16Å; E951-R1055 IonicContact OE1-CZ 3.51Å; E951-R1055 IonicContact OE1-NH1 2.63Å; E951-R1055 IonicContact OE1-NH2 3.11Å; E951-R1055 PolarHBondContact OE1-NH2 3.46Å; E951-R1055 IonicContact OE2-CZ 2.77Å; E951-R1055 VanDerWaalsContact OE2-CZ 3.23Å; E951-R1055 IonicContact OE2-NH1 3.09Å; E951-R1055 PolarHBondContact OE2-NH1 3.23Å; E951-R1055 IonicContact OE2-NH2 2.84Å; E951-R1055 PolarHBondContact OE2-NH2 3.33Å; D952-R1055 WeakPolarHBondContact OD1-CB 3.3Å; D952-R1055 WeakPolarHBondContact OD1-CD 3.47Å; D952-R1055 IonicContact OD1-CZ 3.97Å; D952-R1055 IonicContact OD1-NH1 3.27Å; D952-R1055 PolarHBondContact OD1-NH1 2.82Å; L1051-R1055 PolarHBondContact O-N 3.46Å; A1052-R1055 PolarHBondContact O-N 3.18Å; Y1053-R1055 PolarHBondContact O-N 3.01Å; R1055-P1057 VanDerWaalsContact O-CD 3.3Å; R1055-P1057 WeakPolarHBondContact O-CD 3.38Å |
| 1056 | L | 76.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -122.9 | 59.9 | -173.9 | -63 | 173.2 | 0 | 0 | 0 | 111.9 | D952 V956 L996 A1052 F1058 L1060 | D952-L1056 HydrophobicContact CB-CD1 4.16Å; D952-L1056 HydrophobicContact CB-CD2 4.28Å; D952-L1056 HydrophobicContact CB-CG 4.26Å; V956-L1056 HydrophobicContact CG2-CD1 3.61Å; L996-L1056 HydrophobicContact CD1-CD1 4.01Å; A1052-L1056 PolarHBondContact O-N 2.69Å; L1056-F1058 PolarHBondContact O-N 2.79Å; L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 PolarHBondContact O-N 3.46Å; L1056-L1060 VanDerWaalsContact O-N 3.07Å | ||
| 1057 | P | 72.3 | Confident | 76.8 | Confident | 43 Ų | 43 | 34 Ų | 34 | 28% | 0.279 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -36 | -171 | 25.8 | -34.6 | 0 | 0 | 0 | 113.5 | Y1053 R1055 L1060 E1061 | Y1053-P1057 VanDerWaalsContact O-CA 3.31Å; Y1053-P1057 WeakPolarHBondContact O-CA 3.2Å; Y1053-P1057 WeakPolarHBondContact O-CB 3.46Å; R1055-P1057 VanDerWaalsContact O-CD 3.3Å; R1055-P1057 WeakPolarHBondContact O-CD 3.38Å; P1057-L1060 CarbonylContact O-C 3.56Å; P1057-E1061 WeakPolarHBondContact O-CA 3.29Å; P1057-E1061 PolarHBondContact O-N 3.3Å |
| 1058 | F | 71.5 | Confident | 77.8 | Confident | 78 Ų | 78 | 32.8 Ų | 32.8 | 34% | 0.342 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -36.1 | -178.3 | -61.2 | -80.7 | 0 | 0 | 0 | 112.3 | L1056 L1060 E1061 T1064 S1172 E1174 | L1056-F1058 PolarHBondContact O-N 2.79Å; F1058-L1060 PolarHBondContact O-N 3.24Å; F1058-E1061 WeakPolarHBondContact O-CB 3.46Å; F1058-E1061 PolarHBondContact O-N 3.38Å; F1058-T1064 PolarHBondContact O-OG1 3.17Å; F1058-S1172 VanDerWaalsContact CZ-OG 3.23Å; F1058-S1172 WeakPolarHBondContact CZ-OG 3.45Å; F1058-E1174 HydrophobicContact CB-CG 3.94Å; F1058-E1174 WeakPolarHBondContact CB-OE1 3.27Å; F1058-E1174 HydrophobicContact CD2-CG 3.3Å; F1058-E1174 WeakPolarHBondContact CD2-OE1 3.49Å; F1058-E1174 HydrophobicContact CE2-CG 4.1Å; F1058-E1174 HydrophobicContact CG-CG 3.89Å; F1058-E1174 PolarHBondContact N-OE1 3.08Å |
| 1059 | T | 75.1 | Confident | 78.7 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.1 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | L996 T997 | L996-T1059 HydrophobicContact CB-CG2 3.59Å; L996-T1059 HydrophobicContact CD1-CG2 4.42Å; T997-T1059 WeakPolarHBondContact OG1-CG2 3.43Å; T997-T1059 PolarHBondContact OG1-O 2.98Å |
| 1060 | L | 80.2 | Confident | 79.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 20.3 | 177 | -60.3 | 176.3 | 0 | 0 | 0 | 113.4 | F1000 Y1018 F1049 A1052 Y1053 L1056 P1057 F1058 I1065 | F1000-L1060 HydrophobicContact CB-CD2 4.31Å; F1000-L1060 HydrophobicContact CD1-CD2 3.98Å; F1000-L1060 HydrophobicContact CD2-CD2 4.11Å; F1000-L1060 HydrophobicContact CE1-CD2 4.33Å; F1000-L1060 HydrophobicContact CE2-CD2 4.47Å; F1000-L1060 HydrophobicContact CG-CD2 3.86Å; Y1018-L1060 WeakPolarHBondContact CE1-O 3.38Å; Y1018-L1060 PolarHBondContact OH-O 3.39Å; F1049-L1060 HydrophobicContact CE2-CD1 4.28Å; A1052-L1060 HydrophobicContact CB-CD1 3.87Å; Y1053-L1060 HydrophobicContact CD2-CB 3.91Å; Y1053-L1060 HydrophobicContact CE2-CB 4.49Å; Y1053-L1060 WeakPolarHBondContact CE2-O 3.36Å; L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 PolarHBondContact O-N 3.46Å; L1056-L1060 VanDerWaalsContact O-N 3.07Å; P1057-L1060 CarbonylContact O-C 3.56Å; F1058-L1060 PolarHBondContact O-N 3.24Å; L1060-I1065 HydrophobicContact CB-CD1 4.15Å; L1060-I1065 HydrophobicContact CD2-CD1 3.96Å |
| 1061 | E | 82.7 | Confident | 80.2 | Confident | 64 Ų | 64 | 32.4 Ų | 32.4 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | trans | -62.7 | 138.8 | 176.1 | -177 | 176.9 | -175 | 0 | 0 | 110.3 | P1057 F1058 D1063 T1064 I1065 | P1057-E1061 WeakPolarHBondContact O-CA 3.29Å; P1057-E1061 PolarHBondContact O-N 3.3Å; F1058-E1061 WeakPolarHBondContact O-CB 3.46Å; F1058-E1061 PolarHBondContact O-N 3.38Å; E1061-D1063 PolarHBondContact O-N 3.23Å; E1061-T1064 HydrophobicContact CB-CG2 3.91Å; E1061-T1064 HydrophobicContact CG-CG2 4.34Å; E1061-T1064 PolarHBondContact O-N 3.12Å; E1061-T1064 PolarHBondContact O-OG1 2.94Å; E1061-I1065 PolarHBondContact O-N 3.37Å | ||
| 1062 | L | 85 | Confident | 80.9 | Confident | 36 Ų | 36 | 31 Ų | 31 | 19% | 0.188 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.3 | -51.2 | -173.2 | 176.1 | 62.4 | 0 | 0 | 0 | 112.1 | V1014 L1015 Y1018 T1064 I1065 L1066 | V1014-L1062 HydrophobicContact CG1-CD1 4.13Å; L1015-L1062 HydrophobicContact CD2-CD1 4.13Å; L1015-L1062 HydrophobicContact CD2-CD2 3.71Å; L1015-L1062 HydrophobicContact CD2-CG 4.44Å; Y1018-L1062 HydrophobicContact CD1-CB 3.9Å; Y1018-L1062 HydrophobicContact CD1-CD1 4.2Å; Y1018-L1062 HydrophobicContact CD1-CG 4.48Å; Y1018-L1062 HydrophobicContact CD2-CD1 3.7Å; Y1018-L1062 HydrophobicContact CE1-CB 3.84Å; Y1018-L1062 HydrophobicContact CE1-CD1 4.35Å; Y1018-L1062 HydrophobicContact CE2-CD1 3.87Å; Y1018-L1062 HydrophobicContact CG-CB 4.41Å; Y1018-L1062 HydrophobicContact CG-CD1 3.86Å; L1062-T1064 VanDerWaalsContact C-N 3.31Å; L1062-T1064 PolarHBondContact O-N 2.8Å; L1062-I1065 PolarHBondContact O-N 3.22Å; L1062-L1066 HydrophobicContact CD1-CD1 3.96Å; L1062-L1066 HydrophobicContact CD1-CD2 4.48Å; L1062-L1066 HydrophobicContact CD1-CG 4.05Å; L1062-L1066 HydrophobicContact CG-CD1 3.92Å; L1062-L1066 HydrophobicContact CG-CG 4.38Å; L1062-L1066 WeakPolarHBondContact O-CB 3.41Å; L1062-L1066 VanDerWaalsContact O-CG 3.22Å; L1062-L1066 WeakPolarHBondContact O-CG 3.5Å; L1062-L1066 PolarHBondContact O-N 3.39Å |
| 1063 | D | 85.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.6 | -27 | -176.1 | -69.9 | -35.2 | 0 | 0 | 0 | 112.4 | E1061 S1067 F1097 S1098 G1101 I1104 | E1061-D1063 PolarHBondContact O-N 3.23Å; D1063-S1067 WeakPolarHBondContact O-CB 3.4Å; D1063-S1067 PolarHBondContact O-N 3.16Å; D1063-F1097 HydrophobicContact CB-CD1 4.28Å; D1063-F1097 HydrophobicContact CB-CE1 4.46Å; D1063-S1098 PolarHBondContact OD1-N 3.38Å; D1063-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1063-S1098 PolarHBondContact OD2-OG 3.18Å; D1063-G1101 VanDerWaalsContact OD2-CA 3.31Å; D1063-G1101 WeakPolarHBondContact OD2-CA 3.46Å; D1063-G1101 PolarHBondContact OD2-N 2.89Å; D1063-G1101 VanDerWaalsContact OD2-N 3.16Å; D1063-I1104 HydrophobicContact CB-CD1 4.13Å |
| 1064 | T | 83.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.8 | -42.8 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 111 | F1058 E1061 L1062 S1067 T1068 L1232 V1234 | F1058-T1064 PolarHBondContact O-OG1 3.17Å; E1061-T1064 HydrophobicContact CB-CG2 3.91Å; E1061-T1064 HydrophobicContact CG-CG2 4.34Å; E1061-T1064 PolarHBondContact O-N 3.12Å; E1061-T1064 PolarHBondContact O-OG1 2.94Å; L1062-T1064 VanDerWaalsContact C-N 3.31Å; L1062-T1064 PolarHBondContact O-N 2.8Å; T1064-S1067 PolarHBondContact O-N 3.47Å; T1064-S1067 PolarHBondContact O-OG 3.03Å; T1064-T1068 PolarHBondContact O-N 2.92Å; T1064-T1068 VanDerWaalsContact O-N 3.14Å; T1064-T1068 PolarHBondContact O-OG1 3.07Å; T1064-L1232 HydrophobicContact CG2-CD2 4.29Å; T1064-V1234 HydrophobicContact CG2-CG2 3.96Å |
| 1065 | I | 85.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 173.6 | -74.6 | 164.2 | 0 | 0 | 0 | 111.1 | T997 F1000 S1001 I1004 Y1018 L1060 E1061 L1062 S1067 T1068 V1069 | T997-I1065 HydrophobicContact CG2-CG1 4.17Å; F1000-I1065 HydrophobicContact CD1-CD1 3.46Å; F1000-I1065 VanDerWaalsContact CD1-CD1 3.46Å; F1000-I1065 HydrophobicContact CD1-CG1 3.96Å; F1000-I1065 HydrophobicContact CD1-CG2 4.25Å; F1000-I1065 HydrophobicContact CE1-CD1 3.58Å; F1000-I1065 HydrophobicContact CE1-CG1 4.44Å; F1000-I1065 HydrophobicContact CE1-CG2 4.39Å; S1001-I1065 PolarHBondContact OG-O 3.06Å; I1004-I1065 HydrophobicContact CD1-CG2 3.44Å; I1004-I1065 VanDerWaalsContact CD1-CG2 3.44Å; Y1018-I1065 WeakPolarHBondContact OH-CD1 3.28Å; L1060-I1065 HydrophobicContact CB-CD1 4.15Å; L1060-I1065 HydrophobicContact CD2-CD1 3.96Å; E1061-I1065 PolarHBondContact O-N 3.37Å; L1062-I1065 PolarHBondContact O-N 3.22Å; I1065-S1067 VanDerWaalsContact C-N 3.26Å; I1065-S1067 PolarHBondContact O-N 3.31Å; I1065-T1068 WeakPolarHBondContact CA-OG1 3.39Å; I1065-T1068 PolarHBondContact O-N 3.1Å; I1065-T1068 PolarHBondContact O-OG1 3.04Å; I1065-V1069 HydrophobicContact CG2-CG2 4.08Å; I1065-V1069 WeakPolarHBondContact O-CB 3.16Å; I1065-V1069 VanDerWaalsContact O-CG2 3.28Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; I1065-V1069 PolarHBondContact O-N 2.94Å |
| 1066 | L | 87.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 178 | -68.7 | 174.8 | 0 | 0 | 0 | 110.9 | L1062 T1068 V1069 C1070 F1093 F1097 | L1062-L1066 HydrophobicContact CD1-CD1 3.96Å; L1062-L1066 HydrophobicContact CD1-CD2 4.48Å; L1062-L1066 HydrophobicContact CD1-CG 4.05Å; L1062-L1066 HydrophobicContact CG-CD1 3.92Å; L1062-L1066 HydrophobicContact CG-CG 4.38Å; L1062-L1066 WeakPolarHBondContact O-CB 3.41Å; L1062-L1066 VanDerWaalsContact O-CG 3.22Å; L1062-L1066 WeakPolarHBondContact O-CG 3.5Å; L1062-L1066 PolarHBondContact O-N 3.39Å; L1066-T1068 PolarHBondContact O-N 3.32Å; L1066-V1069 PolarHBondContact O-N 2.77Å; L1066-C1070 WeakPolarHBondContact O-CB 2.97Å; L1066-C1070 PolarHBondContact O-N 2.87Å; L1066-C1070 PolarHBondContact O-SG 3.05Å; L1066-F1093 HydrophobicContact CD2-CD1 3.61Å; L1066-F1093 HydrophobicContact CD2-CE1 4.12Å; L1066-F1097 HydrophobicContact CB-CD2 4.43Å; L1066-F1097 HydrophobicContact CB-CE2 3.98Å; L1066-F1097 HydrophobicContact CB-CZ 4.14Å |
| 1067 | S | 87.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.2 | 77.9 | 0 | 0 | 0 | 0 | 114 | D1063 T1064 I1065 C1070 W1071 L1233 V1234 | D1063-S1067 WeakPolarHBondContact O-CB 3.4Å; D1063-S1067 PolarHBondContact O-N 3.16Å; T1064-S1067 PolarHBondContact O-N 3.47Å; T1064-S1067 PolarHBondContact O-OG 3.03Å; I1065-S1067 VanDerWaalsContact C-N 3.26Å; I1065-S1067 PolarHBondContact O-N 3.31Å; S1067-C1070 WeakPolarHBondContact O-CB 3.44Å; S1067-C1070 PolarHBondContact O-N 3.35Å; S1067-W1071 PolarHBondContact O-N 2.97Å; S1067-W1071 VanDerWaalsContact O-N 3.1Å; S1067-L1233 VanDerWaalsContact O-CD2 3.3Å; S1067-L1233 WeakPolarHBondContact O-CD2 3.1Å; S1067-V1234 WeakPolarHBondContact OG-CG2 3.45Å |
| 1068 | T | 86.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 20.6 Ų | 20.6 | 9% | 0.092 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.2 | -39.1 | -178.8 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | T997 S1001 T1064 I1065 L1066 W1071 I1072 L1233 | T997-T1068 HydrophobicContact CG2-CG2 3.99Å; S1001-T1068 WeakPolarHBondContact CB-OG1 3.43Å; S1001-T1068 PolarHBondContact OG-OG1 2.73Å; T1064-T1068 PolarHBondContact O-N 2.92Å; T1064-T1068 VanDerWaalsContact O-N 3.14Å; T1064-T1068 PolarHBondContact O-OG1 3.07Å; I1065-T1068 WeakPolarHBondContact CA-OG1 3.39Å; I1065-T1068 PolarHBondContact O-N 3.1Å; I1065-T1068 PolarHBondContact O-OG1 3.04Å; L1066-T1068 PolarHBondContact O-N 3.32Å; T1068-W1071 PolarHBondContact O-N 2.75Å; T1068-I1072 VanDerWaalsContact O-CG1 3.26Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.19Å; T1068-I1072 PolarHBondContact O-N 3.1Å; T1068-L1233 HydrophobicContact CG2-CB 4.12Å; T1068-L1233 HydrophobicContact CG2-CD2 4.27Å |
| 1069 | V | 86.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 171.5 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | I1004 V1005 I1065 L1066 W1071 I1072 H1073 F1093 | I1004-V1069 HydrophobicContact CB-CG2 4.1Å; I1004-V1069 HydrophobicContact CD1-CG2 4Å; I1004-V1069 HydrophobicContact CG2-CG1 4.34Å; I1004-V1069 HydrophobicContact CG2-CG2 4.04Å; V1005-V1069 HydrophobicContact CG2-CG1 3.95Å; I1065-V1069 HydrophobicContact CG2-CG2 4.08Å; I1065-V1069 WeakPolarHBondContact O-CB 3.16Å; I1065-V1069 VanDerWaalsContact O-CG2 3.28Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; I1065-V1069 PolarHBondContact O-N 2.94Å; L1066-V1069 PolarHBondContact O-N 2.77Å; V1069-W1071 VanDerWaalsContact C-N 3.25Å; V1069-W1071 PolarHBondContact O-N 3.43Å; V1069-I1072 PolarHBondContact O-N 2.62Å; V1069-H1073 PolarHBondContact O-N 3.42Å; V1069-F1093 HydrophobicContact CG1-CD1 3.95Å; V1069-F1093 HydrophobicContact CG1-CD2 3.88Å; V1069-F1093 HydrophobicContact CG1-CE1 3.8Å; V1069-F1093 HydrophobicContact CG1-CE2 3.74Å; V1069-F1093 HydrophobicContact CG1-CG 4.02Å; V1069-F1093 HydrophobicContact CG1-CZ 3.7Å |
| 1070 | C | 87.1 | Confident | 84 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 175.8 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | L1066 S1067 F1074 C1090 F1093 I1094 L1108 | L1066-C1070 WeakPolarHBondContact O-CB 2.97Å; L1066-C1070 PolarHBondContact O-N 2.87Å; L1066-C1070 PolarHBondContact O-SG 3.05Å; S1067-C1070 WeakPolarHBondContact O-CB 3.44Å; S1067-C1070 PolarHBondContact O-N 3.35Å; C1070-F1074 WeakPolarHBondContact O-CB 3.33Å; C1070-F1074 PolarHBondContact O-N 3.03Å; C1070-C1090 PolarHBondContact O-SG 3.44Å; C1070-F1093 VanDerWaalsContact SG-C 3.59Å; C1070-F1093 WeakPolarHBondContact SG-CB 3.31Å; C1070-I1094 HydrophobicContact CB-CG1 3.97Å; C1070-I1094 WeakPolarHBondContact SG-CG1 3.33Å; C1070-I1094 PolarHBondContact SG-N 3.1Å; C1070-I1094 VanDerWaalsContact SG-N 3.38Å; C1070-L1108 HydrophobicContact CB-CD2 3.72Å |
| 1071 | W | 87.6 | Confident | 83.7 | Confident | 43 Ų | 43 | 28.1 Ų | 28.1 | 16% | 0.163 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.3 | -42 | -178.5 | -173.4 | -104.4 | 0 | 0 | 0 | 113.1 | S1067 T1068 V1069 F1074 Q1075 L1108 M1111 I1112 K1115 L1233 | S1067-W1071 PolarHBondContact O-N 2.97Å; S1067-W1071 VanDerWaalsContact O-N 3.1Å; T1068-W1071 PolarHBondContact O-N 2.75Å; V1069-W1071 VanDerWaalsContact C-N 3.25Å; V1069-W1071 PolarHBondContact O-N 3.43Å; W1071-F1074 HydrophobicContact CE3-CD1 4.31Å; W1071-F1074 HydrophobicContact CZ3-CD1 4.32Å; W1071-F1074 PolarHBondContact O-N 3.43Å; W1071-Q1075 WeakPolarHBondContact O-CB 3.23Å; W1071-Q1075 PolarHBondContact O-N 2.9Å; W1071-L1108 HydrophobicContact CE3-CD1 3.89Å; W1071-M1111 HydrophobicContact CH2-CB 4.14Å; W1071-M1111 HydrophobicContact CH2-CE 3.62Å; W1071-M1111 HydrophobicContact CZ2-CE 4.11Å; W1071-M1111 HydrophobicContact CZ3-CB 3.77Å; W1071-M1111 HydrophobicContact CZ3-CE 3.99Å; W1071-I1112 HydrophobicContact CE3-CG1 4.34Å; W1071-I1112 HydrophobicContact CZ3-CG1 4.31Å; W1071-K1115 HydrophobicContact CH2-CD 3.49Å; W1071-K1115 VanDerWaalsContact CH2-CD 3.49Å; W1071-K1115 VanDerWaalsContact CH2-CE 3.48Å; W1071-K1115 HydrophobicContact CH2-CG 4.25Å; W1071-K1115 HydrophobicContact CZ2-CD 3.94Å; W1071-K1115 HydrophobicContact CZ3-CD 4.41Å; W1071-L1233 HydrophobicContact CB-CD1 4.46Å; W1071-L1233 HydrophobicContact CB-CD2 3.39Å; W1071-L1233 HydrophobicContact CD2-CD1 3.8Å; W1071-L1233 HydrophobicContact CD2-CD2 4.29Å; W1071-L1233 HydrophobicContact CE3-CD1 4.29Å; W1071-L1233 HydrophobicContact CG-CD1 3.9Å; W1071-L1233 HydrophobicContact CG-CD2 3.74Å; W1071-L1233 HydrophobicContact CG-CG 4.49Å; W1071-L1233 HydrophobicContact CZ2-CD1 4.35Å |
| 1072 | I | 84.5 | Confident | 83.2 | Confident | 37 Ų | 37 | 31.7 Ų | 31.7 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.2 | -66.5 | 163.6 | 0 | 0 | 0 | 109.7 | V1005 T1068 V1069 F1074 Q1075 C1076 | V1005-I1072 HydrophobicContact CB-CG2 4.26Å; V1005-I1072 HydrophobicContact CG1-CG2 4.11Å; V1005-I1072 HydrophobicContact CG2-CB 4.15Å; V1005-I1072 HydrophobicContact CG2-CG2 3.86Å; T1068-I1072 VanDerWaalsContact O-CG1 3.26Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.19Å; T1068-I1072 PolarHBondContact O-N 3.1Å; V1069-I1072 PolarHBondContact O-N 2.62Å; I1072-F1074 VanDerWaalsContact C-N 3.35Å; I1072-F1074 PolarHBondContact O-N 3.07Å; I1072-Q1075 PolarHBondContact O-N 3.27Å; I1072-C1076 PolarHBondContact O-N 3.15Å; I1072-C1076 PolarHBondContact O-SG 3.39Å |
| 1073 | H | 84.5 | Confident | 82.8 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.1 | -84.7 | -49.3 | 0 | 0 | 0 | 112.6 | V1069 Q1075 C1076 W1077 H1086 C1090 F1093 | V1069-H1073 PolarHBondContact O-N 3.42Å; H1073-Q1075 VanDerWaalsContact C-N 3.34Å; H1073-Q1075 PolarHBondContact O-N 2.9Å; H1073-C1076 PolarHBondContact O-N 2.64Å; H1073-W1077 PolarHBondContact O-N 3.1Å; H1073-H1086 AromaticContact CE1-ND1 3.63Å; H1073-H1086 AromaticContact ND1-CE1 3.89Å; H1073-H1086 AromaticContact ND1-CG 3.94Å; H1073-H1086 AromaticContact ND1-ND1 3.06Å; H1073-H1086 PolarHBondContact ND1-ND1 3.22Å; H1073-H1086 WeakPolarHBondContact O-CB 3.26Å; H1073-C1090 HydrophobicContact CB-CB 4.08Å; H1073-F1093 AromaticContact CD2-CD2 3.98Å; H1073-F1093 AromaticContact CD2-CE2 3.94Å; H1073-F1093 AromaticContact NE2-CE2 3.78Å |
| 1074 | F | 85.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.3 | -179.8 | -115.6 | 0 | 0 | 0 | 112.2 | C1070 W1071 I1072 W1077 L1078 I1112 K1115 L1117 | C1070-F1074 WeakPolarHBondContact O-CB 3.33Å; C1070-F1074 PolarHBondContact O-N 3.03Å; W1071-F1074 HydrophobicContact CE3-CD1 4.31Å; W1071-F1074 HydrophobicContact CZ3-CD1 4.32Å; W1071-F1074 PolarHBondContact O-N 3.43Å; I1072-F1074 VanDerWaalsContact C-N 3.35Å; I1072-F1074 PolarHBondContact O-N 3.07Å; F1074-W1077 AromaticContact CD2-CE3 3.99Å; F1074-W1077 HydrophobicContact CD2-CE3 3.99Å; F1074-W1077 HydrophobicContact CD2-CZ3 4.36Å; F1074-W1077 AromaticContact CE2-CE3 3.85Å; F1074-W1077 HydrophobicContact CE2-CE3 3.85Å; F1074-W1077 AromaticContact CE2-CZ3 3.77Å; F1074-W1077 HydrophobicContact CE2-CZ3 3.77Å; F1074-W1077 PolarHBondContact O-N 3.11Å; F1074-L1078 HydrophobicContact CD1-CD1 3.93Å; F1074-L1078 HydrophobicContact CD1-CG 4.48Å; F1074-L1078 HydrophobicContact CE1-CD1 3.41Å; F1074-L1078 VanDerWaalsContact CE1-CD1 3.41Å; F1074-L1078 HydrophobicContact CE1-CG 4.11Å; F1074-L1078 HydrophobicContact CE2-CD1 4.4Å; F1074-L1078 HydrophobicContact CE2-CD2 4.39Å; F1074-L1078 HydrophobicContact CE2-CG 4.23Å; F1074-L1078 HydrophobicContact CZ-CD1 3.68Å; F1074-L1078 HydrophobicContact CZ-CD2 4.14Å; F1074-L1078 HydrophobicContact CZ-CG 3.97Å; F1074-L1078 WeakPolarHBondContact O-CG 3.32Å; F1074-L1078 PolarHBondContact O-N 3.47Å; F1074-I1112 HydrophobicContact CD1-CG1 4.06Å; F1074-I1112 HydrophobicContact CD2-CG2 3.86Å; F1074-I1112 HydrophobicContact CE1-CB 4.41Å; F1074-I1112 HydrophobicContact CE1-CG1 4.29Å; F1074-I1112 HydrophobicContact CE1-CG2 4.35Å; F1074-I1112 HydrophobicContact CE2-CG2 3.61Å; F1074-I1112 HydrophobicContact CG-CG1 4.16Å; F1074-I1112 HydrophobicContact CG-CG2 4.34Å; F1074-I1112 HydrophobicContact CZ-CB 4.35Å; F1074-I1112 HydrophobicContact CZ-CG2 3.87Å; F1074-I1112 WeakPolarHBondContact CZ-O 3.29Å; F1074-K1115 HydrophobicContact CE1-CB 4.03Å; F1074-K1115 HydrophobicContact CZ-CB 4.46Å; F1074-L1117 HydrophobicContact CE2-CD2 4.38Å; F1074-L1117 HydrophobicContact CE2-CG 4.12Å |
| 1075 | Q | 83.5 | Confident | 82.4 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.29 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.4 | -167.4 | 67.8 | 30.6 | 0 | 0 | 111.6 | W1071 I1072 H1073 W1077 L1078 N1079 | W1071-Q1075 WeakPolarHBondContact O-CB 3.23Å; W1071-Q1075 PolarHBondContact O-N 2.9Å; I1072-Q1075 PolarHBondContact O-N 3.27Å; H1073-Q1075 VanDerWaalsContact C-N 3.34Å; H1073-Q1075 PolarHBondContact O-N 2.9Å; Q1075-W1077 VanDerWaalsContact C-N 3.28Å; Q1075-W1077 PolarHBondContact O-N 3.2Å; Q1075-L1078 PolarHBondContact O-N 3.23Å; Q1075-N1079 PolarHBondContact NE2-OD1 3.15Å; Q1075-N1079 VanDerWaalsContact O-CG 3.32Å; Q1075-N1079 PolarHBondContact O-N 2.85Å; Q1075-N1079 PolarHBondContact O-OD1 3.15Å |
| 1076 | C | 80.8 | Confident | 82.4 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 174.3 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | I1072 H1073 N1079 N1080 H1086 | I1072-C1076 PolarHBondContact O-N 3.15Å; I1072-C1076 PolarHBondContact O-SG 3.39Å; H1073-C1076 PolarHBondContact O-N 2.64Å; C1076-N1079 PolarHBondContact O-N 3.25Å; C1076-N1080 PolarHBondContact O-N 3.16Å; C1076-H1086 HydrophobicContact CB-CB 4.48Å |
| 1077 | W | 82.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 174.9 | 175.8 | 66 | 0 | 0 | 0 | 112.7 | H1073 F1074 Q1075 N1079 N1080 L1081 H1086 L1087 L1117 W1120 V1147 | H1073-W1077 PolarHBondContact O-N 3.1Å; F1074-W1077 AromaticContact CD2-CE3 3.99Å; F1074-W1077 HydrophobicContact CD2-CE3 3.99Å; F1074-W1077 HydrophobicContact CD2-CZ3 4.36Å; F1074-W1077 AromaticContact CE2-CE3 3.85Å; F1074-W1077 HydrophobicContact CE2-CE3 3.85Å; F1074-W1077 AromaticContact CE2-CZ3 3.77Å; F1074-W1077 HydrophobicContact CE2-CZ3 3.77Å; F1074-W1077 PolarHBondContact O-N 3.11Å; Q1075-W1077 VanDerWaalsContact C-N 3.28Å; Q1075-W1077 PolarHBondContact O-N 3.2Å; W1077-N1079 VanDerWaalsContact C-N 3.29Å; W1077-N1079 PolarHBondContact O-N 3.01Å; W1077-N1080 CarbonylContact O-C 3.5Å; W1077-N1080 PolarHBondContact O-N 2.92Å; W1077-N1080 VanDerWaalsContact O-O 3.09Å; W1077-L1081 HydrophobicContact CZ2-CD2 4.18Å; W1077-L1081 PolarHBondContact O-N 2.74Å; W1077-H1086 HydrophobicContact CB-CB 4Å; W1077-L1087 HydrophobicContact CB-CB 4.48Å; W1077-L1087 HydrophobicContact CD2-CB 3.99Å; W1077-L1087 HydrophobicContact CD2-CD1 4.26Å; W1077-L1087 HydrophobicContact CD2-CD2 4.31Å; W1077-L1087 HydrophobicContact CD2-CG 4.41Å; W1077-L1087 HydrophobicContact CE3-CD1 4.06Å; W1077-L1087 HydrophobicContact CG-CB 3.89Å; W1077-L1087 HydrophobicContact CH2-CD2 4.13Å; W1077-L1087 HydrophobicContact CZ2-CD2 3.81Å; W1077-L1087 HydrophobicContact CZ3-CD1 4.25Å; W1077-L1117 HydrophobicContact CH2-CD2 3.73Å; W1077-L1117 HydrophobicContact CZ3-CD2 3.68Å; W1077-W1120 AromaticContact CH2-CD1 3.85Å; W1077-W1120 AromaticContact CH2-CE2 3.89Å; W1077-W1120 HydrophobicContact CH2-CZ2 4.35Å; W1077-W1120 AromaticContact CH2-NE1 3.32Å; W1077-W1120 VanDerWaalsContact CH2-NE1 3.32Å; W1077-W1120 AromaticContact CZ2-CE2 3.91Å; W1077-W1120 AromaticContact CZ2-CZ2 3.95Å; W1077-W1120 HydrophobicContact CZ2-CZ2 3.95Å; W1077-W1120 AromaticContact CZ2-NE1 3.82Å; W1077-V1147 HydrophobicContact CZ2-CG2 4.07Å |
| 1078 | L | 79.2 | Confident | 82.2 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -36.7 | 176.2 | -76.1 | 179 | 0 | 0 | 0 | 112.4 | F1074 Q1075 | F1074-L1078 HydrophobicContact CD1-CD1 3.93Å; F1074-L1078 HydrophobicContact CD1-CG 4.48Å; F1074-L1078 HydrophobicContact CE1-CD1 3.41Å; F1074-L1078 VanDerWaalsContact CE1-CD1 3.41Å; F1074-L1078 HydrophobicContact CE1-CG 4.11Å; F1074-L1078 HydrophobicContact CE2-CD1 4.4Å; F1074-L1078 HydrophobicContact CE2-CD2 4.39Å; F1074-L1078 HydrophobicContact CE2-CG 4.23Å; F1074-L1078 HydrophobicContact CZ-CD1 3.68Å; F1074-L1078 HydrophobicContact CZ-CD2 4.14Å; F1074-L1078 HydrophobicContact CZ-CG 3.97Å; F1074-L1078 WeakPolarHBondContact O-CG 3.32Å; F1074-L1078 PolarHBondContact O-N 3.47Å; Q1075-L1078 PolarHBondContact O-N 3.23Å |
| 1079 | N | 78 | Confident | 82 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.3 | -35.5 | 177.6 | -68.9 | 2.8 | 0 | 0 | 0 | 111.7 | Q1075 C1076 W1077 | Q1075-N1079 PolarHBondContact NE2-OD1 3.15Å; Q1075-N1079 VanDerWaalsContact O-CG 3.32Å; Q1075-N1079 PolarHBondContact O-N 2.85Å; Q1075-N1079 PolarHBondContact O-OD1 3.15Å; C1076-N1079 PolarHBondContact O-N 3.25Å; W1077-N1079 VanDerWaalsContact C-N 3.29Å; W1077-N1079 PolarHBondContact O-N 3.01Å |
| 1080 | N | 78.8 | Confident | 82.1 | Confident | 91 Ų | 91 | 43.5 Ų | 43.5 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | trans | -133.9 | 96.1 | 176.3 | -97.9 | -24 | 0 | 0 | 0 | 111.9 | C1076 W1077 E1082 H1083 | C1076-N1080 PolarHBondContact O-N 3.16Å; W1077-N1080 CarbonylContact O-C 3.5Å; W1077-N1080 PolarHBondContact O-N 2.92Å; W1077-N1080 VanDerWaalsContact O-O 3.09Å; N1080-E1082 PolarHBondContact O-N 3.3Å; N1080-E1082 VanDerWaalsContact O-N 3.13Å; N1080-H1083 PolarHBondContact O-N 2.94Å; N1080-H1083 VanDerWaalsContact O-N 3.14Å | ||
| 1081 | L | 74.2 | Confident | 82.1 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.5 | -176.9 | -63.2 | 178.7 | 0 | 0 | 0 | 114 | W1077 H1083 W1120 F1141 | W1077-L1081 HydrophobicContact CZ2-CD2 4.18Å; W1077-L1081 PolarHBondContact O-N 2.74Å; L1081-H1083 VanDerWaalsContact C-N 3.34Å; L1081-W1120 HydrophobicContact CD1-CZ2 4.03Å; L1081-W1120 HydrophobicContact CD2-CZ2 3.92Å; L1081-W1120 HydrophobicContact CG-CZ2 4.45Å; L1081-F1141 HydrophobicContact CD1-CE1 4.37Å |
| 1082 | E | 72.5 | Confident | 82 | Confident | 139 Ų | 139 | 45.3 Ų | 45.3 | 65% | 0.65 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.9 | 176.7 | -60.8 | -173.4 | 170.8 | 0 | 0 | 112.5 | N1080 I1084 | N1080-E1082 PolarHBondContact O-N 3.3Å; N1080-E1082 VanDerWaalsContact O-N 3.13Å; E1082-I1084 VanDerWaalsContact C-N 3.31Å; E1082-I1084 PolarHBondContact O-N 3.03Å |
| 1083 | H | 77.4 | Confident | 82.1 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 44% | 0.44 | 22% | 0.222 | S | C | . | . | trans | -87.2 | 65.5 | -177.5 | -67.5 | -52.2 | 0 | 0 | 0 | 112.3 | N1080 L1081 N1085 H1086 | N1080-H1083 PolarHBondContact O-N 2.94Å; N1080-H1083 VanDerWaalsContact O-N 3.14Å; L1081-H1083 VanDerWaalsContact C-N 3.34Å; H1083-N1085 PolarHBondContact O-N 3.4Å; H1083-N1085 VanDerWaalsContact O-N 3.08Å; H1083-H1086 PolarHBondContact O-N 2.87Å; H1083-H1086 VanDerWaalsContact O-N 3.08Å | ||
| 1084 | I | 79.8 | Confident | 82.3 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -22 | -178 | -161.4 | 140.1 | 0 | 0 | 0 | 114.1 | E1082 H1086 L1087 I1088 H1143 D1146 V1147 T1369 | E1082-I1084 VanDerWaalsContact C-N 3.31Å; E1082-I1084 PolarHBondContact O-N 3.03Å; I1084-H1086 PolarHBondContact O-N 2.95Å; I1084-L1087 HydrophobicContact CG1-CB 4.43Å; I1084-L1087 WeakPolarHBondContact O-CA 3.5Å; I1084-L1087 WeakPolarHBondContact O-CB 3.38Å; I1084-L1087 PolarHBondContact O-N 3.27Å; I1084-I1088 WeakPolarHBondContact O-CG1 3.28Å; I1084-I1088 PolarHBondContact O-N 3.05Å; I1084-H1143 HydrophobicContact CD1-CB 3.88Å; I1084-D1146 HydrophobicContact CD1-CB 3.4Å; I1084-D1146 HydrophobicContact CG1-CB 4.28Å; I1084-V1147 HydrophobicContact CD1-CB 4.49Å; I1084-V1147 HydrophobicContact CD1-CG2 3.56Å; I1084-T1369 HydrophobicContact CG2-CG2 3.57Å |
| 1085 | N | 81 | Confident | 82.3 | Confident | 90 Ų | 90 | 46 Ų | 46 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.6 | -35.9 | 173.9 | -68.1 | -18.6 | 0 | 0 | 0 | 112.1 | H1083 L1087 I1088 S1089 | H1083-N1085 PolarHBondContact O-N 3.4Å; H1083-N1085 VanDerWaalsContact O-N 3.08Å; N1085-L1087 PolarHBondContact O-N 3.34Å; N1085-I1088 PolarHBondContact O-N 3.23Å; N1085-S1089 WeakPolarHBondContact O-CB 3.37Å; N1085-S1089 PolarHBondContact O-N 3.49Å; N1085-S1089 PolarHBondContact O-OG 2.86Å; N1085-S1089 VanDerWaalsContact O-OG 3.09Å |
| 1086 | H | 84.1 | Confident | 82.4 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 22% | 0.222 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 175.7 | -72.2 | -47.2 | 0 | 0 | 0 | 112.8 | H1073 C1076 W1077 H1083 I1084 C1090 | H1073-H1086 AromaticContact CE1-ND1 3.63Å; H1073-H1086 AromaticContact ND1-CE1 3.89Å; H1073-H1086 AromaticContact ND1-CG 3.94Å; H1073-H1086 AromaticContact ND1-ND1 3.06Å; H1073-H1086 PolarHBondContact ND1-ND1 3.22Å; H1073-H1086 WeakPolarHBondContact O-CB 3.26Å; C1076-H1086 HydrophobicContact CB-CB 4.48Å; W1077-H1086 HydrophobicContact CB-CB 4Å; H1083-H1086 PolarHBondContact O-N 2.87Å; H1083-H1086 VanDerWaalsContact O-N 3.08Å; I1084-H1086 PolarHBondContact O-N 2.95Å; H1086-C1090 VanDerWaalsContact O-CB 3.25Å; H1086-C1090 WeakPolarHBondContact O-CB 3.36Å; H1086-C1090 PolarHBondContact O-N 3.24Å |
| 1087 | L | 85.4 | Confident | 82.6 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 173.5 | -178 | 64.1 | 0 | 0 | 0 | 111.4 | W1077 I1084 N1085 C1090 I1091 L1117 V1147 C1150 | W1077-L1087 HydrophobicContact CB-CB 4.48Å; W1077-L1087 HydrophobicContact CD2-CB 3.99Å; W1077-L1087 HydrophobicContact CD2-CD1 4.26Å; W1077-L1087 HydrophobicContact CD2-CD2 4.31Å; W1077-L1087 HydrophobicContact CD2-CG 4.41Å; W1077-L1087 HydrophobicContact CE3-CD1 4.06Å; W1077-L1087 HydrophobicContact CG-CB 3.89Å; W1077-L1087 HydrophobicContact CH2-CD2 4.13Å; W1077-L1087 HydrophobicContact CZ2-CD2 3.81Å; W1077-L1087 HydrophobicContact CZ3-CD1 4.25Å; I1084-L1087 HydrophobicContact CG1-CB 4.43Å; I1084-L1087 WeakPolarHBondContact O-CA 3.5Å; I1084-L1087 WeakPolarHBondContact O-CB 3.38Å; I1084-L1087 PolarHBondContact O-N 3.27Å; N1085-L1087 PolarHBondContact O-N 3.34Å; L1087-C1090 WeakPolarHBondContact O-CB 3.35Å; L1087-C1090 PolarHBondContact O-N 2.91Å; L1087-I1091 HydrophobicContact CD1-CD1 4.29Å; L1087-I1091 HydrophobicContact CG-CD1 4.13Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.13Å; L1087-I1091 PolarHBondContact O-N 3.32Å; L1087-L1117 HydrophobicContact CD1-CD2 4.17Å; L1087-V1147 HydrophobicContact CD2-CG1 4.5Å; L1087-V1147 HydrophobicContact CD2-CG2 4.4Å; L1087-C1150 HydrophobicContact CD2-CB 3.88Å; L1087-C1150 HydrophobicContact CG-CB 4.31Å |
| 1088 | I | 85.3 | Confident | 82.6 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 175.9 | -62.3 | 174.9 | 0 | 0 | 0 | 110 | I1084 N1085 C1090 I1091 E1092 F1370 | I1084-I1088 WeakPolarHBondContact O-CG1 3.28Å; I1084-I1088 PolarHBondContact O-N 3.05Å; N1085-I1088 PolarHBondContact O-N 3.23Å; I1088-C1090 VanDerWaalsContact C-N 3.34Å; I1088-C1090 PolarHBondContact O-N 3.1Å; I1088-I1091 PolarHBondContact O-N 3.36Å; I1088-E1092 PolarHBondContact O-N 2.93Å; I1088-F1370 HydrophobicContact CD1-CE1 4.08Å; I1088-F1370 HydrophobicContact CD1-CE2 4.19Å; I1088-F1370 HydrophobicContact CD1-CZ 3.63Å; I1088-F1370 HydrophobicContact CG1-CE1 4.46Å; I1088-F1370 HydrophobicContact CG1-CZ 3.8Å |
| 1089 | S | 83.1 | Confident | 82.5 | Confident | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | N1085 I1091 E1092 F1093 | N1085-S1089 WeakPolarHBondContact O-CB 3.37Å; N1085-S1089 PolarHBondContact O-N 3.49Å; N1085-S1089 PolarHBondContact O-OG 2.86Å; N1085-S1089 VanDerWaalsContact O-OG 3.09Å; S1089-I1091 VanDerWaalsContact C-N 3.34Å; S1089-I1091 PolarHBondContact O-N 2.96Å; S1089-E1092 WeakPolarHBondContact O-CB 3.29Å; S1089-E1092 PolarHBondContact O-N 3.24Å; S1089-E1092 VanDerWaalsContact O-N 3.09Å; S1089-F1093 WeakPolarHBondContact O-CD2 3.24Å; S1089-F1093 PolarHBondContact O-N 3.44Å |
| 1090 | C | 88.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.3 | -51.4 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | C1070 H1073 H1086 L1087 I1088 E1092 F1093 I1094 | C1070-C1090 PolarHBondContact O-SG 3.44Å; H1073-C1090 HydrophobicContact CB-CB 4.08Å; H1086-C1090 VanDerWaalsContact O-CB 3.25Å; H1086-C1090 WeakPolarHBondContact O-CB 3.36Å; H1086-C1090 PolarHBondContact O-N 3.24Å; L1087-C1090 WeakPolarHBondContact O-CB 3.35Å; L1087-C1090 PolarHBondContact O-N 2.91Å; I1088-C1090 VanDerWaalsContact C-N 3.34Å; I1088-C1090 PolarHBondContact O-N 3.1Å; C1090-E1092 VanDerWaalsContact C-N 3.31Å; C1090-E1092 PolarHBondContact O-N 3.5Å; C1090-F1093 PolarHBondContact O-N 3.09Å; C1090-I1094 VanDerWaalsContact O-CG1 3.25Å; C1090-I1094 WeakPolarHBondContact O-CG1 3.3Å; C1090-I1094 PolarHBondContact O-N 3.35Å |
| 1091 | I | 86.6 | Confident | 82.4 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 179.6 | -65.8 | 166 | 0 | 0 | 0 | 111.4 | L1087 I1088 S1089 I1094 S1095 C1150 F1154 I1157 | L1087-I1091 HydrophobicContact CD1-CD1 4.29Å; L1087-I1091 HydrophobicContact CG-CD1 4.13Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.13Å; L1087-I1091 PolarHBondContact O-N 3.32Å; I1088-I1091 PolarHBondContact O-N 3.36Å; S1089-I1091 VanDerWaalsContact C-N 3.34Å; S1089-I1091 PolarHBondContact O-N 2.96Å; I1091-I1094 PolarHBondContact O-N 3.46Å; I1091-S1095 PolarHBondContact O-N 2.94Å; I1091-S1095 VanDerWaalsContact O-N 3.11Å; I1091-C1150 HydrophobicContact CD1-CB 3.56Å; I1091-C1150 WeakPolarHBondContact CD1-O 3.25Å; I1091-F1154 HydrophobicContact CD1-CB 4.15Å; I1091-F1154 HydrophobicContact CG1-CB 4.24Å; I1091-I1157 HydrophobicContact CG2-CD1 3.65Å; I1091-I1157 WeakPolarHBondContact O-CD1 3.26Å |
| 1092 | E | 86.3 | Confident | 82.8 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 177.7 | -161.6 | -178.9 | 179.9 | 0 | 0 | 112 | P1011 I1088 S1089 C1090 S1095 R1096 | P1011-E1092 HydrophobicContact CG-CB 4.43Å; P1011-E1092 HydrophobicContact CG-CG 3.75Å; I1088-E1092 PolarHBondContact O-N 2.93Å; S1089-E1092 WeakPolarHBondContact O-CB 3.29Å; S1089-E1092 PolarHBondContact O-N 3.24Å; S1089-E1092 VanDerWaalsContact O-N 3.09Å; C1090-E1092 VanDerWaalsContact C-N 3.31Å; C1090-E1092 PolarHBondContact O-N 3.5Å; E1092-S1095 WeakPolarHBondContact O-CB 3.34Å; E1092-S1095 PolarHBondContact O-N 2.89Å; E1092-S1095 VanDerWaalsContact O-N 3.16Å; E1092-S1095 PolarHBondContact O-OG 3.49Å; E1092-R1096 WeakPolarHBondContact O-CG 3.17Å; E1092-R1096 IonicContact OE1-NH2 3.83Å |
| 1093 | F | 87.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.6 | -81.9 | -81 | 0 | 0 | 0 | 111.8 | I1004 I1009 P1011 V1014 L1066 V1069 C1070 H1073 S1089 C1090 S1095 R1096 F1097 | I1004-F1093 HydrophobicContact CG2-CZ 4.36Å; I1009-F1093 WeakPolarHBondContact O-CZ 3.49Å; P1011-F1093 HydrophobicContact CB-CD1 3.75Å; P1011-F1093 HydrophobicContact CB-CE1 3.76Å; P1011-F1093 HydrophobicContact CB-CG 4.26Å; P1011-F1093 HydrophobicContact CB-CZ 4.26Å; V1014-F1093 HydrophobicContact CG2-CE1 4.42Å; L1066-F1093 HydrophobicContact CD2-CD1 3.61Å; L1066-F1093 HydrophobicContact CD2-CE1 4.12Å; V1069-F1093 HydrophobicContact CG1-CD1 3.95Å; V1069-F1093 HydrophobicContact CG1-CD2 3.88Å; V1069-F1093 HydrophobicContact CG1-CE1 3.8Å; V1069-F1093 HydrophobicContact CG1-CE2 3.74Å; V1069-F1093 HydrophobicContact CG1-CG 4.02Å; V1069-F1093 HydrophobicContact CG1-CZ 3.7Å; C1070-F1093 VanDerWaalsContact SG-C 3.59Å; C1070-F1093 WeakPolarHBondContact SG-CB 3.31Å; H1073-F1093 AromaticContact CD2-CD2 3.98Å; H1073-F1093 AromaticContact CD2-CE2 3.94Å; H1073-F1093 AromaticContact NE2-CE2 3.78Å; S1089-F1093 WeakPolarHBondContact O-CD2 3.24Å; S1089-F1093 PolarHBondContact O-N 3.44Å; C1090-F1093 PolarHBondContact O-N 3.09Å; F1093-S1095 PolarHBondContact O-N 3Å; F1093-R1096 PolarHBondContact O-N 2.98Å; F1093-F1097 WeakPolarHBondContact O-CD2 3.14Å |
| 1094 | I | 87.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | 175.5 | -61.8 | 168.8 | 0 | 0 | 0 | 111.1 | C1070 C1090 I1091 R1096 F1097 A1105 L1108 I1112 I1157 | C1070-I1094 HydrophobicContact CB-CG1 3.97Å; C1070-I1094 WeakPolarHBondContact SG-CG1 3.33Å; C1070-I1094 PolarHBondContact SG-N 3.1Å; C1070-I1094 VanDerWaalsContact SG-N 3.38Å; C1090-I1094 VanDerWaalsContact O-CG1 3.25Å; C1090-I1094 WeakPolarHBondContact O-CG1 3.3Å; C1090-I1094 PolarHBondContact O-N 3.35Å; I1091-I1094 PolarHBondContact O-N 3.46Å; I1094-R1096 PolarHBondContact O-N 2.64Å; I1094-F1097 VanDerWaalsContact O-CD2 3.29Å; I1094-F1097 WeakPolarHBondContact O-CD2 3.48Å; I1094-A1105 HydrophobicContact CG2-CB 4.43Å; I1094-L1108 HydrophobicContact CG1-CD2 4.24Å; I1094-I1112 HydrophobicContact CD1-CD1 3.43Å; I1094-I1112 VanDerWaalsContact CD1-CD1 3.43Å; I1094-I1157 HydrophobicContact CG2-CG2 3.71Å |
| 1095 | S | 86 | Confident | 83.9 | Confident | 53 Ų | 53 | 34.9 Ų | 34.9 | 37% | 0.371 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -14.8 | 178.8 | 83.4 | 0 | 0 | 0 | 0 | 114.5 | I1091 E1092 F1093 | I1091-S1095 PolarHBondContact O-N 2.94Å; I1091-S1095 VanDerWaalsContact O-N 3.11Å; E1092-S1095 WeakPolarHBondContact O-CB 3.34Å; E1092-S1095 PolarHBondContact O-N 2.89Å; E1092-S1095 VanDerWaalsContact O-N 3.16Å; E1092-S1095 PolarHBondContact O-OG 3.49Å; F1093-S1095 PolarHBondContact O-N 3Å |
| 1096 | R | 85.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 30.7 Ų | 30.7 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 6.9 | -170.8 | -65.2 | -58.3 | 174.4 | 82 | 10.4 | 114.9 | P1011 E1012 L1015 E1092 F1093 I1094 | P1011-R1096 HydrophobicContact CB-CB 4.5Å; P1011-R1096 HydrophobicContact CB-CG 4.03Å; P1011-R1096 HydrophobicContact CG-CG 4.48Å; E1012-R1096 IonicContact OE1-CZ 2.6Å; E1012-R1096 IonicContact OE1-NH1 3.88Å; E1012-R1096 PolarHBondContact OE1-NH1 3.39Å; E1012-R1096 IonicContact OE1-NH2 2.77Å; E1012-R1096 PolarHBondContact OE1-NH2 3.18Å; L1015-R1096 HydrophobicContact CD1-CB 4.07Å; L1015-R1096 HydrophobicContact CD1-CG 4.21Å; E1092-R1096 WeakPolarHBondContact O-CG 3.17Å; E1092-R1096 IonicContact OE1-NH2 3.83Å; F1093-R1096 PolarHBondContact O-N 2.98Å; I1094-R1096 PolarHBondContact O-N 2.64Å |
| 1097 | F | 84.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 28.4 Ų | 28.4 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | trans | -57.5 | 142.7 | 172.7 | -83.2 | -110.4 | 0 | 0 | 0 | 111.2 | D1063 L1066 F1093 I1094 G1101 I1104 A1105 L1108 | D1063-F1097 HydrophobicContact CB-CD1 4.28Å; D1063-F1097 HydrophobicContact CB-CE1 4.46Å; L1066-F1097 HydrophobicContact CB-CD2 4.43Å; L1066-F1097 HydrophobicContact CB-CE2 3.98Å; L1066-F1097 HydrophobicContact CB-CZ 4.14Å; F1093-F1097 WeakPolarHBondContact O-CD2 3.14Å; I1094-F1097 VanDerWaalsContact O-CD2 3.29Å; I1094-F1097 WeakPolarHBondContact O-CD2 3.48Å; F1097-G1101 WeakPolarHBondContact CD1-O 3.4Å; F1097-I1104 HydrophobicContact CD1-CB 4.34Å; F1097-I1104 HydrophobicContact CE1-CB 3.93Å; F1097-I1104 HydrophobicContact CE1-CG2 3.73Å; F1097-I1104 HydrophobicContact CZ-CG2 4.48Å; F1097-A1105 HydrophobicContact CB-CB 4.32Å; F1097-A1105 HydrophobicContact CD1-CB 4.18Å; F1097-A1105 HydrophobicContact CD2-CB 4.46Å; F1097-A1105 HydrophobicContact CG-CB 4.06Å; F1097-L1108 HydrophobicContact CZ-CD2 4.12Å | ||
| 1098 | S | 82.5 | Confident | 84.3 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | trans | -66.3 | 170 | 175.2 | 88.2 | 0 | 0 | 0 | 0 | 111.4 | D1063 A1100 G1101 T1102 | D1063-S1098 PolarHBondContact OD1-N 3.38Å; D1063-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1063-S1098 PolarHBondContact OD2-OG 3.18Å; S1098-A1100 PolarHBondContact O-N 2.96Å; S1098-A1100 PolarHBondContact OG-N 3.29Å; S1098-A1100 VanDerWaalsContact OG-N 3.12Å; S1098-G1101 PolarHBondContact O-N 3.14Å; S1098-G1101 VanDerWaalsContact O-N 3.12Å; S1098-G1101 PolarHBondContact OG-N 2.91Å; S1098-T1102 PolarHBondContact O-N 3.38Å | ||
| 1099 | S | 77.1 | Confident | 84.4 | Confident | 110 Ų | 110 | 26.5 Ų | 26.5 | 77% | 0.769 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -59 | -32 | 172.2 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | T1102 | S1099-T1102 WeakPolarHBondContact O-CG2 3.47Å; S1099-T1102 PolarHBondContact O-OG1 3.43Å |
| 1100 | A | 73.6 | Confident | 84.4 | Confident | 65 Ų | 65 | 25.2 Ų | 25.2 | 54% | 0.537 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S1098 T1102 | S1098-A1100 PolarHBondContact O-N 2.96Å; S1098-A1100 PolarHBondContact OG-N 3.29Å; S1098-A1100 VanDerWaalsContact OG-N 3.12Å; A1100-T1102 VanDerWaalsContact C-N 3.25Å; A1100-T1102 PolarHBondContact O-N 3.05Å |
| 1101 | G | 81 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1063 F1097 S1098 M1103 I1104 A1105 | D1063-G1101 VanDerWaalsContact OD2-CA 3.31Å; D1063-G1101 WeakPolarHBondContact OD2-CA 3.46Å; D1063-G1101 PolarHBondContact OD2-N 2.89Å; D1063-G1101 VanDerWaalsContact OD2-N 3.16Å; F1097-G1101 WeakPolarHBondContact CD1-O 3.4Å; S1098-G1101 PolarHBondContact O-N 3.14Å; S1098-G1101 VanDerWaalsContact O-N 3.12Å; S1098-G1101 PolarHBondContact OG-N 2.91Å; G1101-M1103 VanDerWaalsContact C-N 3.28Å; G1101-M1103 PolarHBondContact O-N 3.27Å; G1101-I1104 WeakPolarHBondContact O-CB 3.42Å; G1101-I1104 PolarHBondContact O-N 3.36Å; G1101-I1104 VanDerWaalsContact O-N 3.07Å; G1101-A1105 PolarHBondContact O-N 2.83Å |
| 1102 | T | 83 | Confident | 84.2 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 17% | 0.172 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -36.7 | -177.6 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | S1098 S1099 A1100 A1105 Q1106 R1164 | S1098-T1102 PolarHBondContact O-N 3.38Å; S1099-T1102 WeakPolarHBondContact O-CG2 3.47Å; S1099-T1102 PolarHBondContact O-OG1 3.43Å; A1100-T1102 VanDerWaalsContact C-N 3.25Å; A1100-T1102 PolarHBondContact O-N 3.05Å; T1102-A1105 PolarHBondContact O-N 3.19Å; T1102-Q1106 PolarHBondContact O-N 3.36Å; T1102-R1164 HydrophobicContact CG2-CB 4.3Å |
| 1103 | M | 81.7 | Confident | 84.1 | Confident | 16 Ų | 16 | 23 Ų | 23 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.2 | -35.7 | 176.6 | -159.3 | 168.8 | 102.2 | 0 | 0 | 112.3 | G1101 A1105 Q1106 G1107 A1165 V1168 P1169 V1238 | G1101-M1103 VanDerWaalsContact C-N 3.28Å; G1101-M1103 PolarHBondContact O-N 3.27Å; M1103-A1105 VanDerWaalsContact C-N 3.33Å; M1103-Q1106 PolarHBondContact O-N 2.78Å; M1103-G1107 PolarHBondContact O-N 3.38Å; M1103-A1165 HydrophobicContact CB-CB 4.32Å; M1103-A1165 HydrophobicContact CG-CB 4.15Å; M1103-V1168 HydrophobicContact CE-CB 4.06Å; M1103-V1168 HydrophobicContact CE-CG1 4.01Å; M1103-V1168 HydrophobicContact CE-CG2 3.95Å; M1103-V1168 HydrophobicContact SD-CB 4.38Å; M1103-V1168 HydrophobicContact SD-CG2 4.09Å; M1103-P1169 HydrophobicContact CE-CG 4.35Å; M1103-V1238 HydrophobicContact CE-CB 4.05Å; M1103-V1238 HydrophobicContact CE-CG1 3.37Å; M1103-V1238 HydrophobicContact CE-CG2 3.89Å |
| 1104 | I | 84 | Confident | 83.8 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 172.9 | -52.5 | 174 | 0 | 0 | 0 | 109.6 | D1063 F1097 G1101 Q1106 G1107 L1108 V1234 A1237 V1238 | D1063-I1104 HydrophobicContact CB-CD1 4.13Å; F1097-I1104 HydrophobicContact CD1-CB 4.34Å; F1097-I1104 HydrophobicContact CE1-CB 3.93Å; F1097-I1104 HydrophobicContact CE1-CG2 3.73Å; F1097-I1104 HydrophobicContact CZ-CG2 4.48Å; G1101-I1104 WeakPolarHBondContact O-CB 3.42Å; G1101-I1104 PolarHBondContact O-N 3.36Å; G1101-I1104 VanDerWaalsContact O-N 3.07Å; I1104-Q1106 VanDerWaalsContact C-N 3.33Å; I1104-Q1106 PolarHBondContact O-N 2.82Å; I1104-G1107 PolarHBondContact O-N 3.37Å; I1104-L1108 WeakPolarHBondContact O-CB 3.37Å; I1104-L1108 PolarHBondContact O-N 3.04Å; I1104-V1234 HydrophobicContact CD1-CG1 3.48Å; I1104-V1234 VanDerWaalsContact CD1-CG1 3.48Å; I1104-V1234 HydrophobicContact CD1-CG2 4.38Å; I1104-V1234 HydrophobicContact CG1-CG1 3.8Å; I1104-V1234 HydrophobicContact CG2-CB 4.49Å; I1104-V1234 HydrophobicContact CG2-CG1 4.16Å; I1104-V1234 HydrophobicContact CG2-CG2 4.13Å; I1104-A1237 HydrophobicContact CG2-CB 4.2Å; I1104-V1238 HydrophobicContact CG1-CG2 4.09Å |
| 1105 | A | 87.2 | Confident | 83.3 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1094 F1097 G1101 T1102 M1103 G1109 A1161 | I1094-A1105 HydrophobicContact CG2-CB 4.43Å; F1097-A1105 HydrophobicContact CB-CB 4.32Å; F1097-A1105 HydrophobicContact CD1-CB 4.18Å; F1097-A1105 HydrophobicContact CD2-CB 4.46Å; F1097-A1105 HydrophobicContact CG-CB 4.06Å; G1101-A1105 PolarHBondContact O-N 2.83Å; T1102-A1105 PolarHBondContact O-N 3.19Å; M1103-A1105 VanDerWaalsContact C-N 3.33Å; A1105-G1109 PolarHBondContact O-N 3.04Å; A1105-A1161 HydrophobicContact CB-CB 4.07Å |
| 1106 | Q | 85.5 | Confident | 83 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 172.5 | 173.6 | -85.6 | -50.6 | 0 | 0 | 111.2 | T1102 M1103 I1104 G1109 T1110 Y1158 A1161 C1162 A1165 | T1102-Q1106 PolarHBondContact O-N 3.36Å; M1103-Q1106 PolarHBondContact O-N 2.78Å; I1104-Q1106 VanDerWaalsContact C-N 3.33Å; I1104-Q1106 PolarHBondContact O-N 2.82Å; Q1106-G1109 PolarHBondContact O-N 3.31Å; Q1106-T1110 PolarHBondContact NE2-OG1 3.04Å; Q1106-T1110 PolarHBondContact O-N 2.74Å; Q1106-T1110 PolarHBondContact O-OG1 2.65Å; Q1106-Y1158 WeakPolarHBondContact O-CE2 3.39Å; Q1106-A1161 HydrophobicContact CB-CB 4.2Å; Q1106-C1162 HydrophobicContact CG-CB 4.43Å; Q1106-C1162 VanDerWaalsContact CG-SG 3.51Å; Q1106-A1165 HydrophobicContact CB-CB 4.05Å; Q1106-A1165 HydrophobicContact CG-CB 4.33Å |
| 1107 | G | 85.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -53.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1103 I1104 G1109 T1110 M1111 A1237 Q1240 | M1103-G1107 PolarHBondContact O-N 3.38Å; I1104-G1107 PolarHBondContact O-N 3.37Å; G1107-G1109 VanDerWaalsContact C-N 3.35Å; G1107-G1109 PolarHBondContact O-N 2.63Å; G1107-T1110 WeakPolarHBondContact O-CA 3.47Å; G1107-T1110 VanDerWaalsContact O-CB 3.31Å; G1107-T1110 WeakPolarHBondContact O-CB 3.38Å; G1107-T1110 PolarHBondContact O-N 2.92Å; G1107-M1111 PolarHBondContact O-N 3.07Å; G1107-A1237 WeakPolarHBondContact CA-O 3.36Å; G1107-Q1240 WeakPolarHBondContact O-CG 3.38Å |
| 1108 | L | 87.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 179.4 | -173.4 | 66.9 | 0 | 0 | 0 | 111.7 | C1070 W1071 I1094 F1097 I1104 T1110 M1111 I1112 L1233 A1237 | C1070-L1108 HydrophobicContact CB-CD2 3.72Å; W1071-L1108 HydrophobicContact CE3-CD1 3.89Å; I1094-L1108 HydrophobicContact CG1-CD2 4.24Å; F1097-L1108 HydrophobicContact CZ-CD2 4.12Å; I1104-L1108 WeakPolarHBondContact O-CB 3.37Å; I1104-L1108 PolarHBondContact O-N 3.04Å; L1108-T1110 VanDerWaalsContact C-N 3.26Å; L1108-T1110 PolarHBondContact O-N 3.41Å; L1108-M1111 PolarHBondContact O-N 3.4Å; L1108-I1112 HydrophobicContact CD1-CD1 4.41Å; L1108-I1112 HydrophobicContact CD2-CD1 4.47Å; L1108-I1112 HydrophobicContact CG-CD1 3.9Å; L1108-I1112 HydrophobicContact CG-CG1 4.47Å; L1108-I1112 WeakPolarHBondContact O-CB 3.47Å; L1108-I1112 VanDerWaalsContact O-CG1 3.29Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; L1108-I1112 PolarHBondContact O-N 3.37Å; L1108-L1233 HydrophobicContact CD1-CD2 3.91Å; L1108-L1233 HydrophobicContact CD1-CG 4.44Å; L1108-A1237 HydrophobicContact CB-CB 4.37Å |
| 1109 | G | 86.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1105 Q1106 G1107 I1112 W1113 F1154 | A1105-G1109 PolarHBondContact O-N 3.04Å; Q1106-G1109 PolarHBondContact O-N 3.31Å; G1107-G1109 VanDerWaalsContact C-N 3.35Å; G1107-G1109 PolarHBondContact O-N 2.63Å; G1109-I1112 PolarHBondContact O-N 3.07Å; G1109-W1113 VanDerWaalsContact O-CB 3.27Å; G1109-W1113 WeakPolarHBondContact O-CB 3.38Å; G1109-W1113 PolarHBondContact O-N 2.77Å; G1109-F1154 WeakPolarHBondContact O-CZ 3.43Å |
| 1110 | T | 83.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 176 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | Q1106 G1107 L1108 N1114 Y1158 Q1240 | Q1106-T1110 PolarHBondContact NE2-OG1 3.04Å; Q1106-T1110 PolarHBondContact O-N 2.74Å; Q1106-T1110 PolarHBondContact O-OG1 2.65Å; G1107-T1110 WeakPolarHBondContact O-CA 3.47Å; G1107-T1110 VanDerWaalsContact O-CB 3.31Å; G1107-T1110 WeakPolarHBondContact O-CB 3.38Å; G1107-T1110 PolarHBondContact O-N 2.92Å; L1108-T1110 VanDerWaalsContact C-N 3.26Å; L1108-T1110 PolarHBondContact O-N 3.41Å; T1110-N1114 WeakPolarHBondContact O-CB 3.33Å; T1110-N1114 VanDerWaalsContact O-CG 3.29Å; T1110-N1114 PolarHBondContact O-N 2.81Å; T1110-N1114 PolarHBondContact O-ND2 3.36Å; T1110-Y1158 WeakPolarHBondContact CA-OH 3.41Å; T1110-Y1158 PolarHBondContact OG1-OH 2.82Å; T1110-Q1240 HydrophobicContact CG2-CB 4.4Å |
| 1111 | M | 84.3 | Confident | 82.7 | Confident | 23 Ų | 23 | 21.8 Ų | 21.8 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 176 | -64.2 | 174.5 | 68.6 | 0 | 0 | 112 | W1071 G1107 L1108 W1113 N1114 K1115 L1233 D1236 A1237 Q1240 | W1071-M1111 HydrophobicContact CH2-CB 4.14Å; W1071-M1111 HydrophobicContact CH2-CE 3.62Å; W1071-M1111 HydrophobicContact CZ2-CE 4.11Å; W1071-M1111 HydrophobicContact CZ3-CB 3.77Å; W1071-M1111 HydrophobicContact CZ3-CE 3.99Å; G1107-M1111 PolarHBondContact O-N 3.07Å; L1108-M1111 PolarHBondContact O-N 3.4Å; M1111-W1113 VanDerWaalsContact C-N 3.3Å; M1111-W1113 PolarHBondContact O-N 3.35Å; M1111-N1114 PolarHBondContact O-N 3.33Å; M1111-K1115 WeakPolarHBondContact O-CB 3.5Å; M1111-K1115 PolarHBondContact O-N 3.01Å; M1111-L1233 HydrophobicContact CE-CD1 3.9Å; M1111-D1236 HydrophobicContact CE-CB 4.32Å; M1111-D1236 HydrophobicContact SD-CB 4.44Å; M1111-A1237 HydrophobicContact SD-CB 4.25Å; M1111-Q1240 HydrophobicContact CG-CG 3.66Å; M1111-Q1240 HydrophobicContact SD-CG 4.25Å |
| 1112 | I | 87.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 179.2 | -71.2 | 172.5 | 0 | 0 | 0 | 110.6 | W1071 F1074 I1094 L1108 G1109 L1117 F1154 | W1071-I1112 HydrophobicContact CE3-CG1 4.34Å; W1071-I1112 HydrophobicContact CZ3-CG1 4.31Å; F1074-I1112 HydrophobicContact CD1-CG1 4.06Å; F1074-I1112 HydrophobicContact CD2-CG2 3.86Å; F1074-I1112 HydrophobicContact CE1-CB 4.41Å; F1074-I1112 HydrophobicContact CE1-CG1 4.29Å; F1074-I1112 HydrophobicContact CE1-CG2 4.35Å; F1074-I1112 HydrophobicContact CE2-CG2 3.61Å; F1074-I1112 HydrophobicContact CG-CG1 4.16Å; F1074-I1112 HydrophobicContact CG-CG2 4.34Å; F1074-I1112 HydrophobicContact CZ-CB 4.35Å; F1074-I1112 HydrophobicContact CZ-CG2 3.87Å; F1074-I1112 WeakPolarHBondContact CZ-O 3.29Å; I1094-I1112 HydrophobicContact CD1-CD1 3.43Å; I1094-I1112 VanDerWaalsContact CD1-CD1 3.43Å; L1108-I1112 HydrophobicContact CD1-CD1 4.41Å; L1108-I1112 HydrophobicContact CD2-CD1 4.47Å; L1108-I1112 HydrophobicContact CG-CD1 3.9Å; L1108-I1112 HydrophobicContact CG-CG1 4.47Å; L1108-I1112 WeakPolarHBondContact O-CB 3.47Å; L1108-I1112 VanDerWaalsContact O-CG1 3.29Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; L1108-I1112 PolarHBondContact O-N 3.37Å; G1109-I1112 PolarHBondContact O-N 3.07Å; I1112-L1117 HydrophobicContact CG2-CD1 3.46Å; I1112-L1117 VanDerWaalsContact CG2-CD1 3.46Å; I1112-L1117 HydrophobicContact CG2-CG 3.91Å; I1112-L1117 PolarHBondContact O-N 2.93Å; I1112-F1154 HydrophobicContact CB-CE2 4.34Å; I1112-F1154 HydrophobicContact CG2-CE2 3.93Å; I1112-F1154 HydrophobicContact CG2-CZ 4.32Å |
| 1113 | W | 84.2 | Confident | 82.1 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -53.6 | 175.8 | -179.3 | -114.2 | 0 | 0 | 0 | 112.1 | G1109 M1111 L1117 I1118 I1121 L1151 F1154 F1155 W1251 I1255 | G1109-W1113 VanDerWaalsContact O-CB 3.27Å; G1109-W1113 WeakPolarHBondContact O-CB 3.38Å; G1109-W1113 PolarHBondContact O-N 2.77Å; M1111-W1113 VanDerWaalsContact C-N 3.3Å; M1111-W1113 PolarHBondContact O-N 3.35Å; W1113-L1117 HydrophobicContact CE3-CB 3.77Å; W1113-L1117 HydrophobicContact CZ3-CB 4.17Å; W1113-L1117 PolarHBondContact O-N 3.35Å; W1113-I1118 HydrophobicContact CD2-CB 4.31Å; W1113-I1118 HydrophobicContact CZ2-CB 4.34Å; W1113-I1118 HydrophobicContact CZ2-CG1 4.08Å; W1113-I1118 WeakPolarHBondContact O-CB 3.49Å; W1113-I1118 WeakPolarHBondContact O-CG2 3.4Å; W1113-I1118 PolarHBondContact O-N 3.42Å; W1113-I1118 VanDerWaalsContact O-N 3.08Å; W1113-I1121 HydrophobicContact CH2-CD1 3.06Å; W1113-I1121 HydrophobicContact CH2-CG1 3.66Å; W1113-I1121 HydrophobicContact CZ2-CD1 3.3Å; W1113-I1121 HydrophobicContact CZ2-CG1 4.37Å; W1113-I1121 HydrophobicContact CZ3-CD1 4.08Å; W1113-I1121 HydrophobicContact CZ3-CG1 4.34Å; W1113-L1151 HydrophobicContact CZ3-CD2 4.4Å; W1113-F1154 HydrophobicContact CB-CZ 4.41Å; W1113-F1154 HydrophobicContact CE3-CE1 4.19Å; W1113-F1155 HydrophobicContact CD2-CZ 4.13Å; W1113-F1155 AromaticContact CE3-CE2 3.87Å; W1113-F1155 HydrophobicContact CE3-CE2 3.87Å; W1113-F1155 AromaticContact CE3-CZ 3.77Å; W1113-F1155 HydrophobicContact CE3-CZ 3.77Å; W1113-F1155 AromaticContact CH2-CE2 3.69Å; W1113-F1155 HydrophobicContact CH2-CE2 3.69Å; W1113-F1155 AromaticContact CH2-CZ 3.43Å; W1113-F1155 HydrophobicContact CH2-CZ 3.43Å; W1113-F1155 VanDerWaalsContact CH2-CZ 3.43Å; W1113-F1155 AromaticContact CZ2-CZ 3.87Å; W1113-F1155 HydrophobicContact CZ2-CZ 3.87Å; W1113-F1155 AromaticContact CZ3-CE2 3.36Å; W1113-F1155 HydrophobicContact CZ3-CE2 3.36Å; W1113-F1155 AromaticContact CZ3-CZ 3.46Å; W1113-F1155 HydrophobicContact CZ3-CZ 3.46Å; W1113-F1155 VanDerWaalsContact CZ3-CZ 3.46Å; W1113-W1251 HydrophobicContact CH2-CE3 4.37Å; W1113-W1251 HydrophobicContact CZ2-CD2 4.07Å; W1113-W1251 HydrophobicContact CZ2-CE3 4.23Å; W1113-W1251 HydrophobicContact CZ2-CG 4.48Å; W1113-I1255 HydrophobicContact CH2-CD1 4.2Å; W1113-I1255 HydrophobicContact CZ3-CD1 4.46Å |
| 1114 | N | 80.5 | Confident | 81.9 | Confident | 80 Ų | 80 | 25.1 Ų | 25.1 | 43% | 0.428 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -72.3 | -31.7 | -173.9 | -70.9 | -23.6 | 0 | 0 | 0 | 113.5 | T1110 M1111 | T1110-N1114 WeakPolarHBondContact O-CB 3.33Å; T1110-N1114 VanDerWaalsContact O-CG 3.29Å; T1110-N1114 PolarHBondContact O-N 2.81Å; T1110-N1114 PolarHBondContact O-ND2 3.36Å; M1111-N1114 PolarHBondContact O-N 3.33Å |
| 1115 | K | 77.7 | Confident | 81.6 | Confident | 113 Ų | 113 | 25.5 Ų | 25.5 | 49% | 0.491 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -73.1 | -29.3 | -178.6 | -91 | -151.8 | 177.2 | -173.2 | 0 | 114.1 | W1071 F1074 M1111 | W1071-K1115 HydrophobicContact CH2-CD 3.49Å; W1071-K1115 VanDerWaalsContact CH2-CD 3.49Å; W1071-K1115 VanDerWaalsContact CH2-CE 3.48Å; W1071-K1115 HydrophobicContact CH2-CG 4.25Å; W1071-K1115 HydrophobicContact CZ2-CD 3.94Å; W1071-K1115 HydrophobicContact CZ3-CD 4.41Å; F1074-K1115 HydrophobicContact CE1-CB 4.03Å; F1074-K1115 HydrophobicContact CZ-CB 4.46Å; M1111-K1115 WeakPolarHBondContact O-CB 3.5Å; M1111-K1115 PolarHBondContact O-N 3.01Å |
| 1116 | G | 79.5 | Confident | 80.9 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -167.5 | -35.7 | -174 | 0 | 0 | 0 | 0 | 0 | 117.3 | I1118 N1119 | G1116-I1118 PolarHBondContact O-N 3.04Å; G1116-N1119 WeakPolarHBondContact O-CB 3.25Å; G1116-N1119 PolarHBondContact O-N 3.45Å |
| 1117 | L | 81.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -61.3 | -31.3 | -177.4 | -72.6 | -174.5 | 0 | 0 | 0 | 112.6 | F1074 W1077 L1087 I1112 W1113 N1119 W1120 L1151 F1154 | F1074-L1117 HydrophobicContact CE2-CD2 4.38Å; F1074-L1117 HydrophobicContact CE2-CG 4.12Å; W1077-L1117 HydrophobicContact CH2-CD2 3.73Å; W1077-L1117 HydrophobicContact CZ3-CD2 3.68Å; L1087-L1117 HydrophobicContact CD1-CD2 4.17Å; I1112-L1117 HydrophobicContact CG2-CD1 3.46Å; I1112-L1117 VanDerWaalsContact CG2-CD1 3.46Å; I1112-L1117 HydrophobicContact CG2-CG 3.91Å; I1112-L1117 PolarHBondContact O-N 2.93Å; W1113-L1117 HydrophobicContact CE3-CB 3.77Å; W1113-L1117 HydrophobicContact CZ3-CB 4.17Å; W1113-L1117 PolarHBondContact O-N 3.35Å; L1117-N1119 PolarHBondContact O-N 2.97Å; L1117-W1120 WeakPolarHBondContact O-CB 3.43Å; L1117-W1120 PolarHBondContact O-N 3.39Å; L1117-W1120 VanDerWaalsContact O-N 3.13Å; L1117-L1151 HydrophobicContact CB-CD2 4.27Å; L1117-L1151 HydrophobicContact CD1-CD2 4.02Å; L1117-L1151 HydrophobicContact CD2-CD2 4.16Å; L1117-L1151 HydrophobicContact CG-CD2 4.4Å; L1117-F1154 HydrophobicContact CD1-CD1 4Å; L1117-F1154 HydrophobicContact CD1-CD2 4.1Å; L1117-F1154 HydrophobicContact CD1-CE1 4.01Å; L1117-F1154 HydrophobicContact CD1-CE2 4.1Å; L1117-F1154 HydrophobicContact CD1-CG 4.04Å; L1117-F1154 HydrophobicContact CD1-CZ 4.07Å |
| 1118 | I | 79.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -58.1 | -32 | 176.8 | -165.4 | 169.9 | 0 | 0 | 0 | 113 | W1113 G1116 W1120 I1121 P1301 | W1113-I1118 HydrophobicContact CD2-CB 4.31Å; W1113-I1118 HydrophobicContact CZ2-CB 4.34Å; W1113-I1118 HydrophobicContact CZ2-CG1 4.08Å; W1113-I1118 WeakPolarHBondContact O-CB 3.49Å; W1113-I1118 WeakPolarHBondContact O-CG2 3.4Å; W1113-I1118 PolarHBondContact O-N 3.42Å; W1113-I1118 VanDerWaalsContact O-N 3.08Å; G1116-I1118 PolarHBondContact O-N 3.04Å; I1118-W1120 PolarHBondContact O-N 2.85Å; I1118-I1121 HydrophobicContact CG1-CD1 3.89Å; I1118-I1121 WeakPolarHBondContact O-CB 3.09Å; I1118-I1121 WeakPolarHBondContact O-CD1 3.29Å; I1118-I1121 WeakPolarHBondContact O-CG1 3.35Å; I1118-I1121 PolarHBondContact O-N 3.07Å; I1118-P1301 HydrophobicContact CG1-CB 4.49Å |
| 1119 | N | 80.4 | Confident | 78.3 | Confident | 105 Ų | 105 | 31.7 Ų | 31.7 | 56% | 0.561 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -69 | -23.7 | -178 | -66.2 | -28.2 | 0 | 0 | 0 | 112.5 | G1116 L1117 I1121 P1123 | G1116-N1119 WeakPolarHBondContact O-CB 3.25Å; G1116-N1119 PolarHBondContact O-N 3.45Å; L1117-N1119 PolarHBondContact O-N 2.97Å; N1119-I1121 VanDerWaalsContact C-N 3.3Å; N1119-I1121 PolarHBondContact O-N 3.17Å; N1119-P1123 WeakPolarHBondContact O-CD 3.46Å |
| 1120 | W | 78.8 | Confident | 77.1 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -77.2 | -15 | 179 | -71.6 | 87 | 0 | 0 | 0 | 113.5 | W1077 L1081 L1117 I1118 P1123 I1124 F1141 I1144 V1147 | W1077-W1120 AromaticContact CH2-CD1 3.85Å; W1077-W1120 AromaticContact CH2-CE2 3.89Å; W1077-W1120 HydrophobicContact CH2-CZ2 4.35Å; W1077-W1120 AromaticContact CH2-NE1 3.32Å; W1077-W1120 VanDerWaalsContact CH2-NE1 3.32Å; W1077-W1120 AromaticContact CZ2-CE2 3.91Å; W1077-W1120 AromaticContact CZ2-CZ2 3.95Å; W1077-W1120 HydrophobicContact CZ2-CZ2 3.95Å; W1077-W1120 AromaticContact CZ2-NE1 3.82Å; L1081-W1120 HydrophobicContact CD1-CZ2 4.03Å; L1081-W1120 HydrophobicContact CD2-CZ2 3.92Å; L1081-W1120 HydrophobicContact CG-CZ2 4.45Å; L1117-W1120 WeakPolarHBondContact O-CB 3.43Å; L1117-W1120 PolarHBondContact O-N 3.39Å; L1117-W1120 VanDerWaalsContact O-N 3.13Å; I1118-W1120 PolarHBondContact O-N 2.85Å; W1120-P1123 VanDerWaalsContact O-CD 3.26Å; W1120-P1123 WeakPolarHBondContact O-CD 3.38Å; W1120-P1123 VanDerWaalsContact O-CG 3.3Å; W1120-P1123 WeakPolarHBondContact O-CG 3.48Å; W1120-I1124 HydrophobicContact CB-CD1 4.41Å; W1120-I1124 WeakPolarHBondContact O-CB 3.29Å; W1120-I1124 WeakPolarHBondContact O-CD1 3.24Å; W1120-I1124 WeakPolarHBondContact O-CG1 3.22Å; W1120-I1124 PolarHBondContact O-N 3.39Å; W1120-F1141 HydrophobicContact CH2-CB 4.23Å; W1120-F1141 AromaticContact CH2-CD1 3.38Å; W1120-F1141 HydrophobicContact CH2-CD1 3.38Å; W1120-F1141 HydrophobicContact CH2-CE1 4.03Å; W1120-F1141 HydrophobicContact CH2-CG 4.06Å; W1120-F1141 HydrophobicContact CZ2-CD1 4.14Å; W1120-F1141 HydrophobicContact CZ2-CE1 4.36Å; W1120-F1141 HydrophobicContact CZ3-CB 3.96Å; W1120-F1141 AromaticContact CZ3-CD1 3.74Å; W1120-F1141 HydrophobicContact CZ3-CD1 3.74Å; W1120-F1141 HydrophobicContact CZ3-CE1 4.48Å; W1120-F1141 AromaticContact CZ3-CG 3.96Å; W1120-F1141 HydrophobicContact CZ3-CG 3.96Å; W1120-I1144 HydrophobicContact CE3-CG1 4.46Å; W1120-I1144 HydrophobicContact CZ3-CB 4.45Å; W1120-I1144 HydrophobicContact CZ3-CG1 4.42Å; W1120-V1147 HydrophobicContact CB-CG1 4.24Å; W1120-V1147 HydrophobicContact CD2-CG1 3.95Å; W1120-V1147 HydrophobicContact CE3-CB 4.27Å; W1120-V1147 HydrophobicContact CE3-CG1 3.97Å; W1120-V1147 HydrophobicContact CE3-CG2 4.24Å; W1120-V1147 HydrophobicContact CG-CG1 4.07Å; W1120-V1147 HydrophobicContact CH2-CG2 4.27Å; W1120-V1147 HydrophobicContact CZ3-CB 4.5Å; W1120-V1147 HydrophobicContact CZ3-CG2 4.09Å |
| 1121 | I | 77.4 | Confident | 76.3 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 176.7 | -60.5 | 168.3 | 0 | 0 | 0 | 111.2 | W1113 I1118 N1119 I1124 L1125 W1251 | W1113-I1121 HydrophobicContact CH2-CD1 3.06Å; W1113-I1121 HydrophobicContact CH2-CG1 3.66Å; W1113-I1121 HydrophobicContact CZ2-CD1 3.3Å; W1113-I1121 HydrophobicContact CZ2-CG1 4.37Å; W1113-I1121 HydrophobicContact CZ3-CD1 4.08Å; W1113-I1121 HydrophobicContact CZ3-CG1 4.34Å; I1118-I1121 HydrophobicContact CG1-CD1 3.89Å; I1118-I1121 WeakPolarHBondContact O-CB 3.09Å; I1118-I1121 WeakPolarHBondContact O-CD1 3.29Å; I1118-I1121 WeakPolarHBondContact O-CG1 3.35Å; I1118-I1121 PolarHBondContact O-N 3.07Å; N1119-I1121 VanDerWaalsContact C-N 3.3Å; N1119-I1121 PolarHBondContact O-N 3.17Å; I1121-I1124 PolarHBondContact O-N 3.35Å; I1121-L1125 HydrophobicContact CG2-CD1 3.52Å; I1121-L1125 HydrophobicContact CG2-CG 3.86Å; I1121-L1125 WeakPolarHBondContact O-CB 3.49Å; I1121-L1125 WeakPolarHBondContact O-CG 3.38Å; I1121-L1125 PolarHBondContact O-N 2.96Å; I1121-W1251 HydrophobicContact CD1-CE3 3.94Å; I1121-W1251 HydrophobicContact CD1-CH2 3.65Å; I1121-W1251 HydrophobicContact CD1-CZ2 4.45Å; I1121-W1251 HydrophobicContact CD1-CZ3 3.36Å; I1121-W1251 HydrophobicContact CG1-CZ3 4.26Å; I1121-W1251 HydrophobicContact CG2-CH2 4.36Å; I1121-W1251 HydrophobicContact CG2-CZ3 3.83Å |
| 1122 | K | 76.8 | Confident | 75.2 | Confident | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.6 | -54.6 | -177.9 | -72.3 | -177.2 | -177.2 | 175.9 | 0 | 111.3 | L1125 A1126 P1301 D1302 | K1122-L1125 PolarHBondContact O-N 3.01Å; K1122-A1126 WeakPolarHBondContact O-CB 3.26Å; K1122-A1126 PolarHBondContact O-N 2.82Å; K1122-P1301 HydrophobicContact CD-CG 4.2Å; K1122-P1301 HydrophobicContact CG-CG 4.01Å; K1122-D1302 IonicContact NZ-OD1 2.96Å; K1122-D1302 PolarHBondContact NZ-OD1 2.82Å; K1122-D1302 IonicContact NZ-OD2 3.85Å |
| 1123 | P | 75.6 | Confident | 73.7 | Confident | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 178 | 26.9 | -34.5 | 0 | 0 | 0 | 112.5 | N1119 W1120 L1125 A1126 I1127 Y1137 I1144 | N1119-P1123 WeakPolarHBondContact O-CD 3.46Å; W1120-P1123 VanDerWaalsContact O-CD 3.26Å; W1120-P1123 WeakPolarHBondContact O-CD 3.38Å; W1120-P1123 VanDerWaalsContact O-CG 3.3Å; W1120-P1123 WeakPolarHBondContact O-CG 3.48Å; P1123-L1125 PolarHBondContact O-N 3.33Å; P1123-A1126 PolarHBondContact O-N 3.47Å; P1123-I1127 VanDerWaalsContact O-CG1 3.24Å; P1123-I1127 WeakPolarHBondContact O-CG1 3.46Å; P1123-I1127 PolarHBondContact O-N 2.78Å; P1123-Y1137 HydrophobicContact CB-CD1 4.12Å; P1123-Y1137 HydrophobicContact CB-CE1 4.49Å; P1123-I1144 HydrophobicContact CB-CD1 3.69Å; P1123-I1144 HydrophobicContact CG-CD1 4.06Å |
| 1124 | I | 77.8 | Confident | 71.9 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.7 | -75.3 | 171.3 | 0 | 0 | 0 | 111.6 | W1120 I1121 G1128 I1144 A1148 L1151 A1258 I1262 | W1120-I1124 HydrophobicContact CB-CD1 4.41Å; W1120-I1124 WeakPolarHBondContact O-CB 3.29Å; W1120-I1124 WeakPolarHBondContact O-CD1 3.24Å; W1120-I1124 WeakPolarHBondContact O-CG1 3.22Å; W1120-I1124 PolarHBondContact O-N 3.39Å; I1121-I1124 PolarHBondContact O-N 3.35Å; I1124-G1128 PolarHBondContact O-N 3.36Å; I1124-I1144 HydrophobicContact CG1-CD1 4.42Å; I1124-I1144 HydrophobicContact CG1-CG1 4.19Å; I1124-A1148 HydrophobicContact CD1-CB 4.16Å; I1124-L1151 HydrophobicContact CD1-CD1 3.46Å; I1124-L1151 VanDerWaalsContact CD1-CD1 3.46Å; I1124-A1258 HydrophobicContact CG2-CB 3.71Å; I1124-I1262 HydrophobicContact CB-CD1 3.94Å; I1124-I1262 HydrophobicContact CG1-CD1 3.93Å; I1124-I1262 HydrophobicContact CG2-CD1 3.68Å |
| 1125 | L | 76.2 | Confident | 70.7 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 177.3 | -69.7 | 179 | 0 | 0 | 0 | 112.6 | I1121 K1122 P1123 G1128 R1129 L1254 A1258 | I1121-L1125 HydrophobicContact CG2-CD1 3.52Å; I1121-L1125 HydrophobicContact CG2-CG 3.86Å; I1121-L1125 WeakPolarHBondContact O-CB 3.49Å; I1121-L1125 WeakPolarHBondContact O-CG 3.38Å; I1121-L1125 PolarHBondContact O-N 2.96Å; K1122-L1125 PolarHBondContact O-N 3.01Å; P1123-L1125 PolarHBondContact O-N 3.33Å; L1125-G1128 CarbonylContact O-C 3.49Å; L1125-G1128 WeakPolarHBondContact O-CA 3.23Å; L1125-G1128 PolarHBondContact O-N 2.88Å; L1125-R1129 WeakPolarHBondContact O-CG 3.48Å; L1125-R1129 PolarHBondContact O-N 3.47Å; L1125-L1254 HydrophobicContact CD1-CD2 4.22Å; L1125-L1254 HydrophobicContact CD2-CD1 3.88Å; L1125-L1254 HydrophobicContact CD2-CD2 4.14Å; L1125-L1254 HydrophobicContact CD2-CG 4.13Å; L1125-A1258 HydrophobicContact CD2-CB 3.96Å |
| 1126 | A | 72.7 | Confident | 69.9 | Low | 17 Ų | 17 | 53.2 Ų | 53.2 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1122 P1123 G1128 R1129 G1130 D1131 | K1122-A1126 WeakPolarHBondContact O-CB 3.26Å; K1122-A1126 PolarHBondContact O-N 2.82Å; P1123-A1126 PolarHBondContact O-N 3.47Å; A1126-G1128 VanDerWaalsContact C-N 3.32Å; A1126-G1128 PolarHBondContact O-N 3.4Å; A1126-R1129 PolarHBondContact O-N 2.79Å; A1126-R1129 VanDerWaalsContact O-N 3.14Å; A1126-G1130 PolarHBondContact O-N 3.14Å; A1126-G1130 VanDerWaalsContact O-N 3.08Å; A1126-D1131 PolarHBondContact O-N 2.79Å |
| 1127 | I | 68.1 | Low | 68.9 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 172.6 | -64.8 | 168.2 | 0 | 0 | 0 | 110.1 | P1123 R1129 G1130 L1134 I1144 I1262 R1266 | P1123-I1127 VanDerWaalsContact O-CG1 3.24Å; P1123-I1127 WeakPolarHBondContact O-CG1 3.46Å; P1123-I1127 PolarHBondContact O-N 2.78Å; I1127-R1129 PolarHBondContact O-N 2.86Å; I1127-G1130 PolarHBondContact O-N 3.5Å; I1127-L1134 HydrophobicContact CB-CD1 4.01Å; I1127-L1134 HydrophobicContact CG1-CD1 3.91Å; I1127-L1134 HydrophobicContact CG2-CD1 3.82Å; I1127-I1144 HydrophobicContact CD1-CD1 3.45Å; I1127-I1144 VanDerWaalsContact CD1-CD1 3.45Å; I1127-I1144 HydrophobicContact CD1-CG1 4.06Å; I1127-I1144 HydrophobicContact CD1-CG2 4.08Å; I1127-I1262 HydrophobicContact CB-CD1 4.33Å; I1127-I1262 HydrophobicContact CB-CG1 4.24Å; I1127-I1262 HydrophobicContact CG2-CB 4.46Å; I1127-I1262 HydrophobicContact CG2-CD1 4.23Å; I1127-I1262 HydrophobicContact CG2-CG1 3.7Å; I1127-I1262 HydrophobicContact CG2-CG2 4.36Å; I1127-R1266 PolarHBondContact O-NH2 3.27Å |
| 1128 | G | 66.2 | Low | 67.7 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -28.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1124 L1125 A1126 R1266 P1286 | I1124-G1128 PolarHBondContact O-N 3.36Å; L1125-G1128 CarbonylContact O-C 3.49Å; L1125-G1128 WeakPolarHBondContact O-CA 3.23Å; L1125-G1128 PolarHBondContact O-N 2.88Å; A1126-G1128 VanDerWaalsContact C-N 3.32Å; A1126-G1128 PolarHBondContact O-N 3.4Å; G1128-R1266 PolarHBondContact O-NE 2.66Å; G1128-P1286 WeakPolarHBondContact O-CD 3.47Å |
| 1129 | R | 69.2 | Low | 66.8 | Low | 95 Ų | 95 | 70 Ų | 70 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -90.2 | -21.9 | 176.8 | -72.7 | -173.8 | -161.2 | 145.1 | 29.7 | 115.1 | L1125 A1126 I1127 R1266 I1287 M1299 | L1125-R1129 WeakPolarHBondContact O-CG 3.48Å; L1125-R1129 PolarHBondContact O-N 3.47Å; A1126-R1129 PolarHBondContact O-N 2.79Å; A1126-R1129 VanDerWaalsContact O-N 3.14Å; I1127-R1129 PolarHBondContact O-N 2.86Å; R1129-R1266 VanDerWaalsContact C-NH2 3.34Å; R1129-R1266 VanDerWaalsContact O-CZ 3.3Å; R1129-R1266 PolarHBondContact O-NH1 3.11Å; R1129-I1287 VanDerWaalsContact NE-CD1 3.32Å; R1129-M1299 VanDerWaalsContact CZ-CE 3.47Å; R1129-M1299 VanDerWaalsContact CZ-SD 3.59Å; R1129-M1299 PolarHBondContact NH2-SD 2.99Å |
| 1130 | G | 62.7 | Low | 66 | Low | 25 Ų | 25 | 68.5 Ų | 68.5 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 30.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1126 I1127 K1132 | A1126-G1130 PolarHBondContact O-N 3.14Å; A1126-G1130 VanDerWaalsContact O-N 3.08Å; I1127-G1130 PolarHBondContact O-N 3.5Å; G1130-K1132 PolarHBondContact O-N 3.31Å |
| 1131 | D | 65.9 | Low | 65.4 | Low | 90 Ų | 90 | 70.4 Ų | 70.4 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -60.3 | 128.4 | 170 | -140.6 | -14.1 | 0 | 0 | 0 | 108 | A1126 T1133 L1134 | A1126-D1131 PolarHBondContact O-N 2.79Å; D1131-T1133 WeakPolarHBondContact CB-OG1 3.24Å; D1131-T1133 PolarHBondContact O-N 2.96Å; D1131-L1134 WeakPolarHBondContact O-CB 3.39Å; D1131-L1134 PolarHBondContact O-N 2.8Å | ||
| 1132 | K | 60.3 | Low | 64.9 | Low | 187 Ų | 187 | 74.1 Ų | 74.1 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -3.3 | -177.1 | -67.5 | -175.8 | -180 | -179.4 | 0 | 113.2 | G1130 L1134 | G1130-K1132 PolarHBondContact O-N 3.31Å; K1132-L1134 PolarHBondContact O-N 3.5Å |
| 1133 | T | 56 | Low | 64.8 | Low | 53 Ų | 53 | 72.1 Ų | 72.1 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.7 | 165.9 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | D1131 D1135 K1136 Y1137 | D1131-T1133 WeakPolarHBondContact CB-OG1 3.24Å; D1131-T1133 PolarHBondContact O-N 2.96Å; T1133-D1135 VanDerWaalsContact C-N 3.33Å; T1133-D1135 PolarHBondContact O-N 3.26Å; T1133-K1136 WeakPolarHBondContact O-CB 3.26Å; T1133-K1136 PolarHBondContact O-N 3.22Å; T1133-K1136 VanDerWaalsContact O-N 3.1Å; T1133-Y1137 WeakPolarHBondContact O-CD2 3.33Å; T1133-Y1137 PolarHBondContact O-N 2.8Å |
| 1134 | L | 47.9 | Very low | 65 | Low | 61 Ų | 61 | 71.9 Ų | 71.9 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -41.1 | -51 | 175.8 | -153 | 92.1 | 0 | 0 | 0 | 114.3 | I1127 D1131 K1132 K1136 Y1137 R1138 | I1127-L1134 HydrophobicContact CB-CD1 4.01Å; I1127-L1134 HydrophobicContact CG1-CD1 3.91Å; I1127-L1134 HydrophobicContact CG2-CD1 3.82Å; D1131-L1134 WeakPolarHBondContact O-CB 3.39Å; D1131-L1134 PolarHBondContact O-N 2.8Å; K1132-L1134 PolarHBondContact O-N 3.5Å; L1134-K1136 VanDerWaalsContact C-N 3.32Å; L1134-K1136 PolarHBondContact O-N 3.19Å; L1134-Y1137 PolarHBondContact O-N 2.8Å; L1134-R1138 WeakPolarHBondContact O-CB 3.38Å; L1134-R1138 PolarHBondContact O-N 2.89Å |
| 1135 | D | 55.3 | Low | 65 | Low | 112 Ų | 112 | 73.9 Ų | 73.9 | 60% | 0.599 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | -175 | -64.4 | -24 | 0 | 0 | 0 | 110.3 | T1133 Y1137 R1138 D1139 | T1133-D1135 VanDerWaalsContact C-N 3.33Å; T1133-D1135 PolarHBondContact O-N 3.26Å; D1135-Y1137 PolarHBondContact O-N 3.22Å; D1135-R1138 PolarHBondContact O-N 2.97Å; D1135-D1139 WeakPolarHBondContact O-CB 3.35Å; D1135-D1139 PolarHBondContact O-N 3.19Å |
| 1136 | K | 61.3 | Low | 65.3 | Low | 161 Ų | 161 | 73.6 Ų | 73.6 | 70% | 0.7 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | 176.2 | -66.2 | -173.8 | 176.2 | -175.1 | 0 | 112.5 | T1133 L1134 S1140 | T1133-K1136 WeakPolarHBondContact O-CB 3.26Å; T1133-K1136 PolarHBondContact O-N 3.22Å; T1133-K1136 VanDerWaalsContact O-N 3.1Å; L1134-K1136 VanDerWaalsContact C-N 3.32Å; L1134-K1136 PolarHBondContact O-N 3.19Å; K1136-S1140 WeakPolarHBondContact O-CB 3.22Å; K1136-S1140 PolarHBondContact O-N 3.05Å; K1136-S1140 VanDerWaalsContact O-N 3.07Å; K1136-S1140 PolarHBondContact O-OG 3.08Å |
| 1137 | Y | 58.2 | Low | 65.9 | Low | 93 Ų | 93 | 72.8 Ų | 72.8 | 37% | 0.365 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75 | -35.1 | -178.6 | -76.1 | -68.3 | 0 | 0 | 0 | 112.5 | P1123 T1133 L1134 D1135 S1140 F1141 | P1123-Y1137 HydrophobicContact CB-CD1 4.12Å; P1123-Y1137 HydrophobicContact CB-CE1 4.49Å; T1133-Y1137 WeakPolarHBondContact O-CD2 3.33Å; T1133-Y1137 PolarHBondContact O-N 2.8Å; L1134-Y1137 PolarHBondContact O-N 2.8Å; D1135-Y1137 PolarHBondContact O-N 3.22Å; Y1137-S1140 PolarHBondContact O-N 3.35Å; Y1137-F1141 HydrophobicContact CD1-CD2 4.27Å; Y1137-F1141 HydrophobicContact CD1-CE2 4.12Å; Y1137-F1141 WeakPolarHBondContact O-CB 3.4Å; Y1137-F1141 WeakPolarHBondContact O-CD2 3.17Å; Y1137-F1141 PolarHBondContact O-N 3.25Å |
| 1138 | R | 56.3 | Low | 66.7 | Low | 154 Ų | 154 | 71.7 Ų | 71.7 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.6 | -38.2 | 177 | -158 | 178.2 | -170.5 | -169.9 | 1.2 | 111.5 | L1134 D1135 S1140 F1141 | L1134-R1138 WeakPolarHBondContact O-CB 3.38Å; L1134-R1138 PolarHBondContact O-N 2.89Å; D1135-R1138 PolarHBondContact O-N 2.97Å; R1138-S1140 VanDerWaalsContact C-N 3.31Å; R1138-F1141 CarbonylContact O-C 3.55Å |
| 1139 | D | 59.5 | Low | 67.6 | Low | 138 Ų | 138 | 71.8 Ų | 71.8 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.7 | -32.4 | 172.4 | -66.3 | -19.4 | 0 | 0 | 0 | 111.9 | D1135 | D1135-D1139 WeakPolarHBondContact O-CB 3.35Å; D1135-D1139 PolarHBondContact O-N 3.19Å |
| 1140 | S | 64 | Low | 68.5 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -80.7 | -24.8 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | K1136 Y1137 R1138 | K1136-S1140 WeakPolarHBondContact O-CB 3.22Å; K1136-S1140 PolarHBondContact O-N 3.05Å; K1136-S1140 VanDerWaalsContact O-N 3.07Å; K1136-S1140 PolarHBondContact O-OG 3.08Å; Y1137-S1140 PolarHBondContact O-N 3.35Å; R1138-S1140 VanDerWaalsContact C-N 3.31Å |
| 1141 | F | 66.9 | Low | 69.7 | Low | 59 Ų | 59 | 66.2 Ų | 66.2 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | trans | -140.2 | 78.2 | -172.8 | -60.1 | -71.5 | 0 | 0 | 0 | 111.1 | L1081 W1120 Y1137 R1138 H1143 I1144 | L1081-F1141 HydrophobicContact CD1-CE1 4.37Å; W1120-F1141 HydrophobicContact CH2-CB 4.23Å; W1120-F1141 AromaticContact CH2-CD1 3.38Å; W1120-F1141 HydrophobicContact CH2-CD1 3.38Å; W1120-F1141 HydrophobicContact CH2-CE1 4.03Å; W1120-F1141 HydrophobicContact CH2-CG 4.06Å; W1120-F1141 HydrophobicContact CZ2-CD1 4.14Å; W1120-F1141 HydrophobicContact CZ2-CE1 4.36Å; W1120-F1141 HydrophobicContact CZ3-CB 3.96Å; W1120-F1141 AromaticContact CZ3-CD1 3.74Å; W1120-F1141 HydrophobicContact CZ3-CD1 3.74Å; W1120-F1141 HydrophobicContact CZ3-CE1 4.48Å; W1120-F1141 AromaticContact CZ3-CG 3.96Å; W1120-F1141 HydrophobicContact CZ3-CG 3.96Å; Y1137-F1141 HydrophobicContact CD1-CD2 4.27Å; Y1137-F1141 HydrophobicContact CD1-CE2 4.12Å; Y1137-F1141 WeakPolarHBondContact O-CB 3.4Å; Y1137-F1141 WeakPolarHBondContact O-CD2 3.17Å; Y1137-F1141 PolarHBondContact O-N 3.25Å; R1138-F1141 CarbonylContact O-C 3.55Å; F1141-H1143 PolarHBondContact O-N 3.02Å; F1141-H1143 VanDerWaalsContact O-N 3.15Å; F1141-I1144 HydrophobicContact CB-CB 4.27Å; F1141-I1144 PolarHBondContact O-N 3.45Å | ||
| 1142 | P | 66 | Low | 70.8 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.5 | -175.3 | 21 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 1143 | H | 75.4 | Confident | 72.1 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 15.8 | -176.1 | -57.4 | -68.8 | 0 | 0 | 0 | 114.8 | I1084 F1141 L1145 D1146 V1147 | I1084-H1143 HydrophobicContact CD1-CB 3.88Å; F1141-H1143 PolarHBondContact O-N 3.02Å; F1141-H1143 VanDerWaalsContact O-N 3.15Å; H1143-L1145 VanDerWaalsContact C-N 3.25Å; H1143-L1145 PolarHBondContact O-N 2.9Å; H1143-D1146 PolarHBondContact O-N 3.2Å; H1143-D1146 VanDerWaalsContact O-N 3.11Å; H1143-V1147 WeakPolarHBondContact O-CG2 3.38Å; H1143-V1147 PolarHBondContact O-N 3.45Å |
| 1144 | I | 78.6 | Confident | 73.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -32.1 | -175.3 | -167.4 | 150.8 | 0 | 0 | 0 | 114.1 | W1120 P1123 I1124 I1127 F1141 A1148 | W1120-I1144 HydrophobicContact CE3-CG1 4.46Å; W1120-I1144 HydrophobicContact CZ3-CB 4.45Å; W1120-I1144 HydrophobicContact CZ3-CG1 4.42Å; P1123-I1144 HydrophobicContact CB-CD1 3.69Å; P1123-I1144 HydrophobicContact CG-CD1 4.06Å; I1124-I1144 HydrophobicContact CG1-CD1 4.42Å; I1124-I1144 HydrophobicContact CG1-CG1 4.19Å; I1127-I1144 HydrophobicContact CD1-CD1 3.45Å; I1127-I1144 VanDerWaalsContact CD1-CD1 3.45Å; I1127-I1144 HydrophobicContact CD1-CG1 4.06Å; I1127-I1144 HydrophobicContact CD1-CG2 4.08Å; F1141-I1144 HydrophobicContact CB-CB 4.27Å; F1141-I1144 PolarHBondContact O-N 3.45Å; I1144-A1148 WeakPolarHBondContact O-CB 3.41Å; I1144-A1148 PolarHBondContact O-N 3.42Å |
| 1145 | L | 79 | Confident | 75.7 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 175.1 | -76.3 | 125.2 | 0 | 0 | 0 | 111.1 | H1143 A1148 V1149 I1262 I1263 | H1143-L1145 VanDerWaalsContact C-N 3.25Å; H1143-L1145 PolarHBondContact O-N 2.9Å; L1145-A1148 WeakPolarHBondContact O-CB 3.48Å; L1145-A1148 PolarHBondContact O-N 3.49Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.49Å; L1145-V1149 PolarHBondContact O-N 3.25Å; L1145-V1149 VanDerWaalsContact O-N 3.08Å; L1145-I1262 HydrophobicContact CD2-CG2 3.85Å; L1145-I1262 HydrophobicContact CG-CG2 3.94Å; L1145-I1263 HydrophobicContact CD2-CG1 4.22Å |
| 1146 | D | 81.5 | Confident | 77.2 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -39 | -180 | -70.9 | -11.7 | 0 | 0 | 0 | 110.8 | I1084 H1143 A1148 V1149 C1150 T1369 F1370 | I1084-D1146 HydrophobicContact CD1-CB 3.4Å; I1084-D1146 HydrophobicContact CG1-CB 4.28Å; H1143-D1146 PolarHBondContact O-N 3.2Å; H1143-D1146 VanDerWaalsContact O-N 3.11Å; D1146-A1148 VanDerWaalsContact C-N 3.34Å; D1146-A1148 PolarHBondContact O-N 3.2Å; D1146-V1149 PolarHBondContact O-N 3.42Å; D1146-C1150 WeakPolarHBondContact O-CB 3.48Å; D1146-C1150 PolarHBondContact O-N 2.79Å; D1146-C1150 PolarHBondContact O-SG 3.33Å; D1146-T1369 PolarHBondContact OD2-N 3.41Å; D1146-T1369 PolarHBondContact OD2-OG1 3.19Å; D1146-F1370 HydrophobicContact CB-CD2 4.2Å; D1146-F1370 HydrophobicContact CB-CE2 4.08Å |
| 1147 | V | 85.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 173.9 | 177.1 | 0 | 0 | 0 | 0 | 111 | W1077 I1084 L1087 W1120 H1143 V1149 C1150 L1151 | W1077-V1147 HydrophobicContact CZ2-CG2 4.07Å; I1084-V1147 HydrophobicContact CD1-CB 4.49Å; I1084-V1147 HydrophobicContact CD1-CG2 3.56Å; L1087-V1147 HydrophobicContact CD2-CG1 4.5Å; L1087-V1147 HydrophobicContact CD2-CG2 4.4Å; W1120-V1147 HydrophobicContact CB-CG1 4.24Å; W1120-V1147 HydrophobicContact CD2-CG1 3.95Å; W1120-V1147 HydrophobicContact CE3-CB 4.27Å; W1120-V1147 HydrophobicContact CE3-CG1 3.97Å; W1120-V1147 HydrophobicContact CE3-CG2 4.24Å; W1120-V1147 HydrophobicContact CG-CG1 4.07Å; W1120-V1147 HydrophobicContact CH2-CG2 4.27Å; W1120-V1147 HydrophobicContact CZ3-CB 4.5Å; W1120-V1147 HydrophobicContact CZ3-CG2 4.09Å; H1143-V1147 WeakPolarHBondContact O-CG2 3.38Å; H1143-V1147 PolarHBondContact O-N 3.45Å; V1147-V1149 VanDerWaalsContact C-N 3.34Å; V1147-V1149 PolarHBondContact O-N 3.42Å; V1147-C1150 WeakPolarHBondContact O-CB 3.42Å; V1147-C1150 PolarHBondContact O-N 2.9Å; V1147-L1151 HydrophobicContact CG1-CD1 4.33Å; V1147-L1151 HydrophobicContact CG1-CG 4.43Å; V1147-L1151 WeakPolarHBondContact O-CG 3.42Å; V1147-L1151 PolarHBondContact O-N 2.83Å |
| 1148 | A | 84.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1124 I1144 L1145 D1146 L1151 I1152 S1259 I1262 | I1124-A1148 HydrophobicContact CD1-CB 4.16Å; I1144-A1148 WeakPolarHBondContact O-CB 3.41Å; I1144-A1148 PolarHBondContact O-N 3.42Å; L1145-A1148 WeakPolarHBondContact O-CB 3.48Å; L1145-A1148 PolarHBondContact O-N 3.49Å; D1146-A1148 VanDerWaalsContact C-N 3.34Å; D1146-A1148 PolarHBondContact O-N 3.2Å; A1148-L1151 PolarHBondContact O-N 3.14Å; A1148-I1152 PolarHBondContact O-N 3.4Å; A1148-S1259 PolarHBondContact O-OG 2.99Å; A1148-I1262 HydrophobicContact CB-CD1 4.35Å |
| 1149 | V | 86.3 | Confident | 81.1 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | L1145 D1146 V1147 I1263 F1370 R1378 F1379 | L1145-V1149 WeakPolarHBondContact O-CG2 3.49Å; L1145-V1149 PolarHBondContact O-N 3.25Å; L1145-V1149 VanDerWaalsContact O-N 3.08Å; D1146-V1149 PolarHBondContact O-N 3.42Å; V1147-V1149 VanDerWaalsContact C-N 3.34Å; V1147-V1149 PolarHBondContact O-N 3.42Å; V1149-I1263 HydrophobicContact CG2-CD1 3.26Å; V1149-I1263 HydrophobicContact CG2-CG1 4.44Å; V1149-F1370 HydrophobicContact CB-CD2 3.84Å; V1149-F1370 HydrophobicContact CB-CE2 3.89Å; V1149-F1370 HydrophobicContact CB-CG 4.48Å; V1149-F1370 HydrophobicContact CG1-CD1 4.18Å; V1149-F1370 HydrophobicContact CG1-CD2 3.68Å; V1149-F1370 HydrophobicContact CG1-CE1 4.34Å; V1149-F1370 HydrophobicContact CG1-CE2 3.82Å; V1149-F1370 HydrophobicContact CG1-CG 3.85Å; V1149-F1370 HydrophobicContact CG1-CZ 4.14Å; V1149-F1370 HydrophobicContact CG2-CD2 4.37Å; V1149-R1378 VanDerWaalsContact CG1-CD 3.48Å; V1149-R1378 PolarHBondContact O-NH1 3.48Å; V1149-F1379 HydrophobicContact CG2-CE2 4.45Å |
| 1150 | C | 87.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 174 | -79.8 | 0 | 0 | 0 | 0 | 112.4 | L1087 I1091 D1146 V1147 I1152 G1153 F1154 F1370 | L1087-C1150 HydrophobicContact CD2-CB 3.88Å; L1087-C1150 HydrophobicContact CG-CB 4.31Å; I1091-C1150 HydrophobicContact CD1-CB 3.56Å; I1091-C1150 WeakPolarHBondContact CD1-O 3.25Å; D1146-C1150 WeakPolarHBondContact O-CB 3.48Å; D1146-C1150 PolarHBondContact O-N 2.79Å; D1146-C1150 PolarHBondContact O-SG 3.33Å; V1147-C1150 WeakPolarHBondContact O-CB 3.42Å; V1147-C1150 PolarHBondContact O-N 2.9Å; C1150-I1152 VanDerWaalsContact C-N 3.27Å; C1150-I1152 PolarHBondContact O-N 3.11Å; C1150-G1153 WeakPolarHBondContact O-CA 3.18Å; C1150-G1153 PolarHBondContact O-N 2.98Å; C1150-F1154 PolarHBondContact O-N 3.41Å; C1150-F1370 VanDerWaalsContact SG-CZ 3.53Å |
| 1151 | L | 88.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -33.8 | -178.7 | -76.2 | 173.6 | 0 | 0 | 0 | 113.1 | W1113 L1117 I1124 V1147 A1148 G1153 F1154 F1155 I1255 | W1113-L1151 HydrophobicContact CZ3-CD2 4.4Å; L1117-L1151 HydrophobicContact CB-CD2 4.27Å; L1117-L1151 HydrophobicContact CD1-CD2 4.02Å; L1117-L1151 HydrophobicContact CD2-CD2 4.16Å; L1117-L1151 HydrophobicContact CG-CD2 4.4Å; I1124-L1151 HydrophobicContact CD1-CD1 3.46Å; I1124-L1151 VanDerWaalsContact CD1-CD1 3.46Å; V1147-L1151 HydrophobicContact CG1-CD1 4.33Å; V1147-L1151 HydrophobicContact CG1-CG 4.43Å; V1147-L1151 WeakPolarHBondContact O-CG 3.42Å; V1147-L1151 PolarHBondContact O-N 2.83Å; A1148-L1151 PolarHBondContact O-N 3.14Å; L1151-G1153 VanDerWaalsContact C-N 3.33Å; L1151-G1153 PolarHBondContact O-N 2.91Å; L1151-F1154 PolarHBondContact O-N 3.02Å; L1151-F1155 HydrophobicContact CD2-CE2 4.48Å; L1151-F1155 WeakPolarHBondContact O-CD2 3.4Å; L1151-F1155 PolarHBondContact O-N 3.21Å; L1151-I1255 HydrophobicContact CB-CG2 3.71Å |
| 1152 | I | 88.2 | Confident | 84.1 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.046 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 172.3 | -64.4 | 171.2 | 0 | 0 | 0 | 110.7 | A1148 C1150 R1156 I1255 F1379 S1382 | A1148-I1152 PolarHBondContact O-N 3.4Å; C1150-I1152 VanDerWaalsContact C-N 3.27Å; C1150-I1152 PolarHBondContact O-N 3.11Å; I1152-R1156 WeakPolarHBondContact O-CB 3.1Å; I1152-R1156 PolarHBondContact O-N 3.49Å; I1152-R1156 VanDerWaalsContact O-N 3.16Å; I1152-I1255 HydrophobicContact CG1-CG2 4.22Å; I1152-F1379 HydrophobicContact CD1-CD1 4.09Å; I1152-F1379 HydrophobicContact CD1-CD2 4.46Å; I1152-F1379 HydrophobicContact CD1-CE1 3.4Å; I1152-F1379 VanDerWaalsContact CD1-CE1 3.4Å; I1152-F1379 HydrophobicContact CD1-CE2 3.8Å; I1152-F1379 HydrophobicContact CD1-CZ 3.22Å; I1152-S1382 WeakPolarHBondContact CG2-OG 3.27Å |
| 1153 | G | 87.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 7% | 0.072 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | C1150 L1151 R1156 I1157 | C1150-G1153 WeakPolarHBondContact O-CA 3.18Å; C1150-G1153 PolarHBondContact O-N 2.98Å; L1151-G1153 VanDerWaalsContact C-N 3.33Å; L1151-G1153 PolarHBondContact O-N 2.91Å; G1153-R1156 PolarHBondContact O-N 3.03Å; G1153-I1157 WeakPolarHBondContact O-CD1 3.31Å; G1153-I1157 WeakPolarHBondContact O-CG1 3.46Å; G1153-I1157 PolarHBondContact O-N 3.37Å |
| 1154 | F | 91.4 | Very high | 85 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.3 | -53.1 | 177 | 173.1 | -100.5 | 0 | 0 | 0 | 111.9 | I1091 G1109 I1112 W1113 L1117 C1150 L1151 R1156 I1157 Y1158 | I1091-F1154 HydrophobicContact CD1-CB 4.15Å; I1091-F1154 HydrophobicContact CG1-CB 4.24Å; G1109-F1154 WeakPolarHBondContact O-CZ 3.43Å; I1112-F1154 HydrophobicContact CB-CE2 4.34Å; I1112-F1154 HydrophobicContact CG2-CE2 3.93Å; I1112-F1154 HydrophobicContact CG2-CZ 4.32Å; W1113-F1154 HydrophobicContact CB-CZ 4.41Å; W1113-F1154 HydrophobicContact CE3-CE1 4.19Å; L1117-F1154 HydrophobicContact CD1-CD1 4Å; L1117-F1154 HydrophobicContact CD1-CD2 4.1Å; L1117-F1154 HydrophobicContact CD1-CE1 4.01Å; L1117-F1154 HydrophobicContact CD1-CE2 4.1Å; L1117-F1154 HydrophobicContact CD1-CG 4.04Å; L1117-F1154 HydrophobicContact CD1-CZ 4.07Å; C1150-F1154 PolarHBondContact O-N 3.41Å; L1151-F1154 PolarHBondContact O-N 3.02Å; F1154-R1156 VanDerWaalsContact C-N 3.32Å; F1154-R1156 PolarHBondContact O-N 3.38Å; F1154-I1157 PolarHBondContact O-N 2.74Å; F1154-I1157 VanDerWaalsContact O-N 3.11Å; F1154-Y1158 HydrophobicContact CE1-CD1 4.33Å; F1154-Y1158 HydrophobicContact CE1-CG 4.41Å; F1154-Y1158 HydrophobicContact CZ-CG 4.28Å; F1154-Y1158 VanDerWaalsContact O-CB 3.31Å; F1154-Y1158 WeakPolarHBondContact O-CB 3.5Å; F1154-Y1158 PolarHBondContact O-N 3.34Å |
| 1155 | F | 88.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -35.3 | -178.1 | -91 | -86.3 | 0 | 0 | 0 | 113 | W1113 L1151 I1157 Y1158 S1159 I1248 W1251 E1252 I1255 | W1113-F1155 HydrophobicContact CD2-CZ 4.13Å; W1113-F1155 AromaticContact CE3-CE2 3.87Å; W1113-F1155 HydrophobicContact CE3-CE2 3.87Å; W1113-F1155 AromaticContact CE3-CZ 3.77Å; W1113-F1155 HydrophobicContact CE3-CZ 3.77Å; W1113-F1155 AromaticContact CH2-CE2 3.69Å; W1113-F1155 HydrophobicContact CH2-CE2 3.69Å; W1113-F1155 AromaticContact CH2-CZ 3.43Å; W1113-F1155 HydrophobicContact CH2-CZ 3.43Å; W1113-F1155 VanDerWaalsContact CH2-CZ 3.43Å; W1113-F1155 AromaticContact CZ2-CZ 3.87Å; W1113-F1155 HydrophobicContact CZ2-CZ 3.87Å; W1113-F1155 AromaticContact CZ3-CE2 3.36Å; W1113-F1155 HydrophobicContact CZ3-CE2 3.36Å; W1113-F1155 AromaticContact CZ3-CZ 3.46Å; W1113-F1155 HydrophobicContact CZ3-CZ 3.46Å; W1113-F1155 VanDerWaalsContact CZ3-CZ 3.46Å; L1151-F1155 HydrophobicContact CD2-CE2 4.48Å; L1151-F1155 WeakPolarHBondContact O-CD2 3.4Å; L1151-F1155 PolarHBondContact O-N 3.21Å; F1155-I1157 VanDerWaalsContact C-N 3.29Å; F1155-I1157 PolarHBondContact O-N 3.24Å; F1155-Y1158 HydrophobicContact CD1-CD1 4.38Å; F1155-Y1158 HydrophobicContact CE1-CD1 4.24Å; F1155-Y1158 PolarHBondContact O-N 2.77Å; F1155-S1159 WeakPolarHBondContact O-CB 3.44Å; F1155-S1159 PolarHBondContact O-N 2.79Å; F1155-I1248 HydrophobicContact CD1-CG2 4.35Å; F1155-W1251 HydrophobicContact CD1-CB 4.14Å; F1155-W1251 HydrophobicContact CE1-CB 3.45Å; F1155-W1251 VanDerWaalsContact CE1-CB 3.45Å; F1155-W1251 HydrophobicContact CE1-CG 4.34Å; F1155-W1251 HydrophobicContact CZ-CB 3.92Å; F1155-E1252 HydrophobicContact CB-CB 4.11Å; F1155-E1252 HydrophobicContact CB-CG 4.11Å; F1155-E1252 HydrophobicContact CD1-CB 4.22Å; F1155-E1252 HydrophobicContact CG-CB 4.48Å; F1155-I1255 HydrophobicContact CD2-CD1 3.18Å; F1155-I1255 HydrophobicContact CD2-CG1 4.48Å; F1155-I1255 HydrophobicContact CE1-CD1 4.37Å; F1155-I1255 HydrophobicContact CE2-CD1 2.96Å; F1155-I1255 HydrophobicContact CE2-CG1 4.45Å; F1155-I1255 HydrophobicContact CG-CD1 4.01Å; F1155-I1255 HydrophobicContact CZ-CD1 3.62Å |
| 1156 | R | 86.8 | Confident | 84.3 | Confident | 114 Ų | 114 | 34.7 Ų | 34.7 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 173.5 | -174.8 | -176.9 | 68.1 | 173 | 1.9 | 111.7 | I1152 G1153 F1154 N1160 | I1152-R1156 WeakPolarHBondContact O-CB 3.1Å; I1152-R1156 PolarHBondContact O-N 3.49Å; I1152-R1156 VanDerWaalsContact O-N 3.16Å; G1153-R1156 PolarHBondContact O-N 3.03Å; F1154-R1156 VanDerWaalsContact C-N 3.32Å; F1154-R1156 PolarHBondContact O-N 3.38Å; R1156-N1160 WeakPolarHBondContact O-CB 3.46Å; R1156-N1160 PolarHBondContact O-N 2.94Å; R1156-N1160 PolarHBondContact O-ND2 3.45Å |
| 1157 | I | 85.7 | Confident | 83.5 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.5 | -45.9 | 179.4 | -62.3 | 157.7 | 0 | 0 | 0 | 110.2 | I1091 I1094 G1153 F1154 F1155 N1160 A1161 | I1091-I1157 HydrophobicContact CG2-CD1 3.65Å; I1091-I1157 WeakPolarHBondContact O-CD1 3.26Å; I1094-I1157 HydrophobicContact CG2-CG2 3.71Å; G1153-I1157 WeakPolarHBondContact O-CD1 3.31Å; G1153-I1157 WeakPolarHBondContact O-CG1 3.46Å; G1153-I1157 PolarHBondContact O-N 3.37Å; F1154-I1157 PolarHBondContact O-N 2.74Å; F1154-I1157 VanDerWaalsContact O-N 3.11Å; F1155-I1157 VanDerWaalsContact C-N 3.29Å; F1155-I1157 PolarHBondContact O-N 3.24Å; I1157-N1160 PolarHBondContact O-N 3.06Å; I1157-A1161 WeakPolarHBondContact O-CB 3.49Å; I1157-A1161 PolarHBondContact O-N 3.24Å |
| 1158 | Y | 87.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | -178.3 | -177.8 | -127.2 | 0 | 0 | 0 | 112.7 | Q1106 T1110 F1154 F1155 A1161 C1162 P1243 I1248 | Q1106-Y1158 WeakPolarHBondContact O-CE2 3.39Å; T1110-Y1158 WeakPolarHBondContact CA-OH 3.41Å; T1110-Y1158 PolarHBondContact OG1-OH 2.82Å; F1154-Y1158 HydrophobicContact CE1-CD1 4.33Å; F1154-Y1158 HydrophobicContact CE1-CG 4.41Å; F1154-Y1158 HydrophobicContact CZ-CG 4.28Å; F1154-Y1158 VanDerWaalsContact O-CB 3.31Å; F1154-Y1158 WeakPolarHBondContact O-CB 3.5Å; F1154-Y1158 PolarHBondContact O-N 3.34Å; F1155-Y1158 HydrophobicContact CD1-CD1 4.38Å; F1155-Y1158 HydrophobicContact CE1-CD1 4.24Å; F1155-Y1158 PolarHBondContact O-N 2.77Å; Y1158-A1161 PolarHBondContact O-N 3.16Å; Y1158-C1162 PolarHBondContact O-N 2.9Å; Y1158-C1162 PolarHBondContact O-SG 2.99Å; Y1158-P1243 WeakPolarHBondContact OH-CG 3.4Å; Y1158-I1248 HydrophobicContact CD1-CG2 3.95Å; Y1158-I1248 HydrophobicContact CE1-CD1 4.44Å; Y1158-I1248 HydrophobicContact CE1-CG1 4.15Å; Y1158-I1248 HydrophobicContact CE1-CG2 4.19Å |
| 1159 | S | 84.5 | Confident | 81.3 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | F1155 A1161 C1162 Q1163 E1252 | F1155-S1159 WeakPolarHBondContact O-CB 3.44Å; F1155-S1159 PolarHBondContact O-N 2.79Å; S1159-A1161 PolarHBondContact O-N 3.03Å; S1159-C1162 PolarHBondContact O-N 2.62Å; S1159-Q1163 VanDerWaalsContact O-CG 3.31Å; S1159-Q1163 WeakPolarHBondContact O-CG 3.33Å; S1159-Q1163 PolarHBondContact O-N 2.97Å; S1159-E1252 WeakPolarHBondContact CB-OE2 3.42Å; S1159-E1252 PolarHBondContact OG-OE2 3Å |
| 1160 | N | 84.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 52 Ų | 52 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.3 | -76.6 | -25.9 | 0 | 0 | 0 | 113 | R1156 I1157 Q1163 R1164 | R1156-N1160 WeakPolarHBondContact O-CB 3.46Å; R1156-N1160 PolarHBondContact O-N 2.94Å; R1156-N1160 PolarHBondContact O-ND2 3.45Å; I1157-N1160 PolarHBondContact O-N 3.06Å; N1160-Q1163 PolarHBondContact O-N 2.84Å; N1160-R1164 PolarHBondContact O-N 3.23Å |
| 1161 | A | 85.6 | Confident | 78.4 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1105 Q1106 I1157 Y1158 S1159 Q1163 R1164 A1165 | A1105-A1161 HydrophobicContact CB-CB 4.07Å; Q1106-A1161 HydrophobicContact CB-CB 4.2Å; I1157-A1161 WeakPolarHBondContact O-CB 3.49Å; I1157-A1161 PolarHBondContact O-N 3.24Å; Y1158-A1161 PolarHBondContact O-N 3.16Å; S1159-A1161 PolarHBondContact O-N 3.03Å; A1161-Q1163 VanDerWaalsContact C-N 3.25Å; A1161-Q1163 PolarHBondContact O-N 3.4Å; A1161-R1164 PolarHBondContact O-N 3.23Å; A1161-R1164 VanDerWaalsContact O-N 3.12Å; A1161-A1165 VanDerWaalsContact O-CB 3.27Å; A1161-A1165 WeakPolarHBondContact O-CB 3.01Å; A1161-A1165 PolarHBondContact O-N 2.88Å |
| 1162 | C | 83.2 | Confident | 76.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -28.9 | 177.4 | -63 | 0 | 0 | 0 | 0 | 113.1 | Q1106 Y1158 S1159 I1248 | Q1106-C1162 HydrophobicContact CG-CB 4.43Å; Q1106-C1162 VanDerWaalsContact CG-SG 3.51Å; Y1158-C1162 PolarHBondContact O-N 2.9Å; Y1158-C1162 PolarHBondContact O-SG 2.99Å; S1159-C1162 PolarHBondContact O-N 2.62Å; C1162-I1248 HydrophobicContact CB-CD1 3.5Å; C1162-I1248 WeakPolarHBondContact SG-CD1 3.34Å |
| 1163 | Q | 79.8 | Confident | 74.8 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.9 | -26.1 | 174.9 | -76.9 | 175.1 | 25.8 | 0 | 0 | 114.1 | S1159 N1160 A1161 M1245 | S1159-Q1163 VanDerWaalsContact O-CG 3.31Å; S1159-Q1163 WeakPolarHBondContact O-CG 3.33Å; S1159-Q1163 PolarHBondContact O-N 2.97Å; N1160-Q1163 PolarHBondContact O-N 2.84Å; A1161-Q1163 VanDerWaalsContact C-N 3.25Å; A1161-Q1163 PolarHBondContact O-N 3.4Å; Q1163-M1245 HydrophobicContact CG-CE 3.49Å; Q1163-M1245 VanDerWaalsContact CG-CE 3.49Å; Q1163-M1245 HydrophobicContact CG-SD 4.36Å |
| 1164 | R | 80.5 | Confident | 73.1 | Confident | 176 Ų | 176 | 65.8 Ų | 65.8 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -108 | -11.4 | -173.2 | -67.2 | 179.4 | 178.8 | 172.4 | -0.2 | 113.6 | T1102 N1160 A1161 E1166 | T1102-R1164 HydrophobicContact CG2-CB 4.3Å; N1160-R1164 PolarHBondContact O-N 3.23Å; A1161-R1164 PolarHBondContact O-N 3.23Å; A1161-R1164 VanDerWaalsContact O-N 3.12Å; R1164-E1166 VanDerWaalsContact C-N 3.28Å; R1164-E1166 PolarHBondContact O-N 3.04Å |
| 1165 | A | 74.3 | Confident | 71.3 | Confident | 18 Ų | 18 | 71 Ų | 71 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | trans | -73.5 | 76.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1103 Q1106 A1161 | M1103-A1165 HydrophobicContact CB-CB 4.32Å; M1103-A1165 HydrophobicContact CG-CB 4.15Å; Q1106-A1165 HydrophobicContact CB-CB 4.05Å; Q1106-A1165 HydrophobicContact CG-CB 4.33Å; A1161-A1165 VanDerWaalsContact O-CB 3.27Å; A1161-A1165 WeakPolarHBondContact O-CB 3.01Å; A1161-A1165 PolarHBondContact O-N 2.88Å | ||
| 1166 | E | 69.1 | Low | 69.7 | Low | 171 Ų | 171 | 76.5 Ų | 76.5 | 80% | 0.799 | 40% | 0.402 | S | S | * | . | trans | -105.9 | -27.9 | 173.4 | -67.4 | -174.1 | 172 | 0 | 0 | 112.8 | R1164 | R1164-E1166 VanDerWaalsContact C-N 3.28Å; R1164-E1166 PolarHBondContact O-N 3.04Å | ||
| 1167 | V | 63.4 | Low | 68.5 | Low | 111 Ų | 111 | 71.9 Ų | 71.9 | 67% | 0.673 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -104.1 | 118.3 | -170.7 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | P1169 | V1167-P1169 WeakPolarHBondContact O-CD 3.48Š|
| 1168 | V | 63.7 | Low | 66.8 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 61% | 0.606 | 40% | 0.397 | S | S | * | . | trans | -67.4 | 117.2 | 169.3 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | M1103 V1170 | M1103-V1168 HydrophobicContact CE-CB 4.06Å; M1103-V1168 HydrophobicContact CE-CG1 4.01Å; M1103-V1168 HydrophobicContact CE-CG2 3.95Å; M1103-V1168 HydrophobicContact SD-CB 4.38Å; M1103-V1168 HydrophobicContact SD-CG2 4.09Å; V1168-V1170 PolarHBondContact O-N 2.93Å | ||
| 1169 | P | 60.1 | Low | 64.8 | Low | 27 Ų | 27 | 77.5 Ų | 77.5 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | trans | -62.7 | 128.2 | 175.8 | 25.5 | -28.5 | 0 | 0 | 0 | 108.5 | M1103 V1167 F1171 V1238 | M1103-P1169 HydrophobicContact CE-CG 4.35Å; V1167-P1169 WeakPolarHBondContact O-CD 3.48Å; P1169-F1171 HydrophobicContact CB-CE1 4.33Å; P1169-F1171 HydrophobicContact CB-CZ 4.1Å; P1169-F1171 HydrophobicContact CG-CE1 4.23Å; P1169-F1171 HydrophobicContact CG-CE2 3.9Å; P1169-F1171 HydrophobicContact CG-CZ 3.54Å; P1169-F1171 PolarHBondContact O-N 3.34Å; P1169-V1238 HydrophobicContact CG-CG2 3.87Å | ||
| 1170 | V | 55.3 | Low | 62.7 | Low | 136 Ų | 136 | 81.8 Ų | 81.8 | 82% | 0.824 | 44% | 0.438 | S | S | * | . | trans | -78.2 | 102.2 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | V1168 S1172 | V1168-V1170 PolarHBondContact O-N 2.93Å; V1170-S1172 PolarHBondContact O-N 2.78Å | ||
| 1171 | F | 58.8 | Low | 60.3 | Low | 69 Ų | 69 | 85.4 Ų | 85.4 | 30% | 0.303 | 46% | 0.457 | S | S | . | . | trans | -73 | 115.7 | 168.3 | -58.6 | -67.1 | 0 | 0 | 0 | 107.9 | P1169 V1173 V1234 V1238 | P1169-F1171 HydrophobicContact CB-CE1 4.33Å; P1169-F1171 HydrophobicContact CB-CZ 4.1Å; P1169-F1171 HydrophobicContact CG-CE1 4.23Å; P1169-F1171 HydrophobicContact CG-CE2 3.9Å; P1169-F1171 HydrophobicContact CG-CZ 3.54Å; P1169-F1171 PolarHBondContact O-N 3.34Å; F1171-V1173 PolarHBondContact O-N 3.41Å; F1171-V1234 HydrophobicContact CE1-CG1 3.4Å; F1171-V1234 HydrophobicContact CE2-CG1 4.39Å; F1171-V1234 HydrophobicContact CZ-CG1 3.31Å; F1171-V1238 HydrophobicContact CE2-CB 4.15Å; F1171-V1238 HydrophobicContact CE2-CG1 4.09Å; F1171-V1238 HydrophobicContact CE2-CG2 3.84Å; F1171-V1238 HydrophobicContact CZ-CB 4.45Å; F1171-V1238 HydrophobicContact CZ-CG2 3.7Å | ||
| 1172 | S | 49.1 | Very low | 58 | Low | 66 Ų | 66 | 89 Ų | 89 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | trans | -61.1 | 123.5 | 163 | -55 | 0 | 0 | 0 | 0 | 106.8 | F1058 V1170 E1174 | F1058-S1172 VanDerWaalsContact CZ-OG 3.23Å; F1058-S1172 WeakPolarHBondContact CZ-OG 3.45Å; V1170-S1172 PolarHBondContact O-N 2.78Å; S1172-E1174 VanDerWaalsContact C-N 3.25Å; S1172-E1174 PolarHBondContact O-N 2.96Å | ||
| 1173 | V | 51.7 | Low | 55.6 | Low | 134 Ų | 134 | 91.1 Ų | 91.1 | 81% | 0.812 | 49% | 0.493 | S | S | * | . | trans | -70 | 91.6 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | F1171 T1175 | F1171-V1173 PolarHBondContact O-N 3.41Å; V1173-T1175 PolarHBondContact O-N 3.49Å | ||
| 1174 | E | 52.2 | Low | 53.2 | Low | 40 Ų | 40 | 93 Ų | 93 | 19% | 0.187 | 51% | 0.505 | C | S | . | . | trans | -54 | 133.9 | 155.8 | -73 | -168.7 | 159.2 | 0 | 0 | 106 | R993 F1058 S1172 E1176 | R993-E1174 VanDerWaalsContact CD-OE2 3.29Å; R993-E1174 WeakPolarHBondContact CD-OE2 3.35Å; R993-E1174 IonicContact CZ-OE2 2.87Å; R993-E1174 IonicContact NE-OE2 2.88Å; R993-E1174 IonicContact NH1-OE1 3.8Å; R993-E1174 IonicContact NH1-OE2 2.88Å; R993-E1174 PolarHBondContact NH1-OE2 3.14Å; F1058-E1174 HydrophobicContact CB-CG 3.94Å; F1058-E1174 WeakPolarHBondContact CB-OE1 3.27Å; F1058-E1174 HydrophobicContact CD2-CG 3.3Å; F1058-E1174 WeakPolarHBondContact CD2-OE1 3.49Å; F1058-E1174 HydrophobicContact CE2-CG 4.1Å; F1058-E1174 HydrophobicContact CG-CG 3.89Å; F1058-E1174 PolarHBondContact N-OE1 3.08Å; S1172-E1174 VanDerWaalsContact C-N 3.25Å; S1172-E1174 PolarHBondContact O-N 2.96Å; E1174-E1176 PolarHBondContact O-N 3.26Å | ||
| 1175 | T | 52.3 | Low | 51 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | trans | -55.2 | 111.5 | 172.3 | 40.4 | 0 | 0 | 0 | 0 | 107.4 | V1173 W1177 | V1173-T1175 PolarHBondContact O-N 3.49Å; T1175-W1177 PolarHBondContact O-N 2.97Å | ||
| 1176 | E | 56.4 | Low | 48.9 | Very low | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | trans | -50.8 | 134.8 | 171.4 | -71.4 | -177.3 | -176 | 0 | 0 | 106.7 | E1174 S1178 | E1174-E1176 PolarHBondContact O-N 3.26Å; E1176-S1178 PolarHBondContact O-N 3.43Å | ||
| 1177 | W | 61.3 | Low | 46.9 | Very low | 18 Ų | 18 | 93.8 Ų | 93.8 | 7% | 0.068 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -69.6 | 66.9 | 170.2 | -73 | -2.9 | 0 | 0 | 0 | 108.3 | Q949 D952 I953 L985 V988 L989 R993 T1175 | Q949-W1177 HydrophobicContact CB-CH2 3.89Å; Q949-W1177 HydrophobicContact CB-CZ2 4Å; Q949-W1177 HydrophobicContact CB-CZ3 4.25Å; Q949-W1177 HydrophobicContact CG-CD2 4.17Å; Q949-W1177 HydrophobicContact CG-CE3 4.47Å; Q949-W1177 HydrophobicContact CG-CH2 4.11Å; Q949-W1177 HydrophobicContact CG-CZ2 3.75Å; Q949-W1177 HydrophobicContact CG-CZ3 4.44Å; D952-W1177 HydrophobicContact CB-CH2 4.41Å; D952-W1177 HydrophobicContact CB-CZ2 4.41Å; I953-W1177 HydrophobicContact CD1-CH2 4.27Å; I953-W1177 HydrophobicContact CD1-CZ3 3.91Å; I953-W1177 HydrophobicContact CG1-CH2 3.9Å; I953-W1177 HydrophobicContact CG1-CZ3 3.96Å; L985-W1177 HydrophobicContact CD1-CE3 4.16Å; L985-W1177 HydrophobicContact CD1-CZ3 3.77Å; V988-W1177 HydrophobicContact CB-CE3 4.13Å; V988-W1177 HydrophobicContact CB-CZ3 3.89Å; V988-W1177 HydrophobicContact CG1-CE3 3.46Å; V988-W1177 VanDerWaalsContact CG1-CE3 3.46Å; V988-W1177 HydrophobicContact CG1-CH2 4.35Å; V988-W1177 HydrophobicContact CG1-CZ3 3.29Å; L989-W1177 HydrophobicContact CD2-CB 3.81Å; L989-W1177 HydrophobicContact CD2-CD2 4.36Å; L989-W1177 HydrophobicContact CD2-CE3 4.01Å; L989-W1177 HydrophobicContact CD2-CG 4.33Å; R993-W1177 HydrophobicContact CG-CD2 4.01Å; R993-W1177 HydrophobicContact CG-CG 4.03Å; R993-W1177 VanDerWaalsContact CZ-NE1 3.26Å; T1175-W1177 PolarHBondContact O-N 2.97Å |
| 1178 | S | 49.2 | Very low | 45.1 | Very low | 55 Ų | 55 | 92.2 Ų | 92.2 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | trans | -130.5 | 74.7 | -174.9 | 65.5 | 0 | 0 | 0 | 0 | 109.2 | E1176 F1180 | E1176-S1178 PolarHBondContact O-N 3.43Å; S1178-F1180 PolarHBondContact O-N 2.93Å | ||
| 1179 | D | 46 | Very low | 43.3 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 38.8 | 164.1 | -75.8 | -25.1 | 0 | 0 | 0 | 111.5 | D1181 T1182 | D1179-D1181 PolarHBondContact O-N 3.46Å; D1179-T1182 PolarHBondContact O-OG1 3.47Å |
| 1180 | F | 39.4 | Very low | 41.5 | Very low | 94 Ų | 94 | 100.3 Ų | 100.3 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75 | -12.8 | 175.5 | -93.1 | -75.9 | 0 | 0 | 0 | 112.8 | S1178 T1182 C1183 I1184 | S1178-F1180 PolarHBondContact O-N 2.93Å; F1180-T1182 PolarHBondContact O-N 2.82Å; F1180-C1183 HydrophobicContact CD1-CB 3.98Å; F1180-C1183 HydrophobicContact CE1-CB 4.44Å; F1180-C1183 PolarHBondContact O-N 3.25Å; F1180-C1183 VanDerWaalsContact O-N 3.1Å; F1180-I1184 PolarHBondContact O-N 3.17Å |
| 1181 | D | 34.1 | Very low | 40.2 | Very low | 143 Ų | 143 | 99.9 Ų | 99.9 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -22.4 | 177 | -83.6 | -16.9 | 0 | 0 | 0 | 113.3 | D1179 | D1179-D1181 PolarHBondContact O-N 3.46Å |
| 1182 | T | 37.9 | Very low | 38.7 | Very low | 84 Ų | 84 | 102.2 Ų | 102.2 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -86.6 | -23 | 171.7 | 56.6 | 0 | 0 | 0 | 0 | 113 | D1179 F1180 D1186 | D1179-T1182 PolarHBondContact O-OG1 3.47Å; F1180-T1182 PolarHBondContact O-N 2.82Å; T1182-D1186 PolarHBondContact O-N 3.24Å |
| 1183 | C | 32.1 | Very low | 37.7 | Very low | 60 Ų | 60 | 103.1 Ų | 103.1 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -82.5 | -7.4 | 179.1 | -66.1 | 0 | 0 | 0 | 0 | 114.9 | F1180 D1186 | F1180-C1183 HydrophobicContact CD1-CB 3.98Å; F1180-C1183 HydrophobicContact CE1-CB 4.44Å; F1180-C1183 PolarHBondContact O-N 3.25Å; F1180-C1183 VanDerWaalsContact O-N 3.1Å; C1183-D1186 CarbonylContact O-C 3.34Å |
| 1184 | I | 30.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 106 Ų | 106 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -30.5 | 174.7 | -66 | 173.4 | 0 | 0 | 0 | 111.4 | F1180 | F1180-I1184 PolarHBondContact O-N 3.17Š|
| 1185 | N | 33.7 | Very low | 35.9 | Very low | 149 Ų | 149 | 107.3 Ų | 107.3 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -29 | 172.3 | -79 | -22.2 | 0 | 0 | 0 | 112.7 | K1187 | N1185-K1187 VanDerWaalsContact C-N 3.26Å; N1185-K1187 PolarHBondContact O-N 3.29Å |
| 1186 | D | 30.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 77.2 | 167.6 | -78.2 | -14.3 | 0 | 0 | 0 | 109.6 | T1182 C1183 S1188 | T1182-D1186 PolarHBondContact O-N 3.24Å; C1183-D1186 CarbonylContact O-C 3.34Å; D1186-S1188 VanDerWaalsContact C-N 3.3Å; D1186-S1188 PolarHBondContact O-N 3.21Å |
| 1187 | K | 26.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 108 Ų | 108 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -31.5 | 94.2 | 168.7 | -77.2 | -172.8 | 166.5 | -161.2 | 0 | 111.4 | N1185 F1189 | N1185-K1187 VanDerWaalsContact C-N 3.26Å; N1185-K1187 PolarHBondContact O-N 3.29Å; K1187-F1189 PolarHBondContact O-N 3.13Å |
| 1188 | S | 25.7 | Very low | 32.4 | Very low | 77 Ų | 77 | 111.2 Ų | 111.2 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | trans | 14.7 | 98.4 | 167 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | D1186 Q1190 | D1186-S1188 VanDerWaalsContact C-N 3.3Å; D1186-S1188 PolarHBondContact O-N 3.21Å; S1188-Q1190 PolarHBondContact O-N 3.08Å | ||
| 1189 | F | 25.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 114.2 Ų | 114.2 | 72% | 0.719 | 57% | 0.573 | S | S | * | * | trans | -57.6 | 84.5 | 144 | -96 | -90.7 | 0 | 0 | 0 | 107 | K1187 F1191 | K1187-F1189 PolarHBondContact O-N 3.13Å; F1189-F1191 PolarHBondContact O-N 2.9Å | ||
| 1190 | Q | 23.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | trans | -71.2 | 80.2 | 169.5 | -78.2 | -175.1 | -14.4 | 0 | 0 | 107.7 | S1188 N1192 | S1188-Q1190 PolarHBondContact O-N 3.08Å; Q1190-N1192 PolarHBondContact O-N 3.41Å | ||
| 1191 | F | 27.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | trans | -68.3 | 91.2 | 147.4 | -95.9 | -88.2 | 0 | 0 | 0 | 106.1 | Y383 F1189 D1193 | Y383-F1191 WeakPolarHBondContact OH-CE1 3.48Å; F1189-F1191 PolarHBondContact O-N 2.9Å; F1191-D1193 PolarHBondContact O-N 3.11Å | ||
| 1192 | N | 26.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | trans | -70 | 78.9 | 168.9 | -89.2 | -24.5 | 0 | 0 | 0 | 108.3 | Q1190 K1194 | Q1190-N1192 PolarHBondContact O-N 3.41Å; N1192-K1194 PolarHBondContact O-N 2.9Å | ||
| 1193 | D | 29.3 | Very low | 29 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 45% | 0.449 | 60% | 0.602 | S | S | . | * | trans | -79 | 50.6 | 169.4 | -91.2 | -25.9 | 0 | 0 | 0 | 111.5 | F1191 T1195 F1196 | F1191-D1193 PolarHBondContact O-N 3.11Å; D1193-T1195 PolarHBondContact O-N 3.12Å; D1193-F1196 HydrophobicContact CB-CB 4.49Å; D1193-F1196 HydrophobicContact CB-CD2 4.22Å | ||
| 1194 | K | 34.2 | Very low | 28.7 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 85% | 0.848 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 8.7 | 158.3 | -73.9 | -159.4 | 173.4 | -163 | 0 | 112.4 | N1192 | N1192-K1194 PolarHBondContact O-N 2.9Š|
| 1195 | T | 31.1 | Very low | 28.4 | Very low | 68 Ų | 68 | 129 Ų | 129 | 42% | 0.417 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -9.4 | 170.8 | 40.6 | 0 | 0 | 0 | 0 | 113.7 | D1193 D1198 K1199 | D1193-T1195 PolarHBondContact O-N 3.12Å; T1195-D1198 PolarHBondContact O-N 3.3Å; T1195-K1199 PolarHBondContact O-N 2.66Å |
| 1196 | F | 31.2 | Very low | 28 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | -19.3 | -176.6 | -115.4 | -84.6 | 0 | 0 | 0 | 114.4 | D1193 | D1193-F1196 HydrophobicContact CB-CB 4.49Å; D1193-F1196 HydrophobicContact CB-CD2 4.22Å |
| 1197 | E | 32.8 | Very low | 27.6 | Very low | 147 Ų | 147 | 130 Ų | 130 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -18.9 | 172.1 | -75.4 | -167.2 | 158.5 | 0 | 0 | 113.8 | ||
| 1198 | D | 31.9 | Very low | 27.5 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.5 | -7.7 | -177.4 | -84.6 | -33.4 | 0 | 0 | 0 | 114.2 | R442 T1195 | R442-D1198 IonicContact CZ-OD1 3.63Å; R442-D1198 IonicContact CZ-OD2 3.52Å; R442-D1198 VanDerWaalsContact NH1-CG 3.31Å; R442-D1198 IonicContact NH1-OD1 3.84Å; R442-D1198 PolarHBondContact NH1-OD1 3.15Å; R442-D1198 IonicContact NH1-OD2 2.75Å; R442-D1198 PolarHBondContact NH1-OD2 3.39Å; R442-D1198 IonicContact NH2-OD1 3.23Å; T1195-D1198 PolarHBondContact O-N 3.3Å |
| 1199 | K | 28.5 | Very low | 28.1 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 52% | 0.517 | 66% | 0.66 | S | S | . | * | trans | -111.5 | 9.9 | -173.1 | -79.4 | -170.1 | 177.2 | -177.9 | 0 | 117.9 | E445 T1195 F1201 | E445-K1199 VanDerWaalsContact OE1-CE 3.29Å; E445-K1199 WeakPolarHBondContact OE1-CE 3.26Å; T1195-K1199 PolarHBondContact O-N 2.66Å; K1199-F1201 PolarHBondContact O-N 3.23Å; K1199-F1201 VanDerWaalsContact O-N 3.07Å | ||
| 1200 | L | 28.2 | Very low | 28 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -71.5 | 6.2 | 172.1 | -113 | 152.7 | 0 | 0 | 0 | 114.3 | ||
| 1201 | F | 29.6 | Very low | 28.1 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 74% | 0.737 | 67% | 0.672 | S | S | * | * | trans | -120.2 | 75.4 | 172.9 | -76.5 | -83.3 | 0 | 0 | 0 | 111.4 | K1199 | K1199-F1201 PolarHBondContact O-N 3.23Å; K1199-F1201 VanDerWaalsContact O-N 3.07Å | ||
| 1202 | L | 24.5 | Very low | 28 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -148.9 | 106.3 | 158.9 | -101 | 141.8 | 0 | 0 | 0 | 110.8 | ||
| 1203 | D | 25.2 | Very low | 28 | Very low | 112 Ų | 112 | 133 Ų | 133 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | trans | 68.3 | 66.3 | 153 | -56.5 | -11.6 | 0 | 0 | 0 | 119.4 | H1205 | D1203-H1205 IonicContact OD1-CD2 3.43Å; D1203-H1205 IonicContact OD1-NE2 3.77Å | ||
| 1204 | L | 25.7 | Very low | 27.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 93% | 0.932 | 69% | 0.693 | S | S | * | * | trans | -100.5 | 77.1 | 140.9 | -88.7 | 154.7 | 0 | 0 | 0 | 108.5 | A1206 | L1204-A1206 VanDerWaalsContact C-N 3.34Å; L1204-A1206 PolarHBondContact O-N 2.94Å | ||
| 1205 | H | 23.6 | Very low | 27.7 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | trans | -69.1 | 89 | 167.2 | -81.5 | -67 | 0 | 0 | 0 | 109.8 | D1203 | D1203-H1205 IonicContact OD1-CD2 3.43Å; D1203-H1205 IonicContact OD1-NE2 3.77Å | ||
| 1206 | A | 26.6 | Very low | 27.6 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | trans | -144.3 | 119 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1204 | L1204-A1206 VanDerWaalsContact C-N 3.34Å; L1204-A1206 PolarHBondContact O-N 2.94Å | ||
| 1207 | Q | 22.4 | Very low | 27.5 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 91% | 0.907 | 68% | 0.681 | S | S | * | * | trans | -59.4 | 132.5 | -172.3 | -62.1 | 163.5 | -20 | 0 | 0 | 113.1 | ||||
| 1208 | S | 24.8 | Very low | 27.3 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | 160.1 | 156.4 | 132.7 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1209 | P | 37.3 | Very low | 27.2 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | trans | -119.9 | 169 | -138.8 | 44.9 | -34.9 | 0 | 0 | 0 | 116.5 | ||||
| 1210 | I | 24.3 | Very low | 27.3 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | trans | 73.3 | 93 | 162.7 | -46.9 | 167 | 0 | 0 | 0 | 116.1 | ||||
| 1211 | F | 24.9 | Very low | 27.3 | Very low | 198 Ų | 198 | 121 Ų | 121 | 87% | 0.868 | 66% | 0.656 | S | S | * | * | -170.6 | 136.4 | 121.4 | -96.3 | -71.6 | 0 | 0 | 0 | 108.7 | D1213 | F1211-D1213 PolarHBondContact O-N 3.43Å; F1211-D1213 VanDerWaalsContact O-N 3.15Å | |||
| 1212 | D | 25.4 | Very low | 27.1 | Very low | 149 Ų | 149 | 120 Ų | 120 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -61.2 | 105.1 | -171.6 | -92.4 | -47.1 | 0 | 0 | 0 | 113.6 | N1214 | D1212-N1214 PolarHBondContact O-N 2.9Š| ||
| 1213 | D | 26.2 | Very low | 27.3 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -2.5 | 176.3 | -89.7 | -31.9 | 0 | 0 | 0 | 114.7 | F1211 A1215 A1216 | F1211-D1213 PolarHBondContact O-N 3.43Å; F1211-D1213 VanDerWaalsContact O-N 3.15Å; D1213-A1215 VanDerWaalsContact C-N 3.28Å; D1213-A1215 PolarHBondContact O-N 3.32Å; D1213-A1216 PolarHBondContact O-N 3.07Å |
| 1214 | N | 28.2 | Very low | 27.4 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.9 | -16.9 | -171.7 | -78.1 | -22.5 | 0 | 0 | 0 | 114.9 | D1212 | D1212-N1214 PolarHBondContact O-N 2.9Å |
| 1215 | A | 29.1 | Very low | 27.4 | Very low | 69 Ų | 69 | 114 Ų | 114 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -80 | -24.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1213 S1218 | D1213-A1215 VanDerWaalsContact C-N 3.28Å; D1213-A1215 PolarHBondContact O-N 3.32Å; A1215-S1218 PolarHBondContact O-OG 3.49Å; A1215-S1218 VanDerWaalsContact O-OG 3.13Å |
| 1216 | A | 28.7 | Very low | 27.6 | Very low | 48 Ų | 48 | 108.4 Ų | 108.4 | 40% | 0.397 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -82.7 | -37.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | D1213 S1218 M1219 F1220 | D1213-A1216 PolarHBondContact O-N 3.07Å; A1216-S1218 PolarHBondContact O-N 3.27Å; A1216-M1219 WeakPolarHBondContact O-CB 3.49Å; A1216-M1219 PolarHBondContact O-N 3.18Å; A1216-M1219 VanDerWaalsContact O-N 3.12Å; A1216-F1220 WeakPolarHBondContact O-CD2 3.33Å |
| 1217 | N | 29.1 | Very low | 27.9 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.9 | -27.8 | -179.5 | -76.4 | -15.8 | 0 | 0 | 0 | 113.2 | M1219 F1220 T1221 | N1217-M1219 PolarHBondContact O-N 3.04Å; N1217-F1220 PolarHBondContact O-N 3.25Å; N1217-T1221 PolarHBondContact O-N 2.94Å; N1217-T1221 PolarHBondContact O-OG1 3.38Å |
| 1218 | S | 30.4 | Very low | 28.4 | Very low | 58 Ų | 58 | 105 Ų | 105 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.2 | -19.8 | 169.8 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | A1215 A1216 F1220 | A1215-S1218 PolarHBondContact O-OG 3.49Å; A1215-S1218 VanDerWaalsContact O-OG 3.13Å; A1216-S1218 PolarHBondContact O-N 3.27Å; S1218-F1220 VanDerWaalsContact C-N 3.28Å; S1218-F1220 PolarHBondContact O-N 3.45Å |
| 1219 | M | 28.2 | Very low | 29 | Very low | 106 Ų | 106 | 102.3 Ų | 102.3 | 52% | 0.522 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.8 | -23.4 | 175.4 | -76 | -172.2 | 171.6 | 0 | 0 | 113 | A1216 N1217 | A1216-M1219 WeakPolarHBondContact O-CB 3.49Å; A1216-M1219 PolarHBondContact O-N 3.18Å; A1216-M1219 VanDerWaalsContact O-N 3.12Å; N1217-M1219 PolarHBondContact O-N 3.04Å |
| 1220 | F | 30.3 | Very low | 29.4 | Very low | 117 Ų | 117 | 103.7 Ų | 103.7 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -108.6 | -29 | -172.8 | -69.7 | -73.7 | 0 | 0 | 0 | 114.8 | A1216 N1217 S1218 | A1216-F1220 WeakPolarHBondContact O-CD2 3.33Å; N1217-F1220 PolarHBondContact O-N 3.25Å; S1218-F1220 VanDerWaalsContact C-N 3.28Å; S1218-F1220 PolarHBondContact O-N 3.45Å |
| 1221 | T | 28.4 | Very low | 30.9 | Very low | 77 Ų | 77 | 102.2 Ų | 102.2 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -82.6 | -25.5 | -171.8 | 42.2 | 0 | 0 | 0 | 0 | 114.3 | N1217 V1223 | N1217-T1221 PolarHBondContact O-N 2.94Å; N1217-T1221 PolarHBondContact O-OG1 3.38Å; T1221-V1223 PolarHBondContact O-N 3.48Å |
| 1222 | E | 26.1 | Very low | 32.8 | Very low | 149 Ų | 149 | 95 Ų | 95 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 18.3 | -178.8 | -72.5 | -165.3 | 162 | 0 | 0 | 114.8 | S1224 | E1222-S1224 PolarHBondContact O-N 2.91Š|
| 1223 | V | 28.9 | Very low | 34.9 | Very low | 83 Ų | 83 | 89 Ų | 89 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -71.6 | 87.3 | 160.7 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | T1221 T1225 | T1221-V1223 PolarHBondContact O-N 3.48Å; V1223-T1225 PolarHBondContact O-N 2.97Å |
| 1224 | S | 26.5 | Very low | 36.9 | Very low | 82 Ų | 82 | 83.6 Ų | 83.6 | 57% | 0.573 | 48% | 0.476 | S | S | * | . | trans | -25.9 | 105.2 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | E1222 G1226 | E1222-S1224 PolarHBondContact O-N 2.91Å; S1224-G1226 PolarHBondContact O-N 3.35Å | ||
| 1225 | T | 26 | Very low | 38.9 | Very low | 130 Ų | 130 | 80.5 Ų | 80.5 | 80% | 0.798 | 46% | 0.457 | S | S | * | . | trans | -70.2 | 27 | -174.2 | 59 | 0 | 0 | 0 | 0 | 113.8 | V1223 | V1223-T1225 PolarHBondContact O-N 2.97Š| ||
| 1226 | G | 27.7 | Very low | 41.1 | Very low | 52 Ų | 52 | 79.3 Ų | 79.3 | 54% | 0.536 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -106.3 | 104.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1224 S1228 | S1224-G1226 PolarHBondContact O-N 3.35Å; G1226-S1228 PolarHBondContact O-N 2.92Å; G1226-S1228 PolarHBondContact O-OG 2.84Å |
| 1227 | D | 33.1 | Very low | 43.4 | Very low | 153 Ų | 153 | 77 Ų | 77 | 82% | 0.818 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 43 | -12.8 | 167.5 | -74.7 | -16.7 | 0 | 0 | 0 | 120.7 | ||
| 1228 | S | 33 | Very low | 45.6 | Very low | 48 Ų | 48 | 73.6 Ų | 73.6 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -78.9 | -23.9 | -175.4 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | G1226 R1230 K1231 | G1226-S1228 PolarHBondContact O-N 2.92Å; G1226-S1228 PolarHBondContact O-OG 2.84Å; S1228-R1230 PolarHBondContact O-N 3.36Å; S1228-R1230 VanDerWaalsContact O-N 3.15Å; S1228-K1231 PolarHBondContact O-N 3.06Å; S1228-K1231 VanDerWaalsContact O-N 3.15Å |
| 1229 | C | 37.9 | Very low | 47.7 | Very low | 45 Ų | 45 | 76.4 Ų | 76.4 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -65 | -21.5 | -175.3 | -65 | 0 | 0 | 0 | 0 | 114.1 | S994 | S994-C1229 PolarHBondContact OG-O 3.06Š|
| 1230 | R | 46.3 | Very low | 50 | Low | 139 Ų | 139 | 73.8 Ų | 73.8 | 53% | 0.525 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -79.3 | -20 | 178.6 | -70.1 | -175.2 | 176.7 | 177.6 | -0.8 | 113.4 | S1228 | S1228-R1230 PolarHBondContact O-N 3.36Å; S1228-R1230 VanDerWaalsContact O-N 3.15Å |
| 1231 | K | 55.6 | Low | 51.9 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -95.9 | 133 | -179.7 | -67.8 | -175.7 | -180 | 177.6 | 0 | 109.6 | S1228 L1233 | S1228-K1231 PolarHBondContact O-N 3.06Å; S1228-K1231 VanDerWaalsContact O-N 3.15Å; K1231-L1233 PolarHBondContact O-N 3.42Å |
| 1232 | L | 63.3 | Low | 53.8 | Low | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | trans | -58.4 | 134.2 | 166.1 | -90.7 | 112.3 | 0 | 0 | 0 | 108.3 | T1064 V1234 Q1235 D1236 | T1064-L1232 HydrophobicContact CG2-CD2 4.29Å; L1232-V1234 HydrophobicContact CB-CB 4.42Å; L1232-V1234 PolarHBondContact O-N 3.45Å; L1232-Q1235 HydrophobicContact CB-CG 4.32Å; L1232-Q1235 WeakPolarHBondContact O-CA 3.35Å; L1232-Q1235 WeakPolarHBondContact O-CB 3.38Å; L1232-Q1235 PolarHBondContact O-N 2.9Å; L1232-D1236 PolarHBondContact O-N 2.8Å | ||
| 1233 | L | 70.6 | Confident | 56 | Low | 23 Ų | 23 | 67.4 Ų | 67.4 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -47.9 | -33.8 | 172.8 | -179.7 | 78.1 | 0 | 0 | 0 | 111.8 | S1067 T1068 W1071 L1108 M1111 K1231 Q1235 D1236 A1237 | S1067-L1233 VanDerWaalsContact O-CD2 3.3Å; S1067-L1233 WeakPolarHBondContact O-CD2 3.1Å; T1068-L1233 HydrophobicContact CG2-CB 4.12Å; T1068-L1233 HydrophobicContact CG2-CD2 4.27Å; W1071-L1233 HydrophobicContact CB-CD1 4.46Å; W1071-L1233 HydrophobicContact CB-CD2 3.39Å; W1071-L1233 HydrophobicContact CD2-CD1 3.8Å; W1071-L1233 HydrophobicContact CD2-CD2 4.29Å; W1071-L1233 HydrophobicContact CE3-CD1 4.29Å; W1071-L1233 HydrophobicContact CG-CD1 3.9Å; W1071-L1233 HydrophobicContact CG-CD2 3.74Å; W1071-L1233 HydrophobicContact CG-CG 4.49Å; W1071-L1233 HydrophobicContact CZ2-CD1 4.35Å; L1108-L1233 HydrophobicContact CD1-CD2 3.91Å; L1108-L1233 HydrophobicContact CD1-CG 4.44Å; M1111-L1233 HydrophobicContact CE-CD1 3.9Å; K1231-L1233 PolarHBondContact O-N 3.42Å; L1233-Q1235 VanDerWaalsContact C-N 3.32Å; L1233-Q1235 PolarHBondContact O-N 3.02Å; L1233-D1236 PolarHBondContact O-N 3.24Å; L1233-A1237 WeakPolarHBondContact O-CB 3.41Å; L1233-A1237 PolarHBondContact O-N 3.43Å |
| 1234 | V | 68.4 | Low | 58 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59 | -38.7 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 113 | T1064 S1067 I1104 F1171 L1232 A1237 V1238 | T1064-V1234 HydrophobicContact CG2-CG2 3.96Å; S1067-V1234 WeakPolarHBondContact OG-CG2 3.45Å; I1104-V1234 HydrophobicContact CD1-CG1 3.48Å; I1104-V1234 VanDerWaalsContact CD1-CG1 3.48Å; I1104-V1234 HydrophobicContact CD1-CG2 4.38Å; I1104-V1234 HydrophobicContact CG1-CG1 3.8Å; I1104-V1234 HydrophobicContact CG2-CB 4.49Å; I1104-V1234 HydrophobicContact CG2-CG1 4.16Å; I1104-V1234 HydrophobicContact CG2-CG2 4.13Å; F1171-V1234 HydrophobicContact CE1-CG1 3.4Å; F1171-V1234 HydrophobicContact CE2-CG1 4.39Å; F1171-V1234 HydrophobicContact CZ-CG1 3.31Å; L1232-V1234 HydrophobicContact CB-CB 4.42Å; L1232-V1234 PolarHBondContact O-N 3.45Å; V1234-A1237 PolarHBondContact O-N 3.42Å; V1234-V1238 WeakPolarHBondContact O-CB 3.41Å; V1234-V1238 WeakPolarHBondContact O-CG2 3.4Å; V1234-V1238 PolarHBondContact O-N 3.39Å |
| 1235 | Q | 70.6 | Confident | 60.3 | Low | 61 Ų | 61 | 66.9 Ų | 66.9 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 175.5 | -65.5 | 177.7 | -11.5 | 0 | 0 | 110.5 | L1232 L1233 A1237 V1238 N1239 | L1232-Q1235 HydrophobicContact CB-CG 4.32Å; L1232-Q1235 WeakPolarHBondContact O-CA 3.35Å; L1232-Q1235 WeakPolarHBondContact O-CB 3.38Å; L1232-Q1235 PolarHBondContact O-N 2.9Å; L1233-Q1235 VanDerWaalsContact C-N 3.32Å; L1233-Q1235 PolarHBondContact O-N 3.02Å; Q1235-A1237 VanDerWaalsContact C-N 3.32Å; Q1235-A1237 PolarHBondContact O-N 2.98Å; Q1235-V1238 PolarHBondContact O-N 3.35Å; Q1235-N1239 WeakPolarHBondContact O-CB 3.38Å; Q1235-N1239 PolarHBondContact O-N 3.48Å; Q1235-N1239 PolarHBondContact O-ND2 3.4Å |
| 1236 | D | 73.4 | Confident | 62.5 | Low | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 177.4 | -73.2 | -14.6 | 0 | 0 | 0 | 112.2 | M1111 L1232 L1233 Q1240 | M1111-D1236 HydrophobicContact CE-CB 4.32Å; M1111-D1236 HydrophobicContact SD-CB 4.44Å; L1232-D1236 PolarHBondContact O-N 2.8Å; L1233-D1236 PolarHBondContact O-N 3.24Å; D1236-Q1240 WeakPolarHBondContact O-CG 3.46Å; D1236-Q1240 PolarHBondContact O-N 2.87Å; D1236-Q1240 PolarHBondContact O-NE2 2.86Å |
| 1237 | A | 77.4 | Confident | 64.6 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -52.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1104 G1107 L1108 M1111 L1233 V1234 Q1235 N1239 Q1240 | I1104-A1237 HydrophobicContact CG2-CB 4.2Å; G1107-A1237 WeakPolarHBondContact CA-O 3.36Å; L1108-A1237 HydrophobicContact CB-CB 4.37Å; M1111-A1237 HydrophobicContact SD-CB 4.25Å; L1233-A1237 WeakPolarHBondContact O-CB 3.41Å; L1233-A1237 PolarHBondContact O-N 3.43Å; V1234-A1237 PolarHBondContact O-N 3.42Å; Q1235-A1237 VanDerWaalsContact C-N 3.32Å; Q1235-A1237 PolarHBondContact O-N 2.98Å; A1237-N1239 PolarHBondContact O-N 2.92Å; A1237-Q1240 WeakPolarHBondContact O-CB 3.19Å; A1237-Q1240 WeakPolarHBondContact O-CG 3.21Å; A1237-Q1240 PolarHBondContact O-N 2.93Å |
| 1238 | V | 75.5 | Confident | 66.7 | Low | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -31.8 | 179.2 | 159 | 0 | 0 | 0 | 0 | 112.7 | M1103 I1104 P1169 F1171 V1234 Q1235 Q1240 | M1103-V1238 HydrophobicContact CE-CB 4.05Å; M1103-V1238 HydrophobicContact CE-CG1 3.37Å; M1103-V1238 HydrophobicContact CE-CG2 3.89Å; I1104-V1238 HydrophobicContact CG1-CG2 4.09Å; P1169-V1238 HydrophobicContact CG-CG2 3.87Å; F1171-V1238 HydrophobicContact CE2-CB 4.15Å; F1171-V1238 HydrophobicContact CE2-CG1 4.09Å; F1171-V1238 HydrophobicContact CE2-CG2 3.84Å; F1171-V1238 HydrophobicContact CZ-CB 4.45Å; F1171-V1238 HydrophobicContact CZ-CG2 3.7Å; V1234-V1238 WeakPolarHBondContact O-CB 3.41Å; V1234-V1238 WeakPolarHBondContact O-CG2 3.4Å; V1234-V1238 PolarHBondContact O-N 3.39Å; Q1235-V1238 PolarHBondContact O-N 3.35Å; V1238-Q1240 VanDerWaalsContact C-N 3.26Å; V1238-Q1240 PolarHBondContact O-N 2.89Å |
| 1239 | N | 74.7 | Confident | 68.9 | Low | 116 Ų | 116 | 54.7 Ų | 54.7 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.1 | 177.8 | -69.8 | -34.5 | 0 | 0 | 0 | 114 | Q1235 A1237 | Q1235-N1239 WeakPolarHBondContact O-CB 3.38Å; Q1235-N1239 PolarHBondContact O-N 3.48Å; Q1235-N1239 PolarHBondContact O-ND2 3.4Å; A1237-N1239 PolarHBondContact O-N 2.92Å |
| 1240 | Q | 75.9 | Confident | 70.8 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68.1 | 139.1 | 175.5 | -65.8 | -54.1 | -55.3 | 0 | 0 | 111 | G1107 T1110 M1111 D1236 A1237 V1238 V1242 | G1107-Q1240 WeakPolarHBondContact O-CG 3.38Å; T1110-Q1240 HydrophobicContact CG2-CB 4.4Å; M1111-Q1240 HydrophobicContact CG-CG 3.66Å; M1111-Q1240 HydrophobicContact SD-CG 4.25Å; D1236-Q1240 WeakPolarHBondContact O-CG 3.46Å; D1236-Q1240 PolarHBondContact O-N 2.87Å; D1236-Q1240 PolarHBondContact O-NE2 2.86Å; A1237-Q1240 WeakPolarHBondContact O-CB 3.19Å; A1237-Q1240 WeakPolarHBondContact O-CG 3.21Å; A1237-Q1240 PolarHBondContact O-N 2.93Å; V1238-Q1240 VanDerWaalsContact C-N 3.26Å; V1238-Q1240 PolarHBondContact O-N 2.89Å; Q1240-V1242 PolarHBondContact O-N 3.37Å |
| 1241 | P | 70.5 | Confident | 72.4 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 63% | 0.63 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 136.4 | 176.8 | 26.3 | -33.6 | 0 | 0 | 0 | 110.4 | P1243 | P1241-P1243 VanDerWaalsContact O-CD 3.27Å; P1241-P1243 WeakPolarHBondContact O-CD 3.39Å |
| 1242 | V | 69.5 | Low | 73.9 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -64.8 | 118.5 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | Q1240 | Q1240-V1242 PolarHBondContact O-N 3.37Š|
| 1243 | P | 71.4 | Confident | 75 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 146.7 | -179 | 0.7 | 8.7 | 0 | 0 | 0 | 110.4 | Y1158 P1241 M1245 I1248 W1306 | Y1158-P1243 WeakPolarHBondContact OH-CG 3.4Å; P1241-P1243 VanDerWaalsContact O-CD 3.27Å; P1241-P1243 WeakPolarHBondContact O-CD 3.39Å; P1243-M1245 PolarHBondContact O-N 3.44Å; P1243-I1248 HydrophobicContact CB-CD1 3.81Å; P1243-I1248 HydrophobicContact CB-CG1 4.06Å; P1243-I1248 HydrophobicContact CG-CD1 3.98Å; P1243-W1306 HydrophobicContact CB-CH2 3.06Å; P1243-W1306 HydrophobicContact CB-CZ2 3.49Å; P1243-W1306 VanDerWaalsContact CB-CZ2 3.49Å; P1243-W1306 HydrophobicContact CB-CZ3 3.97Å; P1243-W1306 HydrophobicContact CG-CH2 4.46Å |
| 1244 | N | 70.9 | Confident | 75.7 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 32% | 0.321 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 119.6 | 177 | 173.1 | 10.7 | 0 | 0 | 0 | 111.3 | L1246 S1247 I1248 W1306 | N1244-L1246 PolarHBondContact O-N 3.14Å; N1244-L1246 VanDerWaalsContact O-N 3.08Å; N1244-L1246 PolarHBondContact OD1-N 3.12Å; N1244-S1247 PolarHBondContact O-N 3.49Å; N1244-I1248 PolarHBondContact O-N 2.9Å; N1244-W1306 HydrophobicContact CB-CE3 3.74Å; N1244-W1306 HydrophobicContact CB-CZ3 3.5Å; N1244-W1306 VanDerWaalsContact CB-CZ3 3.5Å; N1244-W1306 VanDerWaalsContact O-CZ3 3.23Å; N1244-W1306 WeakPolarHBondContact O-CZ3 3.35Å |
| 1245 | M | 75.1 | Confident | 76.6 | Confident | 94 Ų | 94 | 40.9 Ų | 40.9 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.8 | -36.7 | -175.3 | -173.3 | 174.3 | 170 | 0 | 0 | 113.6 | Q1163 P1243 S1247 I1248 I1249 | Q1163-M1245 HydrophobicContact CG-CE 3.49Å; Q1163-M1245 VanDerWaalsContact CG-CE 3.49Å; Q1163-M1245 HydrophobicContact CG-SD 4.36Å; P1243-M1245 PolarHBondContact O-N 3.44Å; M1245-S1247 VanDerWaalsContact C-N 3.29Å; M1245-S1247 PolarHBondContact O-N 3.37Å; M1245-I1248 PolarHBondContact O-N 3.34Å; M1245-I1249 HydrophobicContact CE-CD1 3.97Å; M1245-I1249 HydrophobicContact CG-CD1 3.9Å; M1245-I1249 WeakPolarHBondContact O-CD1 3.36Å; M1245-I1249 VanDerWaalsContact O-CG1 3.27Å; M1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; M1245-I1249 PolarHBondContact O-N 3.16Å; M1245-I1249 VanDerWaalsContact O-N 3.14Å |
| 1246 | L | 71.7 | Confident | 77.4 | Confident | 90 Ų | 90 | 38.1 Ų | 38.1 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -34.5 | 179.2 | -73.2 | 168.5 | 0 | 0 | 0 | 112.9 | N1244 S1250 V1311 | N1244-L1246 PolarHBondContact O-N 3.14Å; N1244-L1246 VanDerWaalsContact O-N 3.08Å; N1244-L1246 PolarHBondContact OD1-N 3.12Å; L1246-S1250 PolarHBondContact O-N 3.37Å; L1246-S1250 VanDerWaalsContact O-N 3.11Å; L1246-V1311 HydrophobicContact CB-CG2 4.44Å |
| 1247 | S | 72.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.5 | -37.4 | -179.8 | 123 | 0 | 0 | 0 | 0 | 111.5 | N1244 M1245 I1249 S1250 W1251 W1306 | N1244-S1247 PolarHBondContact O-N 3.49Å; M1245-S1247 VanDerWaalsContact C-N 3.29Å; M1245-S1247 PolarHBondContact O-N 3.37Å; S1247-I1249 PolarHBondContact O-N 3.3Å; S1247-S1250 WeakPolarHBondContact CA-OG 3.45Å; S1247-S1250 PolarHBondContact O-N 2.82Å; S1247-S1250 VanDerWaalsContact O-N 3.08Å; S1247-S1250 PolarHBondContact O-OG 2.99Å; S1247-W1251 PolarHBondContact O-N 3.39Å; S1247-W1306 WeakPolarHBondContact OG-CH2 3.15Å; S1247-W1306 WeakPolarHBondContact OG-CZ3 3.4Å |
| 1248 | I | 77.6 | Confident | 78.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.9 | -58.2 | 160.5 | 0 | 0 | 0 | 109.4 | F1155 Y1158 C1162 P1243 N1244 M1245 S1250 W1251 E1252 W1306 | F1155-I1248 HydrophobicContact CD1-CG2 4.35Å; Y1158-I1248 HydrophobicContact CD1-CG2 3.95Å; Y1158-I1248 HydrophobicContact CE1-CD1 4.44Å; Y1158-I1248 HydrophobicContact CE1-CG1 4.15Å; Y1158-I1248 HydrophobicContact CE1-CG2 4.19Å; C1162-I1248 HydrophobicContact CB-CD1 3.5Å; C1162-I1248 WeakPolarHBondContact SG-CD1 3.34Å; P1243-I1248 HydrophobicContact CB-CD1 3.81Å; P1243-I1248 HydrophobicContact CB-CG1 4.06Å; P1243-I1248 HydrophobicContact CG-CD1 3.98Å; N1244-I1248 PolarHBondContact O-N 2.9Å; M1245-I1248 PolarHBondContact O-N 3.34Å; I1248-S1250 VanDerWaalsContact C-N 3.31Å; I1248-S1250 PolarHBondContact O-N 3.22Å; I1248-W1251 PolarHBondContact O-N 2.93Å; I1248-E1252 WeakPolarHBondContact O-CB 3.33Å; I1248-E1252 PolarHBondContact O-N 2.74Å; I1248-W1306 HydrophobicContact CG1-CH2 4.16Å |
| 1249 | I | 79.2 | Confident | 79.2 | Confident | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.9 | -70.9 | 168.6 | 0 | 0 | 0 | 111.5 | M1245 S1247 Q1253 H1389 | M1245-I1249 HydrophobicContact CE-CD1 3.97Å; M1245-I1249 HydrophobicContact CG-CD1 3.9Å; M1245-I1249 WeakPolarHBondContact O-CD1 3.36Å; M1245-I1249 VanDerWaalsContact O-CG1 3.27Å; M1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; M1245-I1249 PolarHBondContact O-N 3.16Å; M1245-I1249 VanDerWaalsContact O-N 3.14Å; S1247-I1249 PolarHBondContact O-N 3.3Å; I1249-Q1253 VanDerWaalsContact O-CG 3.25Å; I1249-Q1253 WeakPolarHBondContact O-CG 3.35Å; I1249-Q1253 PolarHBondContact O-N 3.24Å; I1249-Q1253 VanDerWaalsContact O-N 3.15Å; I1249-Q1253 PolarHBondContact O-NE2 3.11Å; I1249-Q1253 VanDerWaalsContact O-NE2 3.13Å; I1249-H1389 WeakPolarHBondContact CG2-ND1 3.38Å |
| 1250 | S | 76.7 | Confident | 79.9 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.6 | -37.9 | 177 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | L1246 S1247 I1248 Q1253 L1254 | L1246-S1250 PolarHBondContact O-N 3.37Å; L1246-S1250 VanDerWaalsContact O-N 3.11Å; S1247-S1250 WeakPolarHBondContact CA-OG 3.45Å; S1247-S1250 PolarHBondContact O-N 2.82Å; S1247-S1250 VanDerWaalsContact O-N 3.08Å; S1247-S1250 PolarHBondContact O-OG 2.99Å; I1248-S1250 VanDerWaalsContact C-N 3.31Å; I1248-S1250 PolarHBondContact O-N 3.22Å; S1250-Q1253 PolarHBondContact O-N 3.46Å; S1250-L1254 WeakPolarHBondContact O-CB 3.36Å; S1250-L1254 PolarHBondContact O-N 3.36Å |
| 1251 | W | 80.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.5 | -78.4 | 114.2 | 0 | 0 | 0 | 112.6 | W1113 I1121 F1155 S1247 I1248 Q1253 L1254 I1255 | W1113-W1251 HydrophobicContact CH2-CE3 4.37Å; W1113-W1251 HydrophobicContact CZ2-CD2 4.07Å; W1113-W1251 HydrophobicContact CZ2-CE3 4.23Å; W1113-W1251 HydrophobicContact CZ2-CG 4.48Å; I1121-W1251 HydrophobicContact CD1-CE3 3.94Å; I1121-W1251 HydrophobicContact CD1-CH2 3.65Å; I1121-W1251 HydrophobicContact CD1-CZ2 4.45Å; I1121-W1251 HydrophobicContact CD1-CZ3 3.36Å; I1121-W1251 HydrophobicContact CG1-CZ3 4.26Å; I1121-W1251 HydrophobicContact CG2-CH2 4.36Å; I1121-W1251 HydrophobicContact CG2-CZ3 3.83Å; F1155-W1251 HydrophobicContact CD1-CB 4.14Å; F1155-W1251 HydrophobicContact CE1-CB 3.45Å; F1155-W1251 VanDerWaalsContact CE1-CB 3.45Å; F1155-W1251 HydrophobicContact CE1-CG 4.34Å; F1155-W1251 HydrophobicContact CZ-CB 3.92Å; S1247-W1251 PolarHBondContact O-N 3.39Å; I1248-W1251 PolarHBondContact O-N 2.93Å; W1251-Q1253 VanDerWaalsContact C-N 3.31Å; W1251-Q1253 PolarHBondContact O-N 3.43Å; W1251-L1254 HydrophobicContact CE3-CD2 3.87Å; W1251-L1254 HydrophobicContact CZ3-CD2 3.59Å; W1251-L1254 PolarHBondContact O-N 3.07Å; W1251-I1255 WeakPolarHBondContact O-CB 3.44Å; W1251-I1255 WeakPolarHBondContact O-CG1 3.48Å; W1251-I1255 PolarHBondContact O-N 2.91Å |
| 1252 | E | 86.3 | Confident | 80.9 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 175.1 | -177.9 | 170.9 | -161.9 | 0 | 0 | 110.5 | F1155 S1159 I1248 I1256 H1389 | F1155-E1252 HydrophobicContact CB-CB 4.11Å; F1155-E1252 HydrophobicContact CB-CG 4.11Å; F1155-E1252 HydrophobicContact CD1-CB 4.22Å; F1155-E1252 HydrophobicContact CG-CB 4.48Å; S1159-E1252 WeakPolarHBondContact CB-OE2 3.42Å; S1159-E1252 PolarHBondContact OG-OE2 3Å; I1248-E1252 WeakPolarHBondContact O-CB 3.33Å; I1248-E1252 PolarHBondContact O-N 2.74Å; E1252-I1256 HydrophobicContact CG-CD1 4.06Å; E1252-I1256 WeakPolarHBondContact O-CD1 3.25Å; E1252-I1256 WeakPolarHBondContact O-CG1 3.43Å; E1252-I1256 PolarHBondContact O-N 3.48Å; E1252-I1256 VanDerWaalsContact O-N 3.1Å; E1252-H1389 IonicContact OE2-NE2 3.73Å |
| 1253 | Q | 86.8 | Confident | 81.5 | Confident | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.1 | -70.6 | 170.8 | 60.2 | 0 | 0 | 112.4 | I1249 S1250 W1251 I1255 I1256 V1257 F1290 L1386 H1389 | I1249-Q1253 VanDerWaalsContact O-CG 3.25Å; I1249-Q1253 WeakPolarHBondContact O-CG 3.35Å; I1249-Q1253 PolarHBondContact O-N 3.24Å; I1249-Q1253 VanDerWaalsContact O-N 3.15Å; I1249-Q1253 PolarHBondContact O-NE2 3.11Å; I1249-Q1253 VanDerWaalsContact O-NE2 3.13Å; S1250-Q1253 PolarHBondContact O-N 3.46Å; W1251-Q1253 VanDerWaalsContact C-N 3.31Å; W1251-Q1253 PolarHBondContact O-N 3.43Å; Q1253-I1255 VanDerWaalsContact C-N 3.33Å; Q1253-I1255 PolarHBondContact O-N 2.69Å; Q1253-I1256 PolarHBondContact O-N 3.33Å; Q1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Q1253-V1257 PolarHBondContact O-N 3.27Å; Q1253-V1257 VanDerWaalsContact O-N 3.1Å; Q1253-F1290 HydrophobicContact CB-CE1 3.71Å; Q1253-F1290 HydrophobicContact CB-CZ 3.98Å; Q1253-L1386 HydrophobicContact CB-CD2 3.89Å; Q1253-L1386 HydrophobicContact CG-CD2 3.78Å; Q1253-H1389 HydrophobicContact CG-CB 4.11Å |
| 1254 | L | 85.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | -178.6 | 179.4 | 67 | 0 | 0 | 0 | 111.4 | L1125 S1250 W1251 V1257 A1258 F1290 L1298 | L1125-L1254 HydrophobicContact CD1-CD2 4.22Å; L1125-L1254 HydrophobicContact CD2-CD1 3.88Å; L1125-L1254 HydrophobicContact CD2-CD2 4.14Å; L1125-L1254 HydrophobicContact CD2-CG 4.13Å; S1250-L1254 WeakPolarHBondContact O-CB 3.36Å; S1250-L1254 PolarHBondContact O-N 3.36Å; W1251-L1254 HydrophobicContact CE3-CD2 3.87Å; W1251-L1254 HydrophobicContact CZ3-CD2 3.59Å; W1251-L1254 PolarHBondContact O-N 3.07Å; L1254-V1257 PolarHBondContact O-N 3.16Å; L1254-A1258 VanDerWaalsContact O-CB 3.27Å; L1254-A1258 WeakPolarHBondContact O-CB 3.34Å; L1254-A1258 PolarHBondContact O-N 3.32Å; L1254-F1290 HydrophobicContact CB-CZ 4.12Å; L1254-F1290 HydrophobicContact CD1-CD2 4.4Å; L1254-F1290 HydrophobicContact CD1-CE2 3.81Å; L1254-F1290 HydrophobicContact CD1-CZ 4.26Å; L1254-L1298 HydrophobicContact CB-CD2 4.29Å; L1254-L1298 HydrophobicContact CD1-CD1 4.47Å; L1254-L1298 HydrophobicContact CD2-CB 4.27Å; L1254-L1298 HydrophobicContact CD2-CD2 3.77Å; L1254-L1298 HydrophobicContact CD2-CG 4.44Å; L1254-L1298 HydrophobicContact CG-CD2 4.5Å |
| 1255 | I | 87.3 | Confident | 82.5 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | -178.4 | -75.7 | 168 | 0 | 0 | 0 | 111.1 | W1113 L1151 I1152 F1155 W1251 Q1253 V1257 S1259 | W1113-I1255 HydrophobicContact CH2-CD1 4.2Å; W1113-I1255 HydrophobicContact CZ3-CD1 4.46Å; L1151-I1255 HydrophobicContact CB-CG2 3.71Å; I1152-I1255 HydrophobicContact CG1-CG2 4.22Å; F1155-I1255 HydrophobicContact CD2-CD1 3.18Å; F1155-I1255 HydrophobicContact CD2-CG1 4.48Å; F1155-I1255 HydrophobicContact CE1-CD1 4.37Å; F1155-I1255 HydrophobicContact CE2-CD1 2.96Å; F1155-I1255 HydrophobicContact CE2-CG1 4.45Å; F1155-I1255 HydrophobicContact CG-CD1 4.01Å; F1155-I1255 HydrophobicContact CZ-CD1 3.62Å; W1251-I1255 WeakPolarHBondContact O-CB 3.44Å; W1251-I1255 WeakPolarHBondContact O-CG1 3.48Å; W1251-I1255 PolarHBondContact O-N 2.91Å; Q1253-I1255 VanDerWaalsContact C-N 3.33Å; Q1253-I1255 PolarHBondContact O-N 2.69Å; I1255-V1257 PolarHBondContact O-N 3.27Å; I1255-S1259 WeakPolarHBondContact O-CB 3.2Å; I1255-S1259 PolarHBondContact O-N 3.24Å; I1255-S1259 PolarHBondContact O-OG 3.37Å |
| 1256 | I | 88.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.2 | -65.5 | 163.1 | 0 | 0 | 0 | 110.2 | E1252 Q1253 S1260 L1386 | E1252-I1256 HydrophobicContact CG-CD1 4.06Å; E1252-I1256 WeakPolarHBondContact O-CD1 3.25Å; E1252-I1256 WeakPolarHBondContact O-CG1 3.43Å; E1252-I1256 PolarHBondContact O-N 3.48Å; E1252-I1256 VanDerWaalsContact O-N 3.1Å; Q1253-I1256 PolarHBondContact O-N 3.33Å; I1256-S1260 WeakPolarHBondContact O-CB 3.45Å; I1256-S1260 PolarHBondContact O-N 3.16Å; I1256-S1260 PolarHBondContact O-OG 3.48Å; I1256-L1386 HydrophobicContact CB-CD1 4.1Å; I1256-L1386 HydrophobicContact CB-CD2 4.34Å; I1256-L1386 HydrophobicContact CB-CG 4.22Å; I1256-L1386 HydrophobicContact CD1-CD2 4.19Å; I1256-L1386 HydrophobicContact CD1-CG 4.03Å; I1256-L1386 HydrophobicContact CG2-CD1 3.38Å; I1256-L1386 HydrophobicContact CG2-CD2 4.46Å; I1256-L1386 HydrophobicContact CG2-CG 3.84Å |
| 1257 | V | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.7 | -50.3 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | Q1253 L1254 I1255 S1259 S1260 F1261 P1286 F1289 F1290 F1326 L1386 W1390 | Q1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Q1253-V1257 PolarHBondContact O-N 3.27Å; Q1253-V1257 VanDerWaalsContact O-N 3.1Å; L1254-V1257 PolarHBondContact O-N 3.16Å; I1255-V1257 PolarHBondContact O-N 3.27Å; V1257-S1259 PolarHBondContact O-N 3.19Å; V1257-S1260 PolarHBondContact O-N 3.12Å; V1257-S1260 PolarHBondContact O-OG 2.89Å; V1257-F1261 HydrophobicContact CG1-CE1 4.29Å; V1257-F1261 WeakPolarHBondContact O-CD1 3.46Å; V1257-F1261 PolarHBondContact O-N 3.27Å; V1257-F1261 VanDerWaalsContact O-N 3.15Å; V1257-P1286 HydrophobicContact CG1-CB 4.03Å; V1257-F1289 HydrophobicContact CG1-CD2 3.96Å; V1257-F1290 HydrophobicContact CB-CE2 4.46Å; V1257-F1290 HydrophobicContact CG2-CE2 4.34Å; V1257-F1290 HydrophobicContact CG2-CZ 4.23Å; V1257-F1326 HydrophobicContact CB-CZ 4.24Å; V1257-F1326 HydrophobicContact CG1-CE2 4.13Å; V1257-F1326 HydrophobicContact CG1-CZ 4.26Å; V1257-F1326 HydrophobicContact CG2-CE1 4.01Å; V1257-F1326 HydrophobicContact CG2-CE2 4.48Å; V1257-F1326 HydrophobicContact CG2-CZ 3.91Å; V1257-L1386 HydrophobicContact CG2-CD1 4.37Å; V1257-W1390 HydrophobicContact CG2-CH2 4.2Å; V1257-W1390 HydrophobicContact CG2-CZ2 4.17Å |
| 1258 | A | 87 | Confident | 83.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1124 L1125 L1254 S1260 F1261 I1262 | I1124-A1258 HydrophobicContact CG2-CB 3.71Å; L1125-A1258 HydrophobicContact CD2-CB 3.96Å; L1254-A1258 VanDerWaalsContact O-CB 3.27Å; L1254-A1258 WeakPolarHBondContact O-CB 3.34Å; L1254-A1258 PolarHBondContact O-N 3.32Å; A1258-S1260 VanDerWaalsContact C-N 3.31Å; A1258-S1260 PolarHBondContact O-N 2.91Å; A1258-F1261 WeakPolarHBondContact O-CB 3.21Å; A1258-F1261 PolarHBondContact O-N 3.12Å; A1258-F1261 VanDerWaalsContact O-N 3.15Å; A1258-I1262 WeakPolarHBondContact O-CG1 3.27Å; A1258-I1262 PolarHBondContact O-N 3.17Å; A1258-I1262 VanDerWaalsContact O-N 3.15Å |
| 1259 | S | 88.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | A1148 I1255 V1257 F1261 I1262 I1263 | A1148-S1259 PolarHBondContact O-OG 2.99Å; I1255-S1259 WeakPolarHBondContact O-CB 3.2Å; I1255-S1259 PolarHBondContact O-N 3.24Å; I1255-S1259 PolarHBondContact O-OG 3.37Å; V1257-S1259 PolarHBondContact O-N 3.19Å; S1259-F1261 VanDerWaalsContact C-N 3.27Å; S1259-F1261 PolarHBondContact O-N 3.09Å; S1259-I1262 PolarHBondContact O-N 3.16Å; S1259-I1263 WeakPolarHBondContact O-CG1 3.17Å; S1259-I1263 PolarHBondContact O-N 2.55Å; S1259-I1263 VanDerWaalsContact O-N 3.12Å |
| 1260 | S | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -34.5 | 175.5 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | I1256 V1257 A1258 F1264 F1326 | I1256-S1260 WeakPolarHBondContact O-CB 3.45Å; I1256-S1260 PolarHBondContact O-N 3.16Å; I1256-S1260 PolarHBondContact O-OG 3.48Å; V1257-S1260 PolarHBondContact O-N 3.12Å; V1257-S1260 PolarHBondContact O-OG 2.89Å; A1258-S1260 VanDerWaalsContact C-N 3.31Å; A1258-S1260 PolarHBondContact O-N 2.91Å; S1260-F1264 WeakPolarHBondContact O-CB 3.38Å; S1260-F1264 PolarHBondContact O-N 3.12Å; S1260-F1326 WeakPolarHBondContact OG-CE2 3.43Å; S1260-F1326 WeakPolarHBondContact OG-CZ 3.42Å |
| 1261 | F | 86.2 | Confident | 81.7 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.9 | -36.2 | 178.2 | -82.2 | 24.8 | 0 | 0 | 0 | 112.1 | V1257 A1258 S1259 G1265 R1266 P1267 Y1284 P1286 F1289 F1326 W1329 | V1257-F1261 HydrophobicContact CG1-CE1 4.29Å; V1257-F1261 WeakPolarHBondContact O-CD1 3.46Å; V1257-F1261 PolarHBondContact O-N 3.27Å; V1257-F1261 VanDerWaalsContact O-N 3.15Å; A1258-F1261 WeakPolarHBondContact O-CB 3.21Å; A1258-F1261 PolarHBondContact O-N 3.12Å; A1258-F1261 VanDerWaalsContact O-N 3.15Å; S1259-F1261 VanDerWaalsContact C-N 3.27Å; S1259-F1261 PolarHBondContact O-N 3.09Å; F1261-G1265 WeakPolarHBondContact CA-O 3.39Å; F1261-G1265 CarbonylContact O-C 3.59Å; F1261-G1265 WeakPolarHBondContact O-CA 3.4Å; F1261-G1265 PolarHBondContact O-N 3.21Å; F1261-G1265 VanDerWaalsContact O-N 3.11Å; F1261-R1266 HydrophobicContact CD2-CG 3.97Å; F1261-R1266 HydrophobicContact CE2-CG 4.3Å; F1261-P1267 HydrophobicContact CE1-CG 3.58Å; F1261-P1267 HydrophobicContact CZ-CG 3.62Å; F1261-Y1284 VanDerWaalsContact CE2-O 3.28Å; F1261-Y1284 WeakPolarHBondContact CE2-O 3.03Å; F1261-P1286 HydrophobicContact CD2-CG 3.58Å; F1261-P1286 HydrophobicContact CE2-CG 3.86Å; F1261-P1286 HydrophobicContact CG-CG 4.38Å; F1261-F1289 HydrophobicContact CE1-CE2 4.22Å; F1261-F1289 HydrophobicContact CZ-CD2 4.47Å; F1261-F1289 AromaticContact CZ-CE2 3.6Å; F1261-F1289 HydrophobicContact CZ-CE2 3.6Å; F1261-F1289 HydrophobicContact CZ-CZ 4.3Å; F1261-F1326 HydrophobicContact CD1-CE2 4.19Å; F1261-F1326 HydrophobicContact CE1-CD2 4.12Å; F1261-F1326 AromaticContact CE1-CE2 3.66Å; F1261-F1326 HydrophobicContact CE1-CE2 3.66Å; F1261-W1329 HydrophobicContact CD1-CH2 4.21Å; F1261-W1329 HydrophobicContact CD1-CZ3 4.31Å; F1261-W1329 HydrophobicContact CE1-CH2 4.45Å; F1261-W1329 HydrophobicContact CE1-CZ3 4.33Å |
| 1262 | I | 81.6 | Confident | 80.3 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -40.5 | 177.4 | -63.9 | 179 | 0 | 0 | 0 | 110.7 | I1124 I1127 L1145 A1148 A1258 S1259 | I1124-I1262 HydrophobicContact CB-CD1 3.94Å; I1124-I1262 HydrophobicContact CG1-CD1 3.93Å; I1124-I1262 HydrophobicContact CG2-CD1 3.68Å; I1127-I1262 HydrophobicContact CB-CD1 4.33Å; I1127-I1262 HydrophobicContact CB-CG1 4.24Å; I1127-I1262 HydrophobicContact CG2-CB 4.46Å; I1127-I1262 HydrophobicContact CG2-CD1 4.23Å; I1127-I1262 HydrophobicContact CG2-CG1 3.7Å; I1127-I1262 HydrophobicContact CG2-CG2 4.36Å; L1145-I1262 HydrophobicContact CD2-CG2 3.85Å; L1145-I1262 HydrophobicContact CG-CG2 3.94Å; A1148-I1262 HydrophobicContact CB-CD1 4.35Å; A1258-I1262 WeakPolarHBondContact O-CG1 3.27Å; A1258-I1262 PolarHBondContact O-N 3.17Å; A1258-I1262 VanDerWaalsContact O-N 3.15Å; S1259-I1262 PolarHBondContact O-N 3.16Å |
| 1263 | I | 82.4 | Confident | 78.2 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -85.7 | -46.6 | -173.3 | -63.5 | 175.6 | 0 | 0 | 0 | 112.4 | L1145 V1149 S1259 I1375 F1379 | L1145-I1263 HydrophobicContact CD2-CG1 4.22Å; V1149-I1263 HydrophobicContact CG2-CD1 3.26Å; V1149-I1263 HydrophobicContact CG2-CG1 4.44Å; S1259-I1263 WeakPolarHBondContact O-CG1 3.17Å; S1259-I1263 PolarHBondContact O-N 2.55Å; S1259-I1263 VanDerWaalsContact O-N 3.12Å; I1263-I1375 HydrophobicContact CG2-CG2 4.2Å; I1263-F1379 HydrophobicContact CD1-CE2 3.32Å; I1263-F1379 HydrophobicContact CD1-CZ 3.36Å; I1263-F1379 HydrophobicContact CG1-CZ 4.43Å |
| 1264 | F | 83.3 | Confident | 76 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -101.4 | -1.9 | -173.9 | -54.9 | -59.1 | 0 | 0 | 0 | 113.8 | S1260 W1329 L1330 K1333 Y1337 I1375 F1379 | S1260-F1264 WeakPolarHBondContact O-CB 3.38Å; S1260-F1264 PolarHBondContact O-N 3.12Å; F1264-W1329 HydrophobicContact CB-CH2 3.92Å; F1264-W1329 HydrophobicContact CB-CZ2 4.11Å; F1264-L1330 HydrophobicContact CD2-CD1 3.98Å; F1264-L1330 HydrophobicContact CE2-CD1 3.87Å; F1264-K1333 HydrophobicContact CB-CB 3.93Å; F1264-K1333 HydrophobicContact CB-CG 4.11Å; F1264-K1333 HydrophobicContact CD1-CB 3.98Å; F1264-K1333 HydrophobicContact CD2-CB 4.21Å; F1264-K1333 HydrophobicContact CG-CB 3.78Å; F1264-Y1337 HydrophobicContact CE1-CD2 4.34Å; F1264-Y1337 HydrophobicContact CE1-CG 4.12Å; F1264-I1375 HydrophobicContact CE1-CG2 4.13Å; F1264-I1375 HydrophobicContact CZ-CG2 3.79Å; F1264-F1379 HydrophobicContact CE2-CB 4.18Å; F1264-F1379 AromaticContact CE2-CD1 3.93Å; F1264-F1379 HydrophobicContact CE2-CD1 3.93Å; F1264-F1379 HydrophobicContact CE2-CD2 4.02Å; F1264-F1379 HydrophobicContact CE2-CE1 4.3Å; F1264-F1379 HydrophobicContact CE2-CE2 4.43Å; F1264-F1379 AromaticContact CE2-CG 3.76Å; F1264-F1379 HydrophobicContact CE2-CG 3.76Å; F1264-F1379 HydrophobicContact CZ-CB 4.44Å; F1264-F1379 HydrophobicContact CZ-CD2 4.12Å; F1264-F1379 HydrophobicContact CZ-CG 4.19Å |
| 1265 | G | 80.3 | Confident | 74.1 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | trans | 82.1 | -175.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1261 W1329 | F1261-G1265 WeakPolarHBondContact CA-O 3.39Å; F1261-G1265 CarbonylContact O-C 3.59Å; F1261-G1265 WeakPolarHBondContact O-CA 3.4Å; F1261-G1265 PolarHBondContact O-N 3.21Å; F1261-G1265 VanDerWaalsContact O-N 3.11Å; G1265-W1329 WeakPolarHBondContact O-CH2 3.35Å; G1265-W1329 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 1266 | R | 81.3 | Confident | 72.1 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 141.4 | -177.8 | -65.2 | -163.7 | -172.3 | 104.6 | 48.6 | 112.9 | I1127 G1128 R1129 F1261 F1283 Y1284 | I1127-R1266 PolarHBondContact O-NH2 3.27Å; G1128-R1266 PolarHBondContact O-NE 2.66Å; R1129-R1266 VanDerWaalsContact C-NH2 3.34Å; R1129-R1266 VanDerWaalsContact O-CZ 3.3Å; R1129-R1266 PolarHBondContact O-NH1 3.11Å; F1261-R1266 HydrophobicContact CD2-CG 3.97Å; F1261-R1266 HydrophobicContact CE2-CG 4.3Å; R1266-F1283 HydrophobicContact CB-CB 3.97Å; R1266-F1283 HydrophobicContact CB-CD1 3.79Å; R1266-F1283 HydrophobicContact CB-CG 4.15Å; R1266-Y1284 WeakPolarHBondContact CD-O 3.33Å |
| 1267 | P | 81.9 | Confident | 69.8 | Low | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -71 | 134.8 | 170 | 13.6 | -7.4 | 0 | 0 | 0 | 111 | F1261 Y1284 F1289 F1325 W1329 | F1261-P1267 HydrophobicContact CE1-CG 3.58Å; F1261-P1267 HydrophobicContact CZ-CG 3.62Å; P1267-Y1284 HydrophobicContact CB-CD2 4.1Å; P1267-Y1284 HydrophobicContact CG-CD2 4.32Å; P1267-Y1284 PolarHBondContact O-N 3.21Å; P1267-F1289 HydrophobicContact CG-CZ 4.37Å; P1267-F1325 HydrophobicContact CB-CE1 3.88Å; P1267-F1325 HydrophobicContact CB-CZ 4.47Å; P1267-W1329 HydrophobicContact CB-CD2 4.1Å; P1267-W1329 HydrophobicContact CB-CG 4.2Å; P1267-W1329 HydrophobicContact CG-CD2 4.21Å; P1267-W1329 HydrophobicContact CG-CE3 4.38Å; P1267-W1329 HydrophobicContact CG-CZ2 4.38Å |
| 1268 | E | 78.6 | Confident | 67.8 | Low | 128 Ų | 128 | 83.6 Ų | 83.6 | 60% | 0.598 | 42% | 0.417 | S | S | * | . | B | Isolated β-bridge | trans | -76.3 | 142.9 | 173.6 | -72.3 | -176.5 | 177.2 | 0 | 0 | 111.5 | F1283 | E1268-F1283 HydrophobicContact CB-CD1 4.49Å; E1268-F1283 HydrophobicContact CB-CE1 4.47Å; E1268-F1283 HydrophobicContact CG-CD1 3.64Å; E1268-F1283 HydrophobicContact CG-CE1 3.23Å; E1268-F1283 HydrophobicContact CG-CZ 4Å |
| 1269 | K | 74.8 | Confident | 66.1 | Low | 60 Ų | 60 | 88.5 Ų | 88.5 | 26% | 0.261 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 127 | 173.8 | -72.2 | 175 | 170.9 | 156 | 0 | 109.6 | D1271 K1282 F1283 Y1284 D1288 | K1269-D1271 PolarHBondContact O-N 3.03Å; K1269-K1282 WeakPolarHBondContact CB-O 3.37Å; K1269-K1282 PolarHBondContact N-O 3Å; K1269-F1283 VanDerWaalsContact CE-O 3.29Å; K1269-F1283 WeakPolarHBondContact CE-O 3.31Å; K1269-F1283 PolarHBondContact NZ-O 3.21Å; K1269-Y1284 HydrophobicContact CB-CE2 4.24Å; K1269-Y1284 HydrophobicContact CD-CD1 4.3Å; K1269-Y1284 HydrophobicContact CD-CE1 4.29Å; K1269-Y1284 HydrophobicContact CG-CD1 3.95Å; K1269-Y1284 HydrophobicContact CG-CD2 3.67Å; K1269-Y1284 HydrophobicContact CG-CE1 3.81Å; K1269-Y1284 HydrophobicContact CG-CE2 3.56Å; K1269-Y1284 HydrophobicContact CG-CG 3.88Å; K1269-D1288 WeakPolarHBondContact CE-OD2 3.32Å; K1269-D1288 IonicContact NZ-OD2 2.91Å; K1269-D1288 PolarHBondContact NZ-OD2 3.12Å |
| 1270 | F | 65.5 | Low | 64.4 | Low | 177 Ų | 177 | 94.1 Ų | 94.1 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | trans | -77.1 | 69.5 | 170.5 | -83.9 | -82.3 | 0 | 0 | 0 | 110.8 | K1272 F1325 | F1270-K1272 PolarHBondContact O-N 3.36Å; F1270-F1325 HydrophobicContact CD2-CE2 4.29Å; F1270-F1325 HydrophobicContact CE2-CE2 4.11Å; F1270-F1325 HydrophobicContact CE2-CZ 4.49Å | ||
| 1271 | D | 54.4 | Low | 62.8 | Low | 122 Ų | 122 | 99.9 Ų | 99.9 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | trans | -80.9 | 106 | 170.3 | -88.6 | -23.2 | 0 | 0 | 0 | 110.1 | K1269 S1273 | K1269-D1271 PolarHBondContact O-N 3.03Å; D1271-S1273 PolarHBondContact O-N 2.93Å | ||
| 1272 | K | 50.4 | Low | 62 | Low | 218 Ų | 218 | 106 Ų | 106 | 95% | 0.948 | 53% | 0.534 | S | S | * | . | trans | -70.4 | -3.9 | 170.9 | -82 | -174.7 | 176.7 | 177.8 | 0 | 113.2 | F1270 | F1270-K1272 PolarHBondContact O-N 3.36Š| ||
| 1273 | S | 42.4 | Very low | 61.9 | Low | 82 Ų | 82 | 108 Ų | 108 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -133 | 121.7 | -175.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | D1271 | D1271-S1273 PolarHBondContact O-N 2.93Š|
| 1274 | S | 39.6 | Very low | 61.8 | Low | 105 Ų | 105 | 108.4 Ų | 108.4 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | trans | 104.9 | 120.8 | 147.4 | 81 | 0 | 0 | 0 | 0 | 119.2 | R1276 | S1274-R1276 VanDerWaalsContact C-N 3.26Å; S1274-R1276 PolarHBondContact O-N 3.26Å | ||
| 1275 | N | 46 | Very low | 61.7 | Low | 173 Ų | 173 | 108.3 Ų | 108.3 | 93% | 0.925 | 54% | 0.544 | S | S | * | . | trans | -60.1 | 61.7 | 169.5 | -78.3 | -27 | 0 | 0 | 0 | 114.2 | ||||
| 1276 | R | 44.3 | Very low | 61.7 | Low | 211 Ų | 211 | 106.8 Ų | 106.8 | 80% | 0.796 | 53% | 0.529 | S | S | * | . | trans | -109.6 | 110.9 | 170.5 | -79.7 | -174.2 | 174.2 | -179 | -0.4 | 112.1 | S1274 T1278 | S1274-R1276 VanDerWaalsContact C-N 3.26Å; S1274-R1276 PolarHBondContact O-N 3.26Å; R1276-T1278 PolarHBondContact O-N 3.47Å | ||
| 1277 | Q | 42.1 | Very low | 61.5 | Low | 201 Ų | 201 | 105.2 Ų | 105.2 | 94% | 0.939 | 53% | 0.526 | S | S | * | . | trans | -72.9 | 59.7 | 179.3 | -69.4 | 178 | -20.2 | 0 | 0 | 112.8 | ||||
| 1278 | T | 45.4 | Very low | 61.4 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | trans | -124.3 | 103.4 | 165 | 44.9 | 0 | 0 | 0 | 0 | 107.3 | R1276 D1280 L1281 | R1276-T1278 PolarHBondContact O-N 3.47Å; T1278-D1280 PolarHBondContact O-N 3.24Å; T1278-D1280 VanDerWaalsContact O-N 3.15Å; T1278-L1281 PolarHBondContact O-N 2.98Å; T1278-L1281 WeakPolarHBondContact OG1-CD1 3.2Å | ||
| 1279 | T | 50.7 | Low | 61.7 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -56.6 | -28.6 | -169.8 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1280 | D | 52 | Low | 62.1 | Low | 118 Ų | 118 | 98.3 Ų | 98.3 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -77.2 | -22.1 | -174.6 | -68.4 | -19 | 0 | 0 | 0 | 114.3 | T1278 K1282 | T1278-D1280 PolarHBondContact O-N 3.24Å; T1278-D1280 VanDerWaalsContact O-N 3.15Å; D1280-K1282 PolarHBondContact O-N 2.95Å |
| 1281 | L | 56.2 | Low | 62.5 | Low | 121 Ų | 121 | 90.7 Ų | 90.7 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -75.6 | -9 | 179.9 | -82.7 | 164 | 0 | 0 | 0 | 113.5 | T1278 F1283 | T1278-L1281 PolarHBondContact O-N 2.98Å; T1278-L1281 WeakPolarHBondContact OG1-CD1 3.2Å; L1281-F1283 VanDerWaalsContact C-N 3.33Å; L1281-F1283 PolarHBondContact O-N 2.87Å |
| 1282 | K | 69 | Low | 63.2 | Low | 135 Ų | 135 | 89.5 Ų | 89.5 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -74.7 | -17.6 | -178 | -71.9 | -172 | 174.4 | -173.2 | 0 | 114.5 | K1269 D1280 | K1269-K1282 WeakPolarHBondContact CB-O 3.37Å; K1269-K1282 PolarHBondContact N-O 3Å; D1280-K1282 PolarHBondContact O-N 2.95Å |
| 1283 | F | 78.5 | Confident | 63.9 | Low | 68 Ų | 68 | 85 Ų | 85 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 151.6 | -172.6 | -62.6 | -84.8 | 0 | 0 | 0 | 112 | R1266 E1268 K1269 L1281 | R1266-F1283 HydrophobicContact CB-CB 3.97Å; R1266-F1283 HydrophobicContact CB-CD1 3.79Å; R1266-F1283 HydrophobicContact CB-CG 4.15Å; E1268-F1283 HydrophobicContact CB-CD1 4.49Å; E1268-F1283 HydrophobicContact CB-CE1 4.47Å; E1268-F1283 HydrophobicContact CG-CD1 3.64Å; E1268-F1283 HydrophobicContact CG-CE1 3.23Å; E1268-F1283 HydrophobicContact CG-CZ 4Å; K1269-F1283 VanDerWaalsContact CE-O 3.29Å; K1269-F1283 WeakPolarHBondContact CE-O 3.31Å; K1269-F1283 PolarHBondContact NZ-O 3.21Å; L1281-F1283 VanDerWaalsContact C-N 3.33Å; L1281-F1283 PolarHBondContact O-N 2.87Å |
| 1284 | Y | 81.6 | Confident | 65.1 | Low | 40 Ų | 40 | 81.8 Ų | 81.8 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | trans | -71.9 | 145 | 167.4 | -74 | -76.4 | 0 | 0 | 0 | 110.9 | F1261 R1266 P1267 K1269 D1288 F1289 R1322 F1325 | F1261-Y1284 VanDerWaalsContact CE2-O 3.28Å; F1261-Y1284 WeakPolarHBondContact CE2-O 3.03Å; R1266-Y1284 WeakPolarHBondContact CD-O 3.33Å; P1267-Y1284 HydrophobicContact CB-CD2 4.1Å; P1267-Y1284 HydrophobicContact CG-CD2 4.32Å; P1267-Y1284 PolarHBondContact O-N 3.21Å; K1269-Y1284 HydrophobicContact CB-CE2 4.24Å; K1269-Y1284 HydrophobicContact CD-CD1 4.3Å; K1269-Y1284 HydrophobicContact CD-CE1 4.29Å; K1269-Y1284 HydrophobicContact CG-CD1 3.95Å; K1269-Y1284 HydrophobicContact CG-CD2 3.67Å; K1269-Y1284 HydrophobicContact CG-CE1 3.81Å; K1269-Y1284 HydrophobicContact CG-CE2 3.56Å; K1269-Y1284 HydrophobicContact CG-CG 3.88Å; Y1284-D1288 WeakPolarHBondContact CA-OD2 3.34Å; Y1284-D1288 HydrophobicContact CD1-CB 3.88Å; Y1284-F1289 HydrophobicContact CD1-CZ 4.09Å; Y1284-F1289 HydrophobicContact CD2-CZ 4.38Å; Y1284-F1289 HydrophobicContact CG-CE2 4.38Å; Y1284-F1289 AromaticContact CG-CZ 3.82Å; Y1284-F1289 HydrophobicContact CG-CZ 3.82Å; Y1284-R1322 HydrophobicContact CE1-CG 3.91Å; Y1284-F1325 HydrophobicContact CD2-CE1 4.26Å; Y1284-F1325 HydrophobicContact CE2-CD1 4.21Å; Y1284-F1325 AromaticContact CE2-CE1 3.89Å; Y1284-F1325 HydrophobicContact CE2-CE1 3.89Å | ||
| 1285 | S | 80.6 | Confident | 66.2 | Low | 28 Ų | 28 | 78.8 Ų | 78.8 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | trans | -98.2 | 155.7 | 167.4 | 82.6 | 0 | 0 | 0 | 0 | 110.1 | I1287 D1288 F1289 | S1285-I1287 PolarHBondContact O-N 2.84Å; S1285-I1287 VanDerWaalsContact O-N 3.12Å; S1285-I1287 WeakPolarHBondContact OG-CB 3.22Å; S1285-D1288 PolarHBondContact N-OD2 2.93Å; S1285-D1288 VanDerWaalsContact O-CB 3.32Å; S1285-D1288 WeakPolarHBondContact O-CB 3.27Å; S1285-D1288 PolarHBondContact O-N 3.23Å; S1285-D1288 VanDerWaalsContact OG-CG 3.26Å; S1285-D1288 PolarHBondContact OG-N 3.3Å; S1285-D1288 PolarHBondContact OG-OD1 3.15Å; S1285-F1289 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1286 | P | 79.7 | Confident | 66.9 | Low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -55.1 | -33 | 177 | -26.6 | 34 | 0 | 0 | 0 | 112.9 | G1128 V1257 F1261 D1288 F1289 F1290 | G1128-P1286 WeakPolarHBondContact O-CD 3.47Å; V1257-P1286 HydrophobicContact CG1-CB 4.03Å; F1261-P1286 HydrophobicContact CD2-CG 3.58Å; F1261-P1286 HydrophobicContact CE2-CG 3.86Å; F1261-P1286 HydrophobicContact CG-CG 4.38Å; P1286-D1288 PolarHBondContact O-N 2.71Å; P1286-F1289 PolarHBondContact O-N 3.25Å; P1286-F1290 WeakPolarHBondContact O-CD2 3.46Å; P1286-F1290 WeakPolarHBondContact O-CE2 3.4Å |
| 1287 | I | 77.6 | Confident | 67.5 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -62.3 | -29.7 | 177.9 | -70.9 | 164.1 | 0 | 0 | 0 | 111.5 | R1129 S1285 F1289 F1290 L1295 M1299 | R1129-I1287 VanDerWaalsContact NE-CD1 3.32Å; S1285-I1287 PolarHBondContact O-N 2.84Å; S1285-I1287 VanDerWaalsContact O-N 3.12Å; S1285-I1287 WeakPolarHBondContact OG-CB 3.22Å; I1287-F1289 PolarHBondContact O-N 3.15Å; I1287-F1290 PolarHBondContact O-N 2.63Å; I1287-F1290 VanDerWaalsContact O-N 3.16Å; I1287-L1295 HydrophobicContact CB-CD2 3.83Å; I1287-L1295 HydrophobicContact CG1-CD2 4.1Å; I1287-L1295 HydrophobicContact CG2-CD1 3.45Å; I1287-L1295 VanDerWaalsContact CG2-CD1 3.45Å; I1287-L1295 HydrophobicContact CG2-CD2 3.2Å; I1287-L1295 HydrophobicContact CG2-CG 3.89Å; I1287-M1299 HydrophobicContact CD1-SD 4.01Å |
| 1288 | D | 80.4 | Confident | 68.4 | Low | 33 Ų | 33 | 61.7 Ų | 61.7 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -67.5 | -10.6 | -175 | -61.7 | -10.6 | 0 | 0 | 0 | 113.7 | K1269 Y1284 S1285 P1286 R1322 | K1269-D1288 WeakPolarHBondContact CE-OD2 3.32Å; K1269-D1288 IonicContact NZ-OD2 2.91Å; K1269-D1288 PolarHBondContact NZ-OD2 3.12Å; Y1284-D1288 WeakPolarHBondContact CA-OD2 3.34Å; Y1284-D1288 HydrophobicContact CD1-CB 3.88Å; S1285-D1288 PolarHBondContact N-OD2 2.93Å; S1285-D1288 VanDerWaalsContact O-CB 3.32Å; S1285-D1288 WeakPolarHBondContact O-CB 3.27Å; S1285-D1288 PolarHBondContact O-N 3.23Å; S1285-D1288 VanDerWaalsContact OG-CG 3.26Å; S1285-D1288 PolarHBondContact OG-N 3.3Å; S1285-D1288 PolarHBondContact OG-OD1 3.15Å; P1286-D1288 PolarHBondContact O-N 2.71Å; D1288-R1322 PolarHBondContact O-NH1 3.21Å; D1288-R1322 VanDerWaalsContact O-NH1 3.11Å |
| 1289 | F | 84.8 | Confident | 69 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -101.2 | 1.2 | -179.9 | -56.4 | -79.9 | 0 | 0 | 0 | 113.9 | V1257 F1261 P1267 Y1284 S1285 P1286 I1287 R1322 R1323 F1326 W1390 | V1257-F1289 HydrophobicContact CG1-CD2 3.96Å; F1261-F1289 HydrophobicContact CE1-CE2 4.22Å; F1261-F1289 HydrophobicContact CZ-CD2 4.47Å; F1261-F1289 AromaticContact CZ-CE2 3.6Å; F1261-F1289 HydrophobicContact CZ-CE2 3.6Å; F1261-F1289 HydrophobicContact CZ-CZ 4.3Å; P1267-F1289 HydrophobicContact CG-CZ 4.37Å; Y1284-F1289 HydrophobicContact CD1-CZ 4.09Å; Y1284-F1289 HydrophobicContact CD2-CZ 4.38Å; Y1284-F1289 HydrophobicContact CG-CE2 4.38Å; Y1284-F1289 AromaticContact CG-CZ 3.82Å; Y1284-F1289 HydrophobicContact CG-CZ 3.82Å; S1285-F1289 WeakPolarHBondContact O-CE2 3.38Å; P1286-F1289 PolarHBondContact O-N 3.25Å; I1287-F1289 PolarHBondContact O-N 3.15Å; F1289-R1322 HydrophobicContact CD1-CB 4.27Å; F1289-R1322 HydrophobicContact CE1-CB 4.24Å; F1289-R1322 WeakPolarHBondContact CE1-O 3.39Å; F1289-R1323 PolarHBondContact O-NE 3.15Å; F1289-R1323 PolarHBondContact O-NH2 3.39Å; F1289-F1326 HydrophobicContact CD1-CB 3.83Å; F1289-F1326 HydrophobicContact CD1-CG 4.28Å; F1289-F1326 HydrophobicContact CE1-CB 3.54Å; F1289-F1326 HydrophobicContact CE1-CD2 4.12Å; F1289-F1326 HydrophobicContact CE1-CG 4.13Å; F1289-F1326 HydrophobicContact CE2-CD2 4.27Å; F1289-F1326 HydrophobicContact CZ-CB 4.22Å; F1289-F1326 AromaticContact CZ-CD2 3.98Å; F1289-F1326 HydrophobicContact CZ-CD2 3.98Å; F1289-F1326 HydrophobicContact CZ-CG 4.45Å; F1289-W1390 HydrophobicContact CB-CZ2 4.48Å |
| 1290 | F | 82.2 | Confident | 69.4 | Low | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -114.6 | 150.2 | 179.5 | -62.9 | -83.1 | 0 | 0 | 0 | 111.4 | Q1253 L1254 V1257 P1286 I1287 L1295 L1298 | Q1253-F1290 HydrophobicContact CB-CE1 3.71Å; Q1253-F1290 HydrophobicContact CB-CZ 3.98Å; L1254-F1290 HydrophobicContact CB-CZ 4.12Å; L1254-F1290 HydrophobicContact CD1-CD2 4.4Å; L1254-F1290 HydrophobicContact CD1-CE2 3.81Å; L1254-F1290 HydrophobicContact CD1-CZ 4.26Å; V1257-F1290 HydrophobicContact CB-CE2 4.46Å; V1257-F1290 HydrophobicContact CG2-CE2 4.34Å; V1257-F1290 HydrophobicContact CG2-CZ 4.23Å; P1286-F1290 WeakPolarHBondContact O-CD2 3.46Å; P1286-F1290 WeakPolarHBondContact O-CE2 3.4Å; I1287-F1290 PolarHBondContact O-N 2.63Å; I1287-F1290 VanDerWaalsContact O-N 3.16Å; F1290-L1295 HydrophobicContact CB-CD2 4.09Å; F1290-L1298 HydrophobicContact CB-CD1 4.22Å; F1290-L1298 HydrophobicContact CD1-CD1 4.15Å; F1290-L1298 HydrophobicContact CD2-CD1 4.32Å; F1290-L1298 HydrophobicContact CG-CD1 3.95Å |
| 1291 | P | 73.8 | Confident | 69.4 | Low | 17 Ų | 17 | 55 Ų | 55 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -56.8 | 142.1 | 171.2 | -19.3 | 31.2 | 0 | 0 | 0 | 110.7 | Q1293 D1294 L1319 | P1291-Q1293 PolarHBondContact O-N 3.41Å; P1291-Q1293 VanDerWaalsContact O-N 3.09Å; P1291-D1294 VanDerWaalsContact CD-OD2 3.25Å; P1291-D1294 WeakPolarHBondContact CD-OD2 3.46Å; P1291-D1294 WeakPolarHBondContact CG-OD2 3.01Å; P1291-D1294 PolarHBondContact O-N 3.29Å; P1291-L1319 HydrophobicContact CG-CD2 4.25Å | ||
| 1292 | S | 69.2 | Low | 69.4 | Low | 98 Ų | 98 | 55.3 Ų | 55.3 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.3 | -28 | -179.1 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | D1294 L1295 | S1292-D1294 VanDerWaalsContact C-N 3.33Å; S1292-L1295 WeakPolarHBondContact O-CB 3.27Å; S1292-L1295 PolarHBondContact O-N 2.98Å |
| 1293 | Q | 66.7 | Low | 68.4 | Low | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.9 | -32.7 | 176.9 | -62.6 | 174.8 | 2.8 | 0 | 0 | 112.4 | P1291 L1295 G1312 | P1291-Q1293 PolarHBondContact O-N 3.41Å; P1291-Q1293 VanDerWaalsContact O-N 3.09Å; Q1293-L1295 VanDerWaalsContact C-N 3.33Å; Q1293-G1312 VanDerWaalsContact OE1-CA 3.31Å |
| 1294 | D | 66.4 | Low | 66.8 | Low | 14 Ų | 14 | 55.1 Ų | 55.1 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82 | -17.1 | -178.3 | -60.3 | -14.1 | 0 | 0 | 0 | 111.7 | P1291 S1292 H1296 M1297 L1298 | P1291-D1294 VanDerWaalsContact CD-OD2 3.25Å; P1291-D1294 WeakPolarHBondContact CD-OD2 3.46Å; P1291-D1294 WeakPolarHBondContact CG-OD2 3.01Å; P1291-D1294 PolarHBondContact O-N 3.29Å; S1292-D1294 VanDerWaalsContact C-N 3.33Å; D1294-H1296 PolarHBondContact O-N 2.81Å; D1294-M1297 WeakPolarHBondContact O-CB 3.15Å; D1294-M1297 PolarHBondContact O-N 3.5Å; D1294-L1298 HydrophobicContact CB-CD1 4.42Å; D1294-L1298 WeakPolarHBondContact O-CG 3.3Å; D1294-L1298 PolarHBondContact O-N 3.34Å |
| 1295 | L | 64 | Low | 64.9 | Low | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | -173.3 | -64.1 | 178.2 | 0 | 0 | 0 | 112.7 | I1287 F1290 S1292 Q1293 M1297 L1298 M1299 | I1287-L1295 HydrophobicContact CB-CD2 3.83Å; I1287-L1295 HydrophobicContact CG1-CD2 4.1Å; I1287-L1295 HydrophobicContact CG2-CD1 3.45Å; I1287-L1295 VanDerWaalsContact CG2-CD1 3.45Å; I1287-L1295 HydrophobicContact CG2-CD2 3.2Å; I1287-L1295 HydrophobicContact CG2-CG 3.89Å; F1290-L1295 HydrophobicContact CB-CD2 4.09Å; S1292-L1295 WeakPolarHBondContact O-CB 3.27Å; S1292-L1295 PolarHBondContact O-N 2.98Å; Q1293-L1295 VanDerWaalsContact C-N 3.33Å; L1295-M1297 PolarHBondContact O-N 3.49Å; L1295-L1298 PolarHBondContact O-N 2.84Å; L1295-M1299 VanDerWaalsContact O-CB 3.25Å; L1295-M1299 WeakPolarHBondContact O-CB 3.42Å; L1295-M1299 WeakPolarHBondContact O-CG 3.37Å; L1295-M1299 PolarHBondContact O-N 3.1Å; L1295-M1299 VanDerWaalsContact O-N 3.16Å |
| 1296 | H | 59.9 | Low | 63.3 | Low | 154 Ų | 154 | 61.8 Ų | 61.8 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -33.4 | 178.9 | -167.2 | -73.3 | 0 | 0 | 0 | 111.3 | D1294 M1299 S1300 | D1294-H1296 PolarHBondContact O-N 2.81Å; H1296-M1299 PolarHBondContact O-N 2.89Å; H1296-S1300 PolarHBondContact O-OG 3.23Å |
| 1297 | M | 57.7 | Low | 61 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 178.1 | -170.2 | -179.1 | 66.4 | 0 | 0 | 112 | D1294 L1295 M1299 | D1294-M1297 WeakPolarHBondContact O-CB 3.15Å; D1294-M1297 PolarHBondContact O-N 3.5Å; L1295-M1297 PolarHBondContact O-N 3.49Å; M1297-M1299 PolarHBondContact O-N 3.44Å |
| 1298 | L | 59 | Low | 59 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.047 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.1 | -15.1 | 178.3 | -65.2 | 168.1 | 0 | 0 | 0 | 113.2 | L1254 F1290 D1294 L1295 | L1254-L1298 HydrophobicContact CB-CD2 4.29Å; L1254-L1298 HydrophobicContact CD1-CD1 4.47Å; L1254-L1298 HydrophobicContact CD2-CB 4.27Å; L1254-L1298 HydrophobicContact CD2-CD2 3.77Å; L1254-L1298 HydrophobicContact CD2-CG 4.44Å; L1254-L1298 HydrophobicContact CG-CD2 4.5Å; F1290-L1298 HydrophobicContact CB-CD1 4.22Å; F1290-L1298 HydrophobicContact CD1-CD1 4.15Å; F1290-L1298 HydrophobicContact CD2-CD1 4.32Å; F1290-L1298 HydrophobicContact CG-CD1 3.95Å; D1294-L1298 HydrophobicContact CB-CD1 4.42Å; D1294-L1298 WeakPolarHBondContact O-CG 3.3Å; D1294-L1298 PolarHBondContact O-N 3.34Å; L1295-L1298 PolarHBondContact O-N 2.84Å |
| 1299 | M | 58.2 | Low | 56.9 | Low | 79 Ų | 79 | 74.1 Ų | 74.1 | 39% | 0.389 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -97.3 | -15.1 | -170.4 | -77.2 | -56.8 | -58.8 | 0 | 0 | 115.4 | R1129 I1287 L1295 H1296 M1297 P1301 | R1129-M1299 VanDerWaalsContact CZ-CE 3.47Å; R1129-M1299 VanDerWaalsContact CZ-SD 3.59Å; R1129-M1299 PolarHBondContact NH2-SD 2.99Å; I1287-M1299 HydrophobicContact CD1-SD 4.01Å; L1295-M1299 VanDerWaalsContact O-CB 3.25Å; L1295-M1299 WeakPolarHBondContact O-CB 3.42Å; L1295-M1299 WeakPolarHBondContact O-CG 3.37Å; L1295-M1299 PolarHBondContact O-N 3.1Å; L1295-M1299 VanDerWaalsContact O-N 3.16Å; H1296-M1299 PolarHBondContact O-N 2.89Å; M1297-M1299 PolarHBondContact O-N 3.44Å; M1299-P1301 VanDerWaalsContact O-CD 3.25Å; M1299-P1301 WeakPolarHBondContact O-CD 3.46Å |
| 1300 | S | 59.2 | Low | 54.8 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 37% | 0.371 | 45% | 0.445 | S | S | . | . | trans | -117 | 78.9 | -177 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | H1296 D1302 | H1296-S1300 PolarHBondContact O-OG 3.23Å; S1300-D1302 PolarHBondContact O-N 3.42Å; S1300-D1302 VanDerWaalsContact O-N 3.15Å | ||
| 1301 | P | 53.7 | Low | 53.1 | Low | 28 Ų | 28 | 79 Ų | 79 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.9 | 179.8 | 27.2 | -36 | 0 | 0 | 0 | 114.2 | I1118 K1122 M1299 N1303 | I1118-P1301 HydrophobicContact CG1-CB 4.49Å; K1122-P1301 HydrophobicContact CD-CG 4.2Å; K1122-P1301 HydrophobicContact CG-CG 4.01Å; M1299-P1301 VanDerWaalsContact O-CD 3.25Å; M1299-P1301 WeakPolarHBondContact O-CD 3.46Å; P1301-N1303 VanDerWaalsContact C-N 3.29Å; P1301-N1303 PolarHBondContact O-N 3.35Å |
| 1302 | D | 55 | Low | 51.8 | Low | 127 Ų | 127 | 79 Ų | 79 | 68% | 0.679 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3.6 | -171.9 | -54.6 | -30.7 | 0 | 0 | 0 | 114.2 | K1122 S1300 | K1122-D1302 IonicContact NZ-OD1 2.96Å; K1122-D1302 PolarHBondContact NZ-OD1 2.82Å; K1122-D1302 IonicContact NZ-OD2 3.85Å; S1300-D1302 PolarHBondContact O-N 3.42Å; S1300-D1302 VanDerWaalsContact O-N 3.15Å |
| 1303 | N | 48.5 | Very low | 51 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | trans | -121 | 102.7 | -179.8 | -160.6 | -5.1 | 0 | 0 | 0 | 112.4 | P1301 N1305 | P1301-N1303 VanDerWaalsContact C-N 3.29Å; P1301-N1303 PolarHBondContact O-N 3.35Å; N1303-N1305 VanDerWaalsContact C-N 3.3Å; N1303-N1305 PolarHBondContact O-N 3.48Å | ||
| 1304 | P | 45.5 | Very low | 50.5 | Low | 90 Ų | 90 | 81.9 Ų | 81.9 | 58% | 0.584 | 47% | 0.471 | S | S | * | . | trans | -78.5 | -3.5 | -173.4 | 30.3 | -34.5 | 0 | 0 | 0 | 115 | W1306 | P1304-W1306 PolarHBondContact O-N 3.38Å; P1304-W1306 PolarHBondContact O-NE1 3.1Å | ||
| 1305 | N | 41.3 | Very low | 50.1 | Low | 135 Ų | 135 | 85 Ų | 85 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | trans | -97.5 | 71.4 | -175.4 | -71.1 | -20.3 | 0 | 0 | 0 | 112.4 | N1303 V1307 | N1303-N1305 VanDerWaalsContact C-N 3.3Å; N1303-N1305 PolarHBondContact O-N 3.48Å; N1305-V1307 VanDerWaalsContact C-N 3.33Å; N1305-V1307 PolarHBondContact O-N 2.94Å | ||
| 1306 | W | 46.2 | Very low | 50.3 | Low | 74 Ų | 74 | 88.1 Ų | 88.1 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | trans | -94.7 | 47 | -173.8 | 44.2 | -85.1 | 0 | 0 | 0 | 113.4 | P1243 N1244 S1247 I1248 P1304 | P1243-W1306 HydrophobicContact CB-CH2 3.06Å; P1243-W1306 HydrophobicContact CB-CZ2 3.49Å; P1243-W1306 VanDerWaalsContact CB-CZ2 3.49Å; P1243-W1306 HydrophobicContact CB-CZ3 3.97Å; P1243-W1306 HydrophobicContact CG-CH2 4.46Å; N1244-W1306 HydrophobicContact CB-CE3 3.74Å; N1244-W1306 HydrophobicContact CB-CZ3 3.5Å; N1244-W1306 VanDerWaalsContact CB-CZ3 3.5Å; N1244-W1306 VanDerWaalsContact O-CZ3 3.23Å; N1244-W1306 WeakPolarHBondContact O-CZ3 3.35Å; S1247-W1306 WeakPolarHBondContact OG-CH2 3.15Å; S1247-W1306 WeakPolarHBondContact OG-CZ3 3.4Å; I1248-W1306 HydrophobicContact CG1-CH2 4.16Å; P1304-W1306 PolarHBondContact O-N 3.38Å; P1304-W1306 PolarHBondContact O-NE1 3.1Å | ||
| 1307 | V | 31.3 | Very low | 50.9 | Low | 121 Ų | 121 | 87 Ų | 87 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | trans | -83.5 | 126.7 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | N1305 | N1305-V1307 VanDerWaalsContact C-N 3.33Å; N1305-V1307 PolarHBondContact O-N 2.94Å | ||
| 1308 | S | 36 | Very low | 51.9 | Low | 98 Ų | 98 | 88.8 Ų | 88.8 | 69% | 0.685 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 67.5 | 54.1 | 155.9 | 70.4 | 0 | 0 | 0 | 0 | 121.1 | ||
| 1309 | T | 35.6 | Very low | 53 | Low | 113 Ų | 113 | 88.6 Ų | 88.6 | 69% | 0.693 | 52% | 0.517 | S | S | * | . | trans | -128.4 | 122.4 | 152.1 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1310 | G | 42.6 | Very low | 54 | Low | 65 Ų | 65 | 86.2 Ų | 86.2 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 135.1 | -173 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1312 | G1310-G1312 PolarHBondContact O-N 3.14Š|
| 1311 | V | 45.2 | Very low | 55.2 | Low | 48 Ų | 48 | 89 Ų | 89 | 29% | 0.291 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 122.3 | 167.3 | 178 | 0 | 0 | 0 | 0 | 107.8 | L1246 N1313 | L1246-V1311 HydrophobicContact CB-CG2 4.44Å; V1311-N1313 PolarHBondContact O-N 2.78Å |
| 1312 | G | 47.1 | Very low | 56.7 | Low | 15 Ų | 15 | 91 Ų | 91 | 16% | 0.155 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 116.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1293 G1310 N1314 | Q1293-G1312 VanDerWaalsContact OE1-CA 3.31Å; G1310-G1312 PolarHBondContact O-N 3.14Å; G1312-N1314 PolarHBondContact O-N 3.2Å; G1312-N1314 VanDerWaalsContact O-N 3.1Å |
| 1313 | N | 52.6 | Low | 58.3 | Low | 148 Ų | 148 | 86 Ų | 86 | 79% | 0.791 | 49% | 0.494 | S | S | * | . | trans | -70.5 | 1.9 | 177.3 | -76.3 | -15.2 | 0 | 0 | 0 | 114.3 | V1311 V1315 | V1311-N1313 PolarHBondContact O-N 2.78Å; N1313-V1315 PolarHBondContact O-N 2.77Å | ||
| 1314 | N | 55.4 | Low | 60.2 | Low | 135 Ų | 135 | 86.6 Ų | 86.6 | 72% | 0.722 | 49% | 0.489 | S | S | * | . | trans | -78.8 | 87.9 | -179 | -70.8 | -1.6 | 0 | 0 | 0 | 109.6 | G1312 D1316 | G1312-N1314 PolarHBondContact O-N 3.2Å; G1312-N1314 VanDerWaalsContact O-N 3.1Å; N1314-D1316 PolarHBondContact O-N 3.24Å | ||
| 1315 | V | 58.4 | Low | 62.3 | Low | 81 Ų | 81 | 85.1 Ų | 85.1 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | trans | -79.8 | 109.8 | 169.6 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | N1313 A1320 | N1313-V1315 PolarHBondContact O-N 2.77Å; V1315-A1320 HydrophobicContact CG1-CB 4.07Å | ||
| 1316 | D | 67.3 | Low | 64.6 | Low | 106 Ų | 106 | 78.7 Ų | 78.7 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | trans | -68.4 | 143.3 | 169.2 | -150.3 | -9.7 | 0 | 0 | 0 | 109.4 | N1314 D1318 L1319 A1320 | N1314-D1316 PolarHBondContact O-N 3.24Å; D1316-D1318 PolarHBondContact O-N 2.93Å; D1316-D1318 VanDerWaalsContact O-N 3.16Å; D1316-L1319 HydrophobicContact CB-CB 4.35Å; D1316-L1319 WeakPolarHBondContact O-CA 3.49Å; D1316-L1319 WeakPolarHBondContact O-CB 3.37Å; D1316-L1319 PolarHBondContact O-N 3.42Å; D1316-A1320 PolarHBondContact O-N 3.39Å; D1316-A1320 VanDerWaalsContact O-N 3.14Å | ||
| 1317 | D | 73.5 | Confident | 66.8 | Low | 130 Ų | 130 | 75.2 Ų | 75.2 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.1 | -35.4 | -179.5 | -79.1 | -28.5 | 0 | 0 | 0 | 110.8 | L1319 A1320 I1321 | D1317-L1319 VanDerWaalsContact C-N 3.32Å; D1317-L1319 PolarHBondContact O-N 3.4Å; D1317-A1320 PolarHBondContact O-N 3Å; D1317-I1321 VanDerWaalsContact O-CG1 3.3Å; D1317-I1321 WeakPolarHBondContact O-CG1 3.42Å; D1317-I1321 PolarHBondContact O-N 3.3Å |
| 1318 | D | 77.5 | Confident | 69.6 | Low | 101 Ų | 101 | 72 Ų | 72 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 174.4 | -75.1 | -10.1 | 0 | 0 | 0 | 113.2 | D1316 R1322 | D1316-D1318 PolarHBondContact O-N 2.93Å; D1316-D1318 VanDerWaalsContact O-N 3.16Å; D1318-R1322 VanDerWaalsContact O-CG 3.31Å; D1318-R1322 WeakPolarHBondContact O-CG 3.36Å; D1318-R1322 PolarHBondContact O-N 3.46Å; D1318-R1322 VanDerWaalsContact O-N 3.12Å; D1318-R1322 PolarHBondContact O-NE 3.02Å; D1318-R1322 VanDerWaalsContact O-NE 3.14Å |
| 1319 | L | 82.3 | Confident | 72.2 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 175.7 | -176.7 | 62.9 | 0 | 0 | 0 | 110.8 | P1291 D1316 D1317 I1321 R1322 R1323 | P1291-L1319 HydrophobicContact CG-CD2 4.25Å; D1316-L1319 HydrophobicContact CB-CB 4.35Å; D1316-L1319 WeakPolarHBondContact O-CA 3.49Å; D1316-L1319 WeakPolarHBondContact O-CB 3.37Å; D1316-L1319 PolarHBondContact O-N 3.42Å; D1317-L1319 VanDerWaalsContact C-N 3.32Å; D1317-L1319 PolarHBondContact O-N 3.4Å; L1319-I1321 VanDerWaalsContact C-N 3.33Å; L1319-I1321 PolarHBondContact O-N 2.92Å; L1319-R1322 PolarHBondContact O-N 3.32Å; L1319-R1323 HydrophobicContact CD1-CG 4.44Å; L1319-R1323 HydrophobicContact CG-CG 4.48Å; L1319-R1323 WeakPolarHBondContact O-CB 3.31Å; L1319-R1323 WeakPolarHBondContact O-CG 3.32Å; L1319-R1323 PolarHBondContact O-N 2.95Å |
| 1320 | A | 80.5 | Confident | 74.9 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1315 D1316 D1317 R1323 R1324 F1392 | V1315-A1320 HydrophobicContact CG1-CB 4.07Å; D1316-A1320 PolarHBondContact O-N 3.39Å; D1316-A1320 VanDerWaalsContact O-N 3.14Å; D1317-A1320 PolarHBondContact O-N 3Å; A1320-R1323 PolarHBondContact O-N 2.89Å; A1320-R1324 WeakPolarHBondContact O-CB 3.35Å; A1320-R1324 PolarHBondContact O-N 2.96Å; A1320-F1392 WeakPolarHBondContact O-CZ 3.35Å |
| 1321 | I | 83.2 | Confident | 77.2 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 175.1 | -67 | 164.4 | 0 | 0 | 0 | 110.7 | D1317 L1319 R1323 R1324 F1325 | D1317-I1321 VanDerWaalsContact O-CG1 3.3Å; D1317-I1321 WeakPolarHBondContact O-CG1 3.42Å; D1317-I1321 PolarHBondContact O-N 3.3Å; L1319-I1321 VanDerWaalsContact C-N 3.33Å; L1319-I1321 PolarHBondContact O-N 2.92Å; I1321-R1323 PolarHBondContact O-N 3.26Å; I1321-R1324 PolarHBondContact O-N 2.91Å; I1321-F1325 WeakPolarHBondContact O-CB 3.3Å; I1321-F1325 PolarHBondContact O-N 3.39Å |
| 1322 | R | 86.1 | Confident | 79.2 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.8 | -76.2 | -179.7 | -72.8 | -179.9 | -5.5 | 112.8 | Y1284 D1288 F1289 D1318 L1319 F1325 F1326 | Y1284-R1322 HydrophobicContact CE1-CG 3.91Å; D1288-R1322 PolarHBondContact O-NH1 3.21Å; D1288-R1322 VanDerWaalsContact O-NH1 3.11Å; F1289-R1322 HydrophobicContact CD1-CB 4.27Å; F1289-R1322 HydrophobicContact CE1-CB 4.24Å; F1289-R1322 WeakPolarHBondContact CE1-O 3.39Å; D1318-R1322 VanDerWaalsContact O-CG 3.31Å; D1318-R1322 WeakPolarHBondContact O-CG 3.36Å; D1318-R1322 PolarHBondContact O-N 3.46Å; D1318-R1322 VanDerWaalsContact O-N 3.12Å; D1318-R1322 PolarHBondContact O-NE 3.02Å; D1318-R1322 VanDerWaalsContact O-NE 3.14Å; L1319-R1322 PolarHBondContact O-N 3.32Å; R1322-F1325 WeakPolarHBondContact O-CB 3.26Å; R1322-F1325 PolarHBondContact O-N 3.48Å; R1322-F1326 PolarHBondContact O-N 3Å |
| 1323 | R | 89 | Confident | 81.1 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.5 | -76.2 | 174.8 | 171.6 | -177.5 | -4.6 | 112.3 | F1289 L1319 A1320 I1321 F1326 L1327 W1390 F1392 | F1289-R1323 PolarHBondContact O-NE 3.15Å; F1289-R1323 PolarHBondContact O-NH2 3.39Å; L1319-R1323 HydrophobicContact CD1-CG 4.44Å; L1319-R1323 HydrophobicContact CG-CG 4.48Å; L1319-R1323 WeakPolarHBondContact O-CB 3.31Å; L1319-R1323 WeakPolarHBondContact O-CG 3.32Å; L1319-R1323 PolarHBondContact O-N 2.95Å; A1320-R1323 PolarHBondContact O-N 2.89Å; I1321-R1323 PolarHBondContact O-N 3.26Å; R1323-F1326 PolarHBondContact O-N 2.79Å; R1323-L1327 WeakPolarHBondContact O-CG 3.46Å; R1323-L1327 PolarHBondContact O-N 3.25Å; R1323-W1390 HydrophobicContact CB-CD2 4.02Å; R1323-W1390 HydrophobicContact CB-CE3 3.57Å; R1323-W1390 HydrophobicContact CB-CZ3 3.86Å; R1323-W1390 HydrophobicContact CG-CD2 3.78Å; R1323-W1390 HydrophobicContact CG-CE3 3.79Å; R1323-W1390 HydrophobicContact CG-CG 4.31Å; R1323-W1390 HydrophobicContact CG-CH2 4.24Å; R1323-W1390 HydrophobicContact CG-CZ2 4.26Å; R1323-W1390 HydrophobicContact CG-CZ3 4.02Å; R1323-F1392 HydrophobicContact CB-CE2 3.82Å; R1323-F1392 HydrophobicContact CB-CZ 4.23Å |
| 1324 | R | 87.5 | Confident | 82.7 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175 | -174.5 | 179.2 | -71.7 | -179.8 | -2.3 | 111.3 | A1320 I1321 L1327 Y1328 F1392 | A1320-R1324 WeakPolarHBondContact O-CB 3.35Å; A1320-R1324 PolarHBondContact O-N 2.96Å; I1321-R1324 PolarHBondContact O-N 2.91Å; R1324-L1327 PolarHBondContact O-N 3.48Å; R1324-Y1328 HydrophobicContact CG-CE1 4.27Å; R1324-Y1328 HydrophobicContact CG-CE2 4.2Å; R1324-Y1328 PolarHBondContact O-N 3.33Å; R1324-Y1328 VanDerWaalsContact O-N 3.16Å; R1324-F1392 HydrophobicContact CB-CE1 4.05Å; R1324-F1392 HydrophobicContact CB-CZ 3.98Å |
| 1325 | F | 89.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.6 | 171.5 | -100.9 | 0 | 0 | 0 | 111.8 | P1267 F1270 Y1284 I1321 R1322 L1327 Y1328 W1329 | P1267-F1325 HydrophobicContact CB-CE1 3.88Å; P1267-F1325 HydrophobicContact CB-CZ 4.47Å; F1270-F1325 HydrophobicContact CD2-CE2 4.29Å; F1270-F1325 HydrophobicContact CE2-CE2 4.11Å; F1270-F1325 HydrophobicContact CE2-CZ 4.49Å; Y1284-F1325 HydrophobicContact CD2-CE1 4.26Å; Y1284-F1325 HydrophobicContact CE2-CD1 4.21Å; Y1284-F1325 AromaticContact CE2-CE1 3.89Å; Y1284-F1325 HydrophobicContact CE2-CE1 3.89Å; I1321-F1325 WeakPolarHBondContact O-CB 3.3Å; I1321-F1325 PolarHBondContact O-N 3.39Å; R1322-F1325 WeakPolarHBondContact O-CB 3.26Å; R1322-F1325 PolarHBondContact O-N 3.48Å; F1325-L1327 PolarHBondContact O-N 3.01Å; F1325-Y1328 PolarHBondContact O-N 3.33Å; F1325-W1329 WeakPolarHBondContact O-CB 3.29Å; F1325-W1329 PolarHBondContact O-N 3.48Å |
| 1326 | F | 90.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 178 | 177.5 | -90.1 | 0 | 0 | 0 | 112.8 | V1257 S1260 F1261 F1289 R1322 R1323 Y1328 W1329 L1330 L1386 W1390 | V1257-F1326 HydrophobicContact CB-CZ 4.24Å; V1257-F1326 HydrophobicContact CG1-CE2 4.13Å; V1257-F1326 HydrophobicContact CG1-CZ 4.26Å; V1257-F1326 HydrophobicContact CG2-CE1 4.01Å; V1257-F1326 HydrophobicContact CG2-CE2 4.48Å; V1257-F1326 HydrophobicContact CG2-CZ 3.91Å; S1260-F1326 WeakPolarHBondContact OG-CE2 3.43Å; S1260-F1326 WeakPolarHBondContact OG-CZ 3.42Å; F1261-F1326 HydrophobicContact CD1-CE2 4.19Å; F1261-F1326 HydrophobicContact CE1-CD2 4.12Å; F1261-F1326 AromaticContact CE1-CE2 3.66Å; F1261-F1326 HydrophobicContact CE1-CE2 3.66Å; F1289-F1326 HydrophobicContact CD1-CB 3.83Å; F1289-F1326 HydrophobicContact CD1-CG 4.28Å; F1289-F1326 HydrophobicContact CE1-CB 3.54Å; F1289-F1326 HydrophobicContact CE1-CD2 4.12Å; F1289-F1326 HydrophobicContact CE1-CG 4.13Å; F1289-F1326 HydrophobicContact CE2-CD2 4.27Å; F1289-F1326 HydrophobicContact CZ-CB 4.22Å; F1289-F1326 AromaticContact CZ-CD2 3.98Å; F1289-F1326 HydrophobicContact CZ-CD2 3.98Å; F1289-F1326 HydrophobicContact CZ-CG 4.45Å; R1322-F1326 PolarHBondContact O-N 3Å; R1323-F1326 PolarHBondContact O-N 2.79Å; F1326-Y1328 VanDerWaalsContact C-N 3.27Å; F1326-Y1328 PolarHBondContact O-N 3.4Å; F1326-W1329 AromaticContact CD2-CE3 3.96Å; F1326-W1329 HydrophobicContact CD2-CE3 3.96Å; F1326-W1329 HydrophobicContact CD2-CZ3 4.24Å; F1326-W1329 AromaticContact CE2-CE3 3.86Å; F1326-W1329 HydrophobicContact CE2-CE3 3.86Å; F1326-W1329 AromaticContact CE2-CZ3 3.69Å; F1326-W1329 HydrophobicContact CE2-CZ3 3.69Å; F1326-W1329 HydrophobicContact CZ-CZ3 4.36Å; F1326-W1329 PolarHBondContact O-N 3.31Å; F1326-L1330 HydrophobicContact CE1-CB 4.34Å; F1326-L1330 HydrophobicContact CE1-CD2 4Å; F1326-L1330 HydrophobicContact CZ-CD2 4.34Å; F1326-L1330 VanDerWaalsContact O-CB 3.29Å; F1326-L1330 WeakPolarHBondContact O-CB 3.5Å; F1326-L1330 PolarHBondContact O-N 3.3Å; F1326-L1386 HydrophobicContact CD1-CD1 4.21Å; F1326-L1386 HydrophobicContact CE1-CD1 3.51Å; F1326-L1386 HydrophobicContact CZ-CD1 4.48Å; F1326-W1390 HydrophobicContact CB-CZ3 4.49Å; F1326-W1390 AromaticContact CD1-CH2 3.57Å; F1326-W1390 HydrophobicContact CD1-CH2 3.57Å; F1326-W1390 AromaticContact CD1-CZ3 3.75Å; F1326-W1390 HydrophobicContact CD1-CZ3 3.75Å; F1326-W1390 HydrophobicContact CE1-CH2 4.1Å; F1326-W1390 HydrophobicContact CG-CH2 4.28Å |
| 1327 | L | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 175.6 | -72.1 | 172.9 | 0 | 0 | 0 | 111.4 | R1323 R1324 F1325 I1331 A1383 L1386 A1387 W1390 F1392 V1397 | R1323-L1327 WeakPolarHBondContact O-CG 3.46Å; R1323-L1327 PolarHBondContact O-N 3.25Å; R1324-L1327 PolarHBondContact O-N 3.48Å; F1325-L1327 PolarHBondContact O-N 3.01Å; L1327-I1331 VanDerWaalsContact O-CD1 3.28Å; L1327-I1331 WeakPolarHBondContact O-CD1 3.46Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.48Å; L1327-I1331 PolarHBondContact O-N 3.13Å; L1327-A1383 WeakPolarHBondContact CD2-O 3.43Å; L1327-L1386 HydrophobicContact CD2-CB 3.87Å; L1327-A1387 HydrophobicContact CD1-CB 3.82Å; L1327-A1387 HydrophobicContact CD2-CB 4.23Å; L1327-W1390 HydrophobicContact CD1-CE3 4.22Å; L1327-W1390 HydrophobicContact CD2-CE3 4.29Å; L1327-W1390 HydrophobicContact CD2-CZ3 4.13Å; L1327-W1390 HydrophobicContact CG-CE3 4.07Å; L1327-W1390 HydrophobicContact CG-CZ3 3.96Å; L1327-F1392 HydrophobicContact CD1-CB 4.41Å; L1327-F1392 HydrophobicContact CD1-CD2 3.72Å; L1327-F1392 HydrophobicContact CD1-CE2 4.31Å; L1327-F1392 HydrophobicContact CD1-CG 4.19Å; L1327-V1397 HydrophobicContact CD1-CG2 4.46Å |
| 1328 | Y | 89.9 | Confident | 86 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 21% | 0.208 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 179 | -68.3 | -1.5 | 0 | 0 | 0 | 112 | R1324 F1325 F1326 L1330 I1331 E1332 T1396 Q1400 R1430 | R1324-Y1328 HydrophobicContact CG-CE1 4.27Å; R1324-Y1328 HydrophobicContact CG-CE2 4.2Å; R1324-Y1328 PolarHBondContact O-N 3.33Å; R1324-Y1328 VanDerWaalsContact O-N 3.16Å; F1325-Y1328 PolarHBondContact O-N 3.33Å; F1326-Y1328 VanDerWaalsContact C-N 3.27Å; F1326-Y1328 PolarHBondContact O-N 3.4Å; Y1328-L1330 VanDerWaalsContact C-N 3.34Å; Y1328-L1330 PolarHBondContact O-N 3.01Å; Y1328-I1331 PolarHBondContact O-N 2.83Å; Y1328-E1332 WeakPolarHBondContact O-CB 3.49Å; Y1328-E1332 PolarHBondContact O-N 3.41Å; Y1328-T1396 HydrophobicContact CE1-CG2 3.75Å; Y1328-Q1400 HydrophobicContact CD1-CB 3.88Å; Y1328-Q1400 HydrophobicContact CD1-CG 3.55Å; Y1328-Q1400 HydrophobicContact CE1-CB 3.93Å; Y1328-Q1400 HydrophobicContact CE1-CG 4.08Å; Y1328-Q1400 HydrophobicContact CG-CG 3.93Å; Y1328-R1430 PolarHBondContact OH-NH2 2.87Å |
| 1329 | W | 92.2 | Very high | 85.6 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 176 | 173.2 | 84.4 | 0 | 0 | 0 | 111.8 | F1261 F1264 G1265 P1267 F1325 F1326 I1331 E1332 K1333 | F1261-W1329 HydrophobicContact CD1-CH2 4.21Å; F1261-W1329 HydrophobicContact CD1-CZ3 4.31Å; F1261-W1329 HydrophobicContact CE1-CH2 4.45Å; F1261-W1329 HydrophobicContact CE1-CZ3 4.33Å; F1264-W1329 HydrophobicContact CB-CH2 3.92Å; F1264-W1329 HydrophobicContact CB-CZ2 4.11Å; G1265-W1329 WeakPolarHBondContact O-CH2 3.35Å; G1265-W1329 WeakPolarHBondContact O-CZ2 3.41Å; P1267-W1329 HydrophobicContact CB-CD2 4.1Å; P1267-W1329 HydrophobicContact CB-CG 4.2Å; P1267-W1329 HydrophobicContact CG-CD2 4.21Å; P1267-W1329 HydrophobicContact CG-CE3 4.38Å; P1267-W1329 HydrophobicContact CG-CZ2 4.38Å; F1325-W1329 WeakPolarHBondContact O-CB 3.29Å; F1325-W1329 PolarHBondContact O-N 3.48Å; F1326-W1329 AromaticContact CD2-CE3 3.96Å; F1326-W1329 HydrophobicContact CD2-CE3 3.96Å; F1326-W1329 HydrophobicContact CD2-CZ3 4.24Å; F1326-W1329 AromaticContact CE2-CE3 3.86Å; F1326-W1329 HydrophobicContact CE2-CE3 3.86Å; F1326-W1329 AromaticContact CE2-CZ3 3.69Å; F1326-W1329 HydrophobicContact CE2-CZ3 3.69Å; F1326-W1329 HydrophobicContact CZ-CZ3 4.36Å; F1326-W1329 PolarHBondContact O-N 3.31Å; W1329-I1331 PolarHBondContact O-N 2.92Å; W1329-E1332 PolarHBondContact O-N 2.96Å; W1329-K1333 HydrophobicContact CD2-CG 4.24Å; W1329-K1333 HydrophobicContact CZ2-CG 4.05Å; W1329-K1333 WeakPolarHBondContact O-CG 2.97Å; W1329-K1333 PolarHBondContact O-N 3.12Å |
| 1330 | L | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | -178.9 | 179.6 | 60.9 | 0 | 0 | 0 | 111.2 | F1264 F1326 Y1328 E1332 K1333 C1334 F1379 A1383 | F1264-L1330 HydrophobicContact CD2-CD1 3.98Å; F1264-L1330 HydrophobicContact CE2-CD1 3.87Å; F1326-L1330 HydrophobicContact CE1-CB 4.34Å; F1326-L1330 HydrophobicContact CE1-CD2 4Å; F1326-L1330 HydrophobicContact CZ-CD2 4.34Å; F1326-L1330 VanDerWaalsContact O-CB 3.29Å; F1326-L1330 WeakPolarHBondContact O-CB 3.5Å; F1326-L1330 PolarHBondContact O-N 3.3Å; Y1328-L1330 VanDerWaalsContact C-N 3.34Å; Y1328-L1330 PolarHBondContact O-N 3.01Å; L1330-E1332 PolarHBondContact O-N 2.7Å; L1330-K1333 PolarHBondContact O-N 3.27Å; L1330-C1334 PolarHBondContact O-N 3.43Å; L1330-C1334 PolarHBondContact O-SG 3.3Å; L1330-F1379 HydrophobicContact CD1-CB 4.4Å; L1330-F1379 HydrophobicContact CD1-CD1 3.89Å; L1330-A1383 HydrophobicContact CD2-CB 3.98Å |
| 1331 | I | 90 | Very high | 84.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | -179.9 | -67.5 | 164.7 | 0 | 0 | 0 | 110.8 | L1327 Y1328 W1329 K1333 C1334 V1335 A1383 V1397 Q1400 H1401 S1404 | L1327-I1331 VanDerWaalsContact O-CD1 3.28Å; L1327-I1331 WeakPolarHBondContact O-CD1 3.46Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.48Å; L1327-I1331 PolarHBondContact O-N 3.13Å; Y1328-I1331 PolarHBondContact O-N 2.83Å; W1329-I1331 PolarHBondContact O-N 2.92Å; I1331-K1333 VanDerWaalsContact C-N 3.35Å; I1331-K1333 PolarHBondContact O-N 3.32Å; I1331-C1334 PolarHBondContact O-N 2.81Å; I1331-V1335 WeakPolarHBondContact O-CG2 3.29Å; I1331-V1335 PolarHBondContact O-N 3.28Å; I1331-A1383 HydrophobicContact CD1-CB 4.47Å; I1331-A1383 HydrophobicContact CG1-CB 3.95Å; I1331-V1397 HydrophobicContact CD1-CB 4.26Å; I1331-V1397 HydrophobicContact CD1-CG1 3.58Å; I1331-V1397 HydrophobicContact CG1-CG1 4.39Å; I1331-Q1400 HydrophobicContact CB-CG 4.35Å; I1331-Q1400 HydrophobicContact CD1-CB 3.95Å; I1331-Q1400 HydrophobicContact CD1-CG 3.97Å; I1331-Q1400 HydrophobicContact CG2-CG 4.25Å; I1331-H1401 HydrophobicContact CG2-CB 4.03Å; I1331-S1404 VanDerWaalsContact CG2-OG 3.3Å; I1331-S1404 WeakPolarHBondContact CG2-OG 3.25Å |
| 1332 | E | 87.7 | Confident | 82.9 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.7 | -172.2 | -169.9 | 149.5 | 0 | 0 | 111.1 | Y1328 W1329 L1330 V1335 A1336 | Y1328-E1332 WeakPolarHBondContact O-CB 3.49Å; Y1328-E1332 PolarHBondContact O-N 3.41Å; W1329-E1332 PolarHBondContact O-N 2.96Å; L1330-E1332 PolarHBondContact O-N 2.7Å; E1332-V1335 PolarHBondContact O-N 3.44Å; E1332-A1336 VanDerWaalsContact O-CB 3.27Å; E1332-A1336 WeakPolarHBondContact O-CB 3.4Å; E1332-A1336 PolarHBondContact O-N 3.49Å |
| 1333 | K | 86.8 | Confident | 81.2 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.4 | -69.1 | -58.4 | -176.8 | -171.3 | 0 | 113.1 | F1264 W1329 L1330 I1331 V1335 A1336 Y1337 | F1264-K1333 HydrophobicContact CB-CB 3.93Å; F1264-K1333 HydrophobicContact CB-CG 4.11Å; F1264-K1333 HydrophobicContact CD1-CB 3.98Å; F1264-K1333 HydrophobicContact CD2-CB 4.21Å; F1264-K1333 HydrophobicContact CG-CB 3.78Å; W1329-K1333 HydrophobicContact CD2-CG 4.24Å; W1329-K1333 HydrophobicContact CZ2-CG 4.05Å; W1329-K1333 WeakPolarHBondContact O-CG 2.97Å; W1329-K1333 PolarHBondContact O-N 3.12Å; L1330-K1333 PolarHBondContact O-N 3.27Å; I1331-K1333 VanDerWaalsContact C-N 3.35Å; I1331-K1333 PolarHBondContact O-N 3.32Å; K1333-V1335 VanDerWaalsContact C-N 3.35Å; K1333-V1335 PolarHBondContact O-N 2.9Å; K1333-A1336 PolarHBondContact O-N 3.3Å; K1333-Y1337 WeakPolarHBondContact O-CB 3.32Å; K1333-Y1337 PolarHBondContact O-N 2.95Å |
| 1334 | C | 87 | Confident | 78.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | L1330 I1331 Y1337 L1338 Y1376 F1379 | L1330-C1334 PolarHBondContact O-N 3.43Å; L1330-C1334 PolarHBondContact O-SG 3.3Å; I1331-C1334 PolarHBondContact O-N 2.81Å; C1334-Y1337 WeakPolarHBondContact O-CB 3.45Å; C1334-Y1337 PolarHBondContact O-N 3.02Å; C1334-L1338 PolarHBondContact O-N 3.38Å; C1334-L1338 VanDerWaalsContact O-N 3.12Å; C1334-Y1376 HydrophobicContact CB-CD2 4.1Å; C1334-Y1376 WeakPolarHBondContact O-CD2 3.25Å; C1334-F1379 WeakPolarHBondContact SG-CB 3.39Å |
| 1335 | V | 85.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.5 | -41.1 | -179.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | I1331 E1332 K1333 Y1337 L1338 S1339 Y1376 S1404 L1405 A1408 L1410 | I1331-V1335 WeakPolarHBondContact O-CG2 3.29Å; I1331-V1335 PolarHBondContact O-N 3.28Å; E1332-V1335 PolarHBondContact O-N 3.44Å; K1333-V1335 VanDerWaalsContact C-N 3.35Å; K1333-V1335 PolarHBondContact O-N 2.9Å; V1335-Y1337 VanDerWaalsContact C-N 3.25Å; V1335-Y1337 PolarHBondContact O-N 2.86Å; V1335-L1338 WeakPolarHBondContact O-CB 3.47Å; V1335-L1338 PolarHBondContact O-N 3.31Å; V1335-L1338 VanDerWaalsContact O-N 3.14Å; V1335-S1339 PolarHBondContact O-N 3.29Å; V1335-Y1376 HydrophobicContact CG2-CE2 3.86Å; V1335-S1404 WeakPolarHBondContact CG1-O 3.48Å; V1335-L1405 HydrophobicContact CG1-CD2 3.96Å; V1335-L1405 HydrophobicContact CG1-CG 4.44Å; V1335-L1405 HydrophobicContact CG2-CD2 4.03Å; V1335-L1405 HydrophobicContact CG2-CG 4.17Å; V1335-A1408 HydrophobicContact CG1-CB 3.55Å; V1335-L1410 HydrophobicContact CG1-CD1 4.32Å |
| 1336 | A | 80 | Confident | 74.9 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | E1332 K1333 L1338 S1339 L1340 | E1332-A1336 VanDerWaalsContact O-CB 3.27Å; E1332-A1336 WeakPolarHBondContact O-CB 3.4Å; E1332-A1336 PolarHBondContact O-N 3.49Å; K1333-A1336 PolarHBondContact O-N 3.3Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; A1336-S1339 WeakPolarHBondContact CA-OG 3.28Å; A1336-S1339 PolarHBondContact O-N 2.99Å; A1336-S1339 PolarHBondContact O-OG 3.35Å; A1336-L1340 WeakPolarHBondContact O-CG 3.21Å; A1336-L1340 PolarHBondContact O-N 2.96Å |
| 1337 | Y | 78.4 | Confident | 72.4 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 174.6 | -161 | -101.7 | 0 | 0 | 0 | 112 | F1264 K1333 C1334 V1335 A1372 I1375 | F1264-Y1337 HydrophobicContact CE1-CD2 4.34Å; F1264-Y1337 HydrophobicContact CE1-CG 4.12Å; K1333-Y1337 WeakPolarHBondContact O-CB 3.32Å; K1333-Y1337 PolarHBondContact O-N 2.95Å; C1334-Y1337 WeakPolarHBondContact O-CB 3.45Å; C1334-Y1337 PolarHBondContact O-N 3.02Å; V1335-Y1337 VanDerWaalsContact C-N 3.25Å; V1335-Y1337 PolarHBondContact O-N 2.86Å; Y1337-A1372 HydrophobicContact CD1-CB 3.64Å; Y1337-A1372 HydrophobicContact CE1-CB 3.43Å; Y1337-A1372 VanDerWaalsContact CE1-CB 3.43Å; Y1337-I1375 HydrophobicContact CD1-CB 4.38Å; Y1337-I1375 HydrophobicContact CD1-CG2 4.15Å; Y1337-I1375 HydrophobicContact CE1-CB 4.29Å; Y1337-I1375 HydrophobicContact CE1-CD1 3.73Å; Y1337-I1375 HydrophobicContact CE1-CG2 4.29Å |
| 1338 | L | 79.5 | Confident | 69.4 | Low | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -36 | 174.5 | -176.2 | 66.8 | 0 | 0 | 0 | 112.5 | C1334 V1335 A1336 L1340 L1341 V1373 Y1376 L1410 | C1334-L1338 PolarHBondContact O-N 3.38Å; C1334-L1338 VanDerWaalsContact O-N 3.12Å; V1335-L1338 WeakPolarHBondContact O-CB 3.47Å; V1335-L1338 PolarHBondContact O-N 3.31Å; V1335-L1338 VanDerWaalsContact O-N 3.14Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; L1338-L1340 PolarHBondContact O-N 3.24Å; L1338-L1341 PolarHBondContact O-N 3.41Å; L1338-V1373 HydrophobicContact CD1-CG2 4.15Å; L1338-Y1376 HydrophobicContact CB-CD2 4.04Å; L1338-Y1376 HydrophobicContact CB-CG 4.23Å; L1338-Y1376 HydrophobicContact CD1-CG 4.48Å; L1338-Y1376 HydrophobicContact CD2-CD1 3.96Å; L1338-Y1376 HydrophobicContact CD2-CD2 3.99Å; L1338-Y1376 HydrophobicContact CD2-CE1 3.89Å; L1338-Y1376 HydrophobicContact CD2-CE2 3.92Å; L1338-Y1376 HydrophobicContact CD2-CG 3.99Å; L1338-Y1376 HydrophobicContact CG-CG 4.47Å; L1338-L1410 HydrophobicContact CD2-CD1 4.06Å; L1338-L1410 HydrophobicContact CG-CD1 4.39Å |
| 1339 | S | 70 | Confident | 66.5 | Low | 40 Ų | 40 | 63.4 Ų | 63.4 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72 | -15.7 | -178 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | V1335 A1336 L1341 R1346 | V1335-S1339 PolarHBondContact O-N 3.29Å; A1336-S1339 WeakPolarHBondContact CA-OG 3.28Å; A1336-S1339 PolarHBondContact O-N 2.99Å; A1336-S1339 PolarHBondContact O-OG 3.35Å; S1339-L1341 VanDerWaalsContact C-N 3.26Å; S1339-L1341 PolarHBondContact O-N 2.81Å; S1339-R1346 PolarHBondContact O-NH2 3.11Å |
| 1340 | L | 71.1 | Confident | 63.4 | Low | 133 Ų | 133 | 68.5 Ų | 68.5 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.3 | 172.6 | -72.9 | 163.1 | 0 | 0 | 0 | 113.2 | A1336 L1338 | A1336-L1340 WeakPolarHBondContact O-CG 3.21Å; A1336-L1340 PolarHBondContact O-N 2.96Å; L1338-L1340 PolarHBondContact O-N 3.24Å |
| 1341 | L | 63.8 | Low | 60.3 | Low | 31 Ų | 31 | 75.3 Ų | 75.3 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -76.8 | 140.4 | 178.8 | -99.9 | 66.5 | 0 | 0 | 0 | 112.4 | L1338 S1339 Q1345 R1346 A1372 V1373 | L1338-L1341 PolarHBondContact O-N 3.41Å; S1339-L1341 VanDerWaalsContact C-N 3.26Å; S1339-L1341 PolarHBondContact O-N 2.81Å; L1341-Q1345 HydrophobicContact CD2-CB 4.09Å; L1341-R1346 HydrophobicContact CB-CG 4.47Å; L1341-R1346 VanDerWaalsContact O-CZ 3.23Å; L1341-R1346 PolarHBondContact O-NE 3.41Å; L1341-R1346 PolarHBondContact O-NH2 2.62Å; L1341-A1372 HydrophobicContact CD1-CB 3.22Å; L1341-A1372 HydrophobicContact CD2-CB 4.11Å; L1341-A1372 HydrophobicContact CG-CB 4.3Å; L1341-V1373 HydrophobicContact CD2-CG2 4.17Å |
| 1342 | P | 54.3 | Low | 57.3 | Low | 70 Ų | 70 | 84.9 Ų | 84.9 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | trans | -56.4 | 143.6 | 169.3 | -19.5 | 29.8 | 0 | 0 | 0 | 111.7 | S1344 Q1345 | P1342-S1344 PolarHBondContact O-N 3.26Å; P1342-Q1345 PolarHBondContact O-N 3.26Å | ||
| 1343 | N | 50.4 | Low | 54.4 | Low | 119 Ų | 119 | 84.9 Ų | 84.9 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -52.9 | -32 | -176.5 | -79.8 | -15.6 | 0 | 0 | 0 | 113.9 | Q1345 R1346 | N1343-Q1345 VanDerWaalsContact C-N 3.31Å; N1343-Q1345 PolarHBondContact O-N 2.65Å; N1343-R1346 PolarHBondContact O-N 2.96Å; N1343-R1346 VanDerWaalsContact OD1-CZ 3.3Å; N1343-R1346 PolarHBondContact OD1-NH1 3.09Å |
| 1344 | S | 41.2 | Very low | 51.6 | Low | 96 Ų | 96 | 85.3 Ų | 85.3 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -64.2 | -29.2 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | P1342 | P1342-S1344 PolarHBondContact O-N 3.26Š|
| 1345 | Q | 47.7 | Very low | 49 | Very low | 110 Ų | 110 | 90.9 Ų | 90.9 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -88.4 | -6.4 | -179.5 | -69.1 | -178.5 | -14.9 | 0 | 0 | 113.4 | L1341 P1342 N1343 | L1341-Q1345 HydrophobicContact CD2-CB 4.09Å; P1342-Q1345 PolarHBondContact O-N 3.26Å; N1343-Q1345 VanDerWaalsContact C-N 3.31Å; N1343-Q1345 PolarHBondContact O-N 2.65Å |
| 1346 | R | 44.6 | Very low | 46.4 | Very low | 68 Ų | 68 | 97.1 Ų | 97.1 | 26% | 0.257 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -82 | -20.1 | -175.7 | -62.7 | -179 | -170.7 | 176.1 | -2.4 | 114 | S1339 L1341 N1343 | S1339-R1346 PolarHBondContact O-NH2 3.11Å; L1341-R1346 HydrophobicContact CB-CG 4.47Å; L1341-R1346 VanDerWaalsContact O-CZ 3.23Å; L1341-R1346 PolarHBondContact O-NE 3.41Å; L1341-R1346 PolarHBondContact O-NH2 2.62Å; N1343-R1346 PolarHBondContact O-N 2.96Å; N1343-R1346 VanDerWaalsContact OD1-CZ 3.3Å; N1343-R1346 PolarHBondContact OD1-NH1 3.09Å |
| 1347 | C | 38.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 100.1 Ų | 100.1 | 72% | 0.723 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -113.4 | -0.3 | -169.4 | -71.3 | 0 | 0 | 0 | 0 | 115.7 | T1349 | C1347-T1349 PolarHBondContact O-N 2.97Å; C1347-T1349 VanDerWaalsContact O-N 3.07Å |
| 1348 | T | 28.3 | Very low | 42 | Very low | 108 Ų | 108 | 100.4 Ų | 100.4 | 66% | 0.663 | 56% | 0.559 | S | S | * | * | trans | -79.5 | 96.7 | 176 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1349 | T | 27.9 | Very low | 39.7 | Very low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | trans | -51.3 | 136.4 | 141.4 | 37.1 | 0 | 0 | 0 | 0 | 107 | C1347 L1351 | C1347-T1349 PolarHBondContact O-N 2.97Å; C1347-T1349 VanDerWaalsContact O-N 3.07Å; T1349-L1351 PolarHBondContact O-N 2.77Å | ||
| 1350 | P | 28.1 | Very low | 37.7 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | trans | -69 | 85.6 | -175.4 | 28.1 | -32.3 | 0 | 0 | 0 | 108.7 | F1352 | P1350-F1352 PolarHBondContact O-N 3.03Š| ||
| 1351 | L | 26.4 | Very low | 35.9 | Very low | 144 Ų | 144 | 109.4 Ų | 109.4 | 75% | 0.754 | 60% | 0.595 | S | S | * | * | trans | -81.1 | 102.8 | 167.6 | -135.6 | 92.5 | 0 | 0 | 0 | 105.5 | T1349 T1353 | T1349-L1351 PolarHBondContact O-N 2.77Å; L1351-T1353 PolarHBondContact O-N 3.29Å | ||
| 1352 | F | 27.4 | Very low | 34.4 | Very low | 202 Ų | 202 | 112.8 Ų | 112.8 | 89% | 0.886 | 62% | 0.617 | S | S | * | * | trans | 19.9 | 73 | 162.4 | -64.8 | -81.5 | 0 | 0 | 0 | 114.9 | P1350 S1354 | P1350-F1352 PolarHBondContact O-N 3.03Å; F1352-S1354 PolarHBondContact O-N 3.03Å; F1352-S1354 VanDerWaalsContact O-N 3.16Å | ||
| 1353 | T | 26.1 | Very low | 33.1 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | trans | -63.4 | 116.3 | 162.2 | 47.3 | 0 | 0 | 0 | 0 | 106.7 | L1351 N1355 | L1351-T1353 PolarHBondContact O-N 3.29Å; T1353-N1355 PolarHBondContact O-N 3.26Å | ||
| 1354 | S | 27.9 | Very low | 31.9 | Very low | 84 Ų | 84 | 117.1 Ų | 117.1 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | trans | -50.9 | 134.8 | 179.8 | 40.9 | 0 | 0 | 0 | 0 | 110.9 | F1352 E1356 D1357 | F1352-S1354 PolarHBondContact O-N 3.03Å; F1352-S1354 VanDerWaalsContact O-N 3.16Å; S1354-E1356 PolarHBondContact O-N 3.38Å; S1354-D1357 PolarHBondContact O-N 3Å | ||
| 1355 | N | 31.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -12.1 | -172 | -77.4 | -14.7 | 0 | 0 | 0 | 116.9 | T1353 | T1353-N1355 PolarHBondContact O-N 3.26Š|
| 1356 | E | 31.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.2 | -29.9 | 179.1 | -69.9 | -158.8 | 165.3 | 0 | 0 | 113.4 | S1354 | S1354-E1356 PolarHBondContact O-N 3.38Å |
| 1357 | D | 30.7 | Very low | 30.1 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.3 | -26.2 | -178.7 | -69.6 | -32.3 | 0 | 0 | 0 | 112.8 | S1354 I1359 S1361 | S1354-D1357 PolarHBondContact O-N 3Å; D1357-I1359 VanDerWaalsContact C-N 3.34Å; D1357-I1359 PolarHBondContact O-N 3.04Å; D1357-S1361 PolarHBondContact O-N 2.88Å; D1357-S1361 PolarHBondContact O-OG 2.92Å |
| 1358 | I | 34.8 | Very low | 30.6 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 47% | 0.472 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.6 | -31.9 | 178.2 | -60.4 | 175.1 | 0 | 0 | 0 | 111.1 | S1361 | I1358-S1361 PolarHBondContact O-OG 3.01Å |
| 1359 | I | 31.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 123.1 Ų | 123.1 | 47% | 0.472 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.5 | -32.9 | -178.6 | -60.3 | 174.3 | 0 | 0 | 0 | 110.6 | K968 D1357 | K968-I1359 VanDerWaalsContact CE-CD1 3.45Å; D1357-I1359 VanDerWaalsContact C-N 3.34Å; D1357-I1359 PolarHBondContact O-N 3.04Å |
| 1360 | R | 29.4 | Very low | 34.2 | Very low | 200 Ų | 200 | 118.7 Ų | 118.7 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.5 | -23.2 | 175.2 | -74 | -174.3 | 176.9 | 178.5 | 2 | 113.4 | ||
| 1361 | S | 31.9 | Very low | 36.2 | Very low | 85 Ų | 85 | 114.5 Ų | 114.5 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -14 | 177.3 | 65.2 | 0 | 0 | 0 | 0 | 114.6 | D1357 I1358 | D1357-S1361 PolarHBondContact O-N 2.88Å; D1357-S1361 PolarHBondContact O-OG 2.92Å; I1358-S1361 PolarHBondContact O-OG 3.01Å |
| 1362 | V | 32.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -23.9 | 179.7 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1363 | N | 27.1 | Very low | 40.7 | Very low | 129 Ų | 129 | 101.1 Ų | 101.1 | 69% | 0.69 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -107.7 | 8.7 | -167.9 | -79 | -8.8 | 0 | 0 | 0 | 116.6 | ||
| 1364 | H | 24.9 | Very low | 43.2 | Very low | 151 Ų | 151 | 99.2 Ų | 99.2 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -140.3 | 109.4 | 177.2 | -73.8 | -61.8 | 0 | 0 | 0 | 114.4 | ||
| 1365 | Q | 25.1 | Very low | 45.8 | Very low | 169 Ų | 169 | 95.7 Ų | 95.7 | 79% | 0.79 | 51% | 0.514 | S | S | * | . | trans | 58.3 | 95.8 | 143.5 | -63.5 | -177.9 | -17.1 | 0 | 0 | 119.6 | E1367 | Q1365-E1367 PolarHBondContact O-N 2.92Å; Q1365-E1367 VanDerWaalsContact O-N 3.07Å | ||
| 1366 | S | 32.8 | Very low | 48.3 | Very low | 129 Ų | 129 | 91.2 Ų | 91.2 | 90% | 0.902 | 49% | 0.488 | S | S | * | . | trans | 51.4 | 32 | 130 | 68.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1367 | E | 38.9 | Very low | 50.8 | Low | 180 Ų | 180 | 91.9 Ų | 91.9 | 84% | 0.841 | 49% | 0.485 | S | S | * | . | trans | -112.3 | 135.5 | 167 | -69 | -173.9 | 166.2 | 0 | 0 | 111 | Q1365 T1369 | Q1365-E1367 PolarHBondContact O-N 2.92Å; Q1365-E1367 VanDerWaalsContact O-N 3.07Å; E1367-T1369 PolarHBondContact O-N 2.79Å | ||
| 1368 | C | 47.2 | Very low | 53.5 | Low | 79 Ų | 79 | 89.8 Ų | 89.8 | 53% | 0.534 | 47% | 0.469 | S | S | . | . | trans | -38.1 | 131.3 | -175.2 | -84.9 | 0 | 0 | 0 | 0 | 113.9 | F1370 | C1368-F1370 PolarHBondContact O-N 2.92Å; C1368-F1370 VanDerWaalsContact O-N 3.16Å | ||
| 1369 | T | 62.4 | Low | 56.1 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 36% | 0.362 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -62 | -23.9 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | I1084 D1146 E1367 | I1084-T1369 HydrophobicContact CG2-CG2 3.57Å; D1146-T1369 PolarHBondContact OD2-N 3.41Å; D1146-T1369 PolarHBondContact OD2-OG1 3.19Å; E1367-T1369 PolarHBondContact O-N 2.79Å |
| 1370 | F | 69.7 | Low | 58.8 | Low | 15 Ų | 15 | 81.7 Ų | 81.7 | 7% | 0.066 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -98.2 | 119.5 | 178.6 | -65.4 | -69.7 | 0 | 0 | 0 | 112.5 | I1088 D1146 V1149 C1150 C1368 D1374 I1375 | I1088-F1370 HydrophobicContact CD1-CE1 4.08Å; I1088-F1370 HydrophobicContact CD1-CE2 4.19Å; I1088-F1370 HydrophobicContact CD1-CZ 3.63Å; I1088-F1370 HydrophobicContact CG1-CE1 4.46Å; I1088-F1370 HydrophobicContact CG1-CZ 3.8Å; D1146-F1370 HydrophobicContact CB-CD2 4.2Å; D1146-F1370 HydrophobicContact CB-CE2 4.08Å; V1149-F1370 HydrophobicContact CB-CD2 3.84Å; V1149-F1370 HydrophobicContact CB-CE2 3.89Å; V1149-F1370 HydrophobicContact CB-CG 4.48Å; V1149-F1370 HydrophobicContact CG1-CD1 4.18Å; V1149-F1370 HydrophobicContact CG1-CD2 3.68Å; V1149-F1370 HydrophobicContact CG1-CE1 4.34Å; V1149-F1370 HydrophobicContact CG1-CE2 3.82Å; V1149-F1370 HydrophobicContact CG1-CG 3.85Å; V1149-F1370 HydrophobicContact CG1-CZ 4.14Å; V1149-F1370 HydrophobicContact CG2-CD2 4.37Å; C1150-F1370 VanDerWaalsContact SG-CZ 3.53Å; C1368-F1370 PolarHBondContact O-N 2.92Å; C1368-F1370 VanDerWaalsContact O-N 3.16Å; F1370-D1374 HydrophobicContact CD1-CB 4.47Å; F1370-I1375 HydrophobicContact CB-CD1 4.48Å; F1370-I1375 HydrophobicContact CB-CG1 4.15Å |
| 1371 | G | 69.9 | Low | 61.6 | Low | 39 Ų | 39 | 74.2 Ų | 74.2 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | trans | -67.8 | 160.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1373 D1374 I1375 | G1371-V1373 PolarHBondContact O-N 3.27Å; G1371-D1374 PolarHBondContact O-N 3.31Å; G1371-I1375 PolarHBondContact O-N 2.85Å; G1371-I1375 VanDerWaalsContact O-N 3.14Å | ||
| 1372 | A | 73 | Confident | 64.4 | Low | 14 Ų | 14 | 70.4 Ų | 70.4 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -30.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1337 L1341 D1374 Y1376 | Y1337-A1372 HydrophobicContact CD1-CB 3.64Å; Y1337-A1372 HydrophobicContact CE1-CB 3.43Å; Y1337-A1372 VanDerWaalsContact CE1-CB 3.43Å; L1341-A1372 HydrophobicContact CD1-CB 3.22Å; L1341-A1372 HydrophobicContact CD2-CB 4.11Å; L1341-A1372 HydrophobicContact CG-CB 4.3Å; A1372-D1374 VanDerWaalsContact C-N 3.33Å; A1372-Y1376 VanDerWaalsContact O-CB 3.29Å; A1372-Y1376 WeakPolarHBondContact O-CB 3.33Å; A1372-Y1376 PolarHBondContact O-N 3.24Å |
| 1373 | V | 77 | Confident | 67.1 | Low | 51 Ų | 51 | 65.6 Ų | 65.6 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L1338 L1341 G1371 R1377 | L1338-V1373 HydrophobicContact CD1-CG2 4.15Å; L1341-V1373 HydrophobicContact CD2-CG2 4.17Å; G1371-V1373 PolarHBondContact O-N 3.27Å; V1373-R1377 WeakPolarHBondContact O-CB 3.37Å; V1373-R1377 PolarHBondContact O-N 3.49Å |
| 1374 | D | 78 | Confident | 70.1 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.6 | -39.5 | 179.5 | -66.5 | -44.3 | 0 | 0 | 0 | 111.8 | F1370 G1371 A1372 R1377 R1378 | F1370-D1374 HydrophobicContact CD1-CB 4.47Å; G1371-D1374 PolarHBondContact O-N 3.31Å; A1372-D1374 VanDerWaalsContact C-N 3.33Å; D1374-R1377 PolarHBondContact O-N 3.05Å; D1374-R1377 IonicContact OD1-CZ 3.11Å; D1374-R1377 IonicContact OD1-NH1 2.73Å; D1374-R1377 PolarHBondContact OD1-NH1 3.12Å; D1374-R1378 WeakPolarHBondContact O-CB 2.66Å; D1374-R1378 WeakPolarHBondContact O-CG 3.01Å; D1374-R1378 PolarHBondContact O-N 3.44Å |
| 1375 | I | 82.5 | Confident | 73 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 171.4 | -67.1 | 172.7 | 0 | 0 | 0 | 109.3 | I1263 F1264 Y1337 F1370 G1371 R1377 R1378 F1379 | I1263-I1375 HydrophobicContact CG2-CG2 4.2Å; F1264-I1375 HydrophobicContact CE1-CG2 4.13Å; F1264-I1375 HydrophobicContact CZ-CG2 3.79Å; Y1337-I1375 HydrophobicContact CD1-CB 4.38Å; Y1337-I1375 HydrophobicContact CD1-CG2 4.15Å; Y1337-I1375 HydrophobicContact CE1-CB 4.29Å; Y1337-I1375 HydrophobicContact CE1-CD1 3.73Å; Y1337-I1375 HydrophobicContact CE1-CG2 4.29Å; F1370-I1375 HydrophobicContact CB-CD1 4.48Å; F1370-I1375 HydrophobicContact CB-CG1 4.15Å; G1371-I1375 PolarHBondContact O-N 2.85Å; G1371-I1375 VanDerWaalsContact O-N 3.14Å; I1375-R1377 PolarHBondContact O-N 3.36Å; I1375-R1378 PolarHBondContact O-N 3.25Å; I1375-F1379 HydrophobicContact CG2-CD2 3.88Å; I1375-F1379 HydrophobicContact CG2-CE2 4.2Å; I1375-F1379 WeakPolarHBondContact O-CD2 3.29Å; I1375-F1379 PolarHBondContact O-N 3.38Å |
| 1376 | Y | 84.7 | Confident | 76 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 176.1 | 169.1 | -100.8 | 0 | 0 | 0 | 112.4 | C1334 V1335 L1338 A1372 R1378 S1380 H1401 | C1334-Y1376 HydrophobicContact CB-CD2 4.1Å; C1334-Y1376 WeakPolarHBondContact O-CD2 3.25Å; V1335-Y1376 HydrophobicContact CG2-CE2 3.86Å; L1338-Y1376 HydrophobicContact CB-CD2 4.04Å; L1338-Y1376 HydrophobicContact CB-CG 4.23Å; L1338-Y1376 HydrophobicContact CD1-CG 4.48Å; L1338-Y1376 HydrophobicContact CD2-CD1 3.96Å; L1338-Y1376 HydrophobicContact CD2-CD2 3.99Å; L1338-Y1376 HydrophobicContact CD2-CE1 3.89Å; L1338-Y1376 HydrophobicContact CD2-CE2 3.92Å; L1338-Y1376 HydrophobicContact CD2-CG 3.99Å; L1338-Y1376 HydrophobicContact CG-CG 4.47Å; A1372-Y1376 VanDerWaalsContact O-CB 3.29Å; A1372-Y1376 WeakPolarHBondContact O-CB 3.33Å; A1372-Y1376 PolarHBondContact O-N 3.24Å; Y1376-R1378 PolarHBondContact O-N 3.43Å; Y1376-S1380 WeakPolarHBondContact O-CB 3.39Å; Y1376-S1380 PolarHBondContact O-N 3.15Å; Y1376-S1380 PolarHBondContact O-OG 3.28Å; Y1376-H1401 AromaticContact CE2-CE1 3.74Å; Y1376-H1401 AromaticContact CZ-CE1 3.59Å; Y1376-H1401 AromaticContact CZ-NE2 3.99Å; Y1376-H1401 PolarHBondContact OH-CE1 3.23Å; Y1376-H1401 PolarHBondContact OH-NE2 3.19Å |
| 1377 | R | 84 | Confident | 78.6 | Confident | 148 Ų | 148 | 42.4 Ų | 42.4 | 56% | 0.558 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.8 | -42 | -178.8 | -168.4 | -170.8 | -63.5 | 126.5 | 1.4 | 112 | V1373 D1374 I1375 S1380 S1381 | V1373-R1377 WeakPolarHBondContact O-CB 3.37Å; V1373-R1377 PolarHBondContact O-N 3.49Å; D1374-R1377 PolarHBondContact O-N 3.05Å; D1374-R1377 IonicContact OD1-CZ 3.11Å; D1374-R1377 IonicContact OD1-NH1 2.73Å; D1374-R1377 PolarHBondContact OD1-NH1 3.12Å; I1375-R1377 PolarHBondContact O-N 3.36Å; R1377-S1380 PolarHBondContact O-OG 3.31Å; R1377-S1381 WeakPolarHBondContact O-CB 3.44Å; R1377-S1381 PolarHBondContact O-N 2.76Å |
| 1378 | R | 86.5 | Confident | 80.9 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -52.3 | 180 | -74.4 | -179.2 | -176.5 | -151.9 | 5.2 | 110.9 | V1149 D1374 I1375 Y1376 S1381 S1382 | V1149-R1378 VanDerWaalsContact CG1-CD 3.48Å; V1149-R1378 PolarHBondContact O-NH1 3.48Å; D1374-R1378 WeakPolarHBondContact O-CB 2.66Å; D1374-R1378 WeakPolarHBondContact O-CG 3.01Å; D1374-R1378 PolarHBondContact O-N 3.44Å; I1375-R1378 PolarHBondContact O-N 3.25Å; Y1376-R1378 PolarHBondContact O-N 3.43Å; R1378-S1381 WeakPolarHBondContact O-CB 3.23Å; R1378-S1381 PolarHBondContact O-N 3.39Å; R1378-S1382 PolarHBondContact O-N 3.32Å; R1378-S1382 PolarHBondContact O-OG 3.02Å |
| 1379 | F | 89.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.4 | -32.3 | -175.2 | -77.3 | -84.9 | 0 | 0 | 0 | 114.1 | V1149 I1152 I1263 F1264 L1330 C1334 I1375 S1381 S1382 A1383 | V1149-F1379 HydrophobicContact CG2-CE2 4.45Å; I1152-F1379 HydrophobicContact CD1-CD1 4.09Å; I1152-F1379 HydrophobicContact CD1-CD2 4.46Å; I1152-F1379 HydrophobicContact CD1-CE1 3.4Å; I1152-F1379 VanDerWaalsContact CD1-CE1 3.4Å; I1152-F1379 HydrophobicContact CD1-CE2 3.8Å; I1152-F1379 HydrophobicContact CD1-CZ 3.22Å; I1263-F1379 HydrophobicContact CD1-CE2 3.32Å; I1263-F1379 HydrophobicContact CD1-CZ 3.36Å; I1263-F1379 HydrophobicContact CG1-CZ 4.43Å; F1264-F1379 HydrophobicContact CE2-CB 4.18Å; F1264-F1379 AromaticContact CE2-CD1 3.93Å; F1264-F1379 HydrophobicContact CE2-CD1 3.93Å; F1264-F1379 HydrophobicContact CE2-CD2 4.02Å; F1264-F1379 HydrophobicContact CE2-CE1 4.3Å; F1264-F1379 HydrophobicContact CE2-CE2 4.43Å; F1264-F1379 AromaticContact CE2-CG 3.76Å; F1264-F1379 HydrophobicContact CE2-CG 3.76Å; F1264-F1379 HydrophobicContact CZ-CB 4.44Å; F1264-F1379 HydrophobicContact CZ-CD2 4.12Å; F1264-F1379 HydrophobicContact CZ-CG 4.19Å; L1330-F1379 HydrophobicContact CD1-CB 4.4Å; L1330-F1379 HydrophobicContact CD1-CD1 3.89Å; C1334-F1379 WeakPolarHBondContact SG-CB 3.39Å; I1375-F1379 HydrophobicContact CG2-CD2 3.88Å; I1375-F1379 HydrophobicContact CG2-CE2 4.2Å; I1375-F1379 WeakPolarHBondContact O-CD2 3.29Å; I1375-F1379 PolarHBondContact O-N 3.38Å; F1379-S1381 VanDerWaalsContact C-N 3.35Å; F1379-S1382 PolarHBondContact O-N 2.98Å; F1379-A1383 PolarHBondContact O-N 2.93Å |
| 1380 | S | 87.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 36 Ų | 36 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 170.4 | 57.5 | 0 | 0 | 0 | 0 | 111 | Y1376 R1377 S1382 A1383 F1384 | Y1376-S1380 WeakPolarHBondContact O-CB 3.39Å; Y1376-S1380 PolarHBondContact O-N 3.15Å; Y1376-S1380 PolarHBondContact O-OG 3.28Å; R1377-S1380 PolarHBondContact O-OG 3.31Å; S1380-S1382 PolarHBondContact O-N 3.29Å; S1380-A1383 WeakPolarHBondContact O-CB 3.38Å; S1380-A1383 PolarHBondContact O-N 3.46Å; S1380-F1384 WeakPolarHBondContact O-CD2 3.5Å; S1380-F1384 PolarHBondContact O-N 3.44Å |
| 1381 | S | 88.5 | Confident | 84.3 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | R1377 R1378 F1379 A1383 F1384 T1385 | R1377-S1381 WeakPolarHBondContact O-CB 3.44Å; R1377-S1381 PolarHBondContact O-N 2.76Å; R1378-S1381 WeakPolarHBondContact O-CB 3.23Å; R1378-S1381 PolarHBondContact O-N 3.39Å; F1379-S1381 VanDerWaalsContact C-N 3.35Å; S1381-A1383 VanDerWaalsContact C-N 3.31Å; S1381-A1383 PolarHBondContact O-N 2.82Å; S1381-F1384 WeakPolarHBondContact O-CB 3.38Å; S1381-F1384 PolarHBondContact O-N 3.3Å; S1381-T1385 PolarHBondContact O-N 3.16Å; S1381-T1385 VanDerWaalsContact O-N 3.15Å; S1381-T1385 PolarHBondContact O-OG1 2.79Å |
| 1382 | S | 90.2 | Very high | 85.1 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | I1152 R1378 F1379 S1380 F1384 T1385 L1386 | I1152-S1382 WeakPolarHBondContact CG2-OG 3.27Å; R1378-S1382 PolarHBondContact O-N 3.32Å; R1378-S1382 PolarHBondContact O-OG 3.02Å; F1379-S1382 PolarHBondContact O-N 2.98Å; S1380-S1382 PolarHBondContact O-N 3.29Å; S1382-F1384 VanDerWaalsContact C-N 3.31Å; S1382-F1384 PolarHBondContact O-N 3.47Å; S1382-T1385 PolarHBondContact O-N 3.33Å; S1382-L1386 WeakPolarHBondContact O-CB 3.19Å; S1382-L1386 PolarHBondContact O-N 2.94Å |
| 1383 | A | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1327 L1330 I1331 F1379 S1380 S1381 A1387 V1397 | L1327-A1383 WeakPolarHBondContact CD2-O 3.43Å; L1330-A1383 HydrophobicContact CD2-CB 3.98Å; I1331-A1383 HydrophobicContact CD1-CB 4.47Å; I1331-A1383 HydrophobicContact CG1-CB 3.95Å; F1379-A1383 PolarHBondContact O-N 2.93Å; S1380-A1383 WeakPolarHBondContact O-CB 3.38Å; S1380-A1383 PolarHBondContact O-N 3.46Å; S1381-A1383 VanDerWaalsContact C-N 3.31Å; S1381-A1383 PolarHBondContact O-N 2.82Å; A1383-A1387 WeakPolarHBondContact O-CB 3.25Å; A1383-A1387 PolarHBondContact O-N 3.49Å; A1383-V1397 HydrophobicContact CB-CG1 4.23Å |
| 1384 | F | 89 | Confident | 86 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 172.7 | -72.9 | -76.8 | 0 | 0 | 0 | 112.3 | S1380 S1381 S1382 A1387 N1388 V1397 V1398 | S1380-F1384 WeakPolarHBondContact O-CD2 3.5Å; S1380-F1384 PolarHBondContact O-N 3.44Å; S1381-F1384 WeakPolarHBondContact O-CB 3.38Å; S1381-F1384 PolarHBondContact O-N 3.3Å; S1382-F1384 VanDerWaalsContact C-N 3.31Å; S1382-F1384 PolarHBondContact O-N 3.47Å; F1384-A1387 PolarHBondContact O-N 3.12Å; F1384-N1388 PolarHBondContact O-N 3.02Å; F1384-V1397 HydrophobicContact CD1-CB 3.82Å; F1384-V1397 HydrophobicContact CD1-CG1 3.59Å; F1384-V1397 HydrophobicContact CD2-CG1 3.98Å; F1384-V1397 HydrophobicContact CE1-CB 3.6Å; F1384-V1397 HydrophobicContact CE1-CG1 3.39Å; F1384-V1397 HydrophobicContact CE2-CG1 3.8Å; F1384-V1397 HydrophobicContact CG-CG1 3.88Å; F1384-V1397 HydrophobicContact CZ-CB 4.16Å; F1384-V1397 HydrophobicContact CZ-CG1 3.5Å; F1384-V1397 VanDerWaalsContact CZ-CG1 3.5Å; F1384-V1398 HydrophobicContact CE1-CG2 3.58Å; F1384-V1398 HydrophobicContact CZ-CG2 3.93Å |
| 1385 | T | 86.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | S1381 S1382 A1387 N1388 H1389 | S1381-T1385 PolarHBondContact O-N 3.16Å; S1381-T1385 VanDerWaalsContact O-N 3.15Å; S1381-T1385 PolarHBondContact O-OG1 2.79Å; S1382-T1385 PolarHBondContact O-N 3.33Å; T1385-A1387 PolarHBondContact O-N 2.9Å; T1385-N1388 WeakPolarHBondContact O-CB 3.28Å; T1385-N1388 PolarHBondContact O-N 3.27Å; T1385-H1389 PolarHBondContact O-CD2 3.37Å; T1385-H1389 PolarHBondContact O-N 2.92Å |
| 1386 | L | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.2 | -78.8 | -178.8 | 0 | 0 | 0 | 112.6 | Q1253 I1256 V1257 F1326 L1327 S1382 N1388 H1389 W1390 | Q1253-L1386 HydrophobicContact CB-CD2 3.89Å; Q1253-L1386 HydrophobicContact CG-CD2 3.78Å; I1256-L1386 HydrophobicContact CB-CD1 4.1Å; I1256-L1386 HydrophobicContact CB-CD2 4.34Å; I1256-L1386 HydrophobicContact CB-CG 4.22Å; I1256-L1386 HydrophobicContact CD1-CD2 4.19Å; I1256-L1386 HydrophobicContact CD1-CG 4.03Å; I1256-L1386 HydrophobicContact CG2-CD1 3.38Å; I1256-L1386 HydrophobicContact CG2-CD2 4.46Å; I1256-L1386 HydrophobicContact CG2-CG 3.84Å; V1257-L1386 HydrophobicContact CG2-CD1 4.37Å; F1326-L1386 HydrophobicContact CD1-CD1 4.21Å; F1326-L1386 HydrophobicContact CE1-CD1 3.51Å; F1326-L1386 HydrophobicContact CZ-CD1 4.48Å; L1327-L1386 HydrophobicContact CD2-CB 3.87Å; S1382-L1386 WeakPolarHBondContact O-CB 3.19Å; S1382-L1386 PolarHBondContact O-N 2.94Å; L1386-N1388 VanDerWaalsContact C-N 3.27Å; L1386-N1388 PolarHBondContact O-N 3.37Å; L1386-H1389 PolarHBondContact O-N 2.94Å; L1386-W1390 HydrophobicContact CB-CE3 4.31Å; L1386-W1390 HydrophobicContact CB-CZ3 4.32Å; L1386-W1390 HydrophobicContact CD1-CH2 3.96Å; L1386-W1390 HydrophobicContact CD1-CZ2 4.38Å; L1386-W1390 HydrophobicContact CD1-CZ3 4.33Å; L1386-W1390 HydrophobicContact CD2-CH2 4.24Å; L1386-W1390 HydrophobicContact CD2-CZ2 3.84Å; L1386-W1390 WeakPolarHBondContact O-CB 3.47Å; L1386-W1390 PolarHBondContact O-N 3.41Å |
| 1387 | A | 87.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1327 A1383 F1384 T1385 W1390 G1391 F1392 V1397 | L1327-A1387 HydrophobicContact CD1-CB 3.82Å; L1327-A1387 HydrophobicContact CD2-CB 4.23Å; A1383-A1387 WeakPolarHBondContact O-CB 3.25Å; A1383-A1387 PolarHBondContact O-N 3.49Å; F1384-A1387 PolarHBondContact O-N 3.12Å; T1385-A1387 PolarHBondContact O-N 2.9Å; A1387-W1390 PolarHBondContact O-N 2.88Å; A1387-G1391 PolarHBondContact O-N 3.49Å; A1387-G1391 VanDerWaalsContact O-N 3.11Å; A1387-F1392 HydrophobicContact CB-CB 4.19Å; A1387-F1392 PolarHBondContact O-N 3.35Å; A1387-V1397 HydrophobicContact CB-CG2 3.31Å |
| 1388 | N | 86.1 | Confident | 87 | Confident | 105 Ų | 105 | 36 Ų | 36 | 56% | 0.561 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.8 | -46.9 | 175.8 | -167.5 | 41.3 | 0 | 0 | 0 | 111.7 | F1384 T1385 L1386 W1390 G1391 | F1384-N1388 PolarHBondContact O-N 3.02Å; T1385-N1388 WeakPolarHBondContact O-CB 3.28Å; T1385-N1388 PolarHBondContact O-N 3.27Å; L1386-N1388 VanDerWaalsContact C-N 3.27Å; L1386-N1388 PolarHBondContact O-N 3.37Å; N1388-W1390 VanDerWaalsContact C-N 3.34Å; N1388-W1390 PolarHBondContact O-N 3.3Å; N1388-G1391 PolarHBondContact O-N 3.08Å |
| 1389 | H | 83.3 | Confident | 87.1 | Confident | 55 Ų | 55 | 33.8 Ų | 33.8 | 26% | 0.255 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.8 | -32 | 178.5 | -70.5 | -55.3 | 0 | 0 | 0 | 113.7 | I1249 E1252 Q1253 T1385 L1386 G1391 | I1249-H1389 WeakPolarHBondContact CG2-ND1 3.38Å; E1252-H1389 IonicContact OE2-NE2 3.73Å; Q1253-H1389 HydrophobicContact CG-CB 4.11Å; T1385-H1389 PolarHBondContact O-CD2 3.37Å; T1385-H1389 PolarHBondContact O-N 2.92Å; L1386-H1389 PolarHBondContact O-N 2.94Å; H1389-G1391 VanDerWaalsContact C-N 3.3Å |
| 1390 | W | 85.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3.1 | 177.7 | -65 | -16.4 | 0 | 0 | 0 | 113.9 | V1257 F1289 R1323 F1326 L1327 L1386 A1387 N1388 F1392 | V1257-W1390 HydrophobicContact CG2-CH2 4.2Å; V1257-W1390 HydrophobicContact CG2-CZ2 4.17Å; F1289-W1390 HydrophobicContact CB-CZ2 4.48Å; R1323-W1390 HydrophobicContact CB-CD2 4.02Å; R1323-W1390 HydrophobicContact CB-CE3 3.57Å; R1323-W1390 HydrophobicContact CB-CZ3 3.86Å; R1323-W1390 HydrophobicContact CG-CD2 3.78Å; R1323-W1390 HydrophobicContact CG-CE3 3.79Å; R1323-W1390 HydrophobicContact CG-CG 4.31Å; R1323-W1390 HydrophobicContact CG-CH2 4.24Å; R1323-W1390 HydrophobicContact CG-CZ2 4.26Å; R1323-W1390 HydrophobicContact CG-CZ3 4.02Å; F1326-W1390 HydrophobicContact CB-CZ3 4.49Å; F1326-W1390 AromaticContact CD1-CH2 3.57Å; F1326-W1390 HydrophobicContact CD1-CH2 3.57Å; F1326-W1390 AromaticContact CD1-CZ3 3.75Å; F1326-W1390 HydrophobicContact CD1-CZ3 3.75Å; F1326-W1390 HydrophobicContact CE1-CH2 4.1Å; F1326-W1390 HydrophobicContact CG-CH2 4.28Å; L1327-W1390 HydrophobicContact CD1-CE3 4.22Å; L1327-W1390 HydrophobicContact CD2-CE3 4.29Å; L1327-W1390 HydrophobicContact CD2-CZ3 4.13Å; L1327-W1390 HydrophobicContact CG-CE3 4.07Å; L1327-W1390 HydrophobicContact CG-CZ3 3.96Å; L1386-W1390 HydrophobicContact CB-CE3 4.31Å; L1386-W1390 HydrophobicContact CB-CZ3 4.32Å; L1386-W1390 HydrophobicContact CD1-CH2 3.96Å; L1386-W1390 HydrophobicContact CD1-CZ2 4.38Å; L1386-W1390 HydrophobicContact CD1-CZ3 4.33Å; L1386-W1390 HydrophobicContact CD2-CH2 4.24Å; L1386-W1390 HydrophobicContact CD2-CZ2 3.84Å; L1386-W1390 WeakPolarHBondContact O-CB 3.47Å; L1386-W1390 PolarHBondContact O-N 3.41Å; A1387-W1390 PolarHBondContact O-N 2.88Å; N1388-W1390 VanDerWaalsContact C-N 3.34Å; N1388-W1390 PolarHBondContact O-N 3.3Å; W1390-F1392 HydrophobicContact CB-CD2 3.71Å; W1390-F1392 HydrophobicContact CB-CE2 3.8Å; W1390-F1392 HydrophobicContact CE3-CE2 4.47Å |
| 1391 | G | 82 | Confident | 87.3 | Confident | 67 Ų | 67 | 34 Ų | 34 | 69% | 0.691 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 20.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1387 N1388 H1389 | A1387-G1391 PolarHBondContact O-N 3.49Å; A1387-G1391 VanDerWaalsContact O-N 3.11Å; N1388-G1391 PolarHBondContact O-N 3.08Å; H1389-G1391 VanDerWaalsContact C-N 3.3Å |
| 1392 | F | 86.7 | Confident | 87.2 | Confident | 24 Ų | 24 | 32 Ų | 32 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | trans | -85.5 | 140.1 | 173 | -67.8 | -74.4 | 0 | 0 | 0 | 110.7 | A1320 R1323 R1324 L1327 A1387 W1390 K1394 | A1320-F1392 WeakPolarHBondContact O-CZ 3.35Å; R1323-F1392 HydrophobicContact CB-CE2 3.82Å; R1323-F1392 HydrophobicContact CB-CZ 4.23Å; R1324-F1392 HydrophobicContact CB-CE1 4.05Å; R1324-F1392 HydrophobicContact CB-CZ 3.98Å; L1327-F1392 HydrophobicContact CD1-CB 4.41Å; L1327-F1392 HydrophobicContact CD1-CD2 3.72Å; L1327-F1392 HydrophobicContact CD1-CE2 4.31Å; L1327-F1392 HydrophobicContact CD1-CG 4.19Å; A1387-F1392 HydrophobicContact CB-CB 4.19Å; A1387-F1392 PolarHBondContact O-N 3.35Å; W1390-F1392 HydrophobicContact CB-CD2 3.71Å; W1390-F1392 HydrophobicContact CB-CE2 3.8Å; W1390-F1392 HydrophobicContact CE3-CE2 4.47Å; F1392-K1394 PolarHBondContact O-N 3.44Å | ||
| 1393 | P | 85.4 | Confident | 87.1 | Confident | 77 Ų | 77 | 32 Ų | 32 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | trans | -64.8 | 140.6 | 177.6 | 23.2 | -26.8 | 0 | 0 | 0 | 109.9 | D1395 T1396 | P1393-D1395 PolarHBondContact O-N 3.11Å; P1393-T1396 WeakPolarHBondContact CG-OG1 3.5Å; P1393-T1396 VanDerWaalsContact O-CB 3.24Å; P1393-T1396 WeakPolarHBondContact O-CB 3.36Å; P1393-T1396 PolarHBondContact O-N 2.89Å; P1393-T1396 PolarHBondContact O-OG1 3.37Å | ||
| 1394 | K | 84.7 | Confident | 86.9 | Confident | 145 Ų | 145 | 32.2 Ų | 32.2 | 63% | 0.63 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -50.3 | -37.1 | -179.6 | -69.2 | -178.4 | 179.4 | 178.2 | 0 | 112.1 | F1392 T1396 V1397 V1398 | F1392-K1394 PolarHBondContact O-N 3.44Å; K1394-T1396 PolarHBondContact O-N 2.82Å; K1394-V1397 PolarHBondContact O-N 3.45Å; K1394-V1398 WeakPolarHBondContact O-CG2 3.35Å; K1394-V1398 PolarHBondContact O-N 3.37Å; K1394-V1398 VanDerWaalsContact O-N 3.07Å |
| 1395 | D | 87.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -28.3 | 179.8 | -146 | 43.4 | 0 | 0 | 0 | 113.1 | P1393 V1397 V1398 I1399 V1421 Q1422 E1423 | P1393-D1395 PolarHBondContact O-N 3.11Å; D1395-V1397 VanDerWaalsContact C-N 3.31Å; D1395-V1397 PolarHBondContact O-N 2.82Å; D1395-V1398 PolarHBondContact O-N 3.15Å; D1395-I1399 VanDerWaalsContact O-CB 3.32Å; D1395-I1399 WeakPolarHBondContact O-CB 3.16Å; D1395-I1399 WeakPolarHBondContact O-CG1 3.31Å; D1395-I1399 PolarHBondContact O-N 3.35Å; D1395-I1399 WeakPolarHBondContact OD2-CD1 3.21Å; D1395-V1421 WeakPolarHBondContact OD1-CA 3.37Å; D1395-Q1422 HydrophobicContact CB-CB 4.46Å; D1395-Q1422 PolarHBondContact OD1-N 3.38Å; D1395-E1423 PolarHBondContact OD2-N 3.32Å |
| 1396 | T | 86.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 27.9 Ų | 27.9 | 14% | 0.135 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | Y1328 P1393 K1394 Q1400 | Y1328-T1396 HydrophobicContact CE1-CG2 3.75Å; P1393-T1396 WeakPolarHBondContact CG-OG1 3.5Å; P1393-T1396 VanDerWaalsContact O-CB 3.24Å; P1393-T1396 WeakPolarHBondContact O-CB 3.36Å; P1393-T1396 PolarHBondContact O-N 2.89Å; P1393-T1396 PolarHBondContact O-OG1 3.37Å; K1394-T1396 PolarHBondContact O-N 2.82Å; T1396-Q1400 WeakPolarHBondContact O-CB 3.15Å; T1396-Q1400 PolarHBondContact O-N 3.14Å |
| 1397 | V | 88.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.9 | -43.7 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 110 | L1327 I1331 A1383 F1384 A1387 K1394 D1395 I1399 Q1400 H1401 | L1327-V1397 HydrophobicContact CD1-CG2 4.46Å; I1331-V1397 HydrophobicContact CD1-CB 4.26Å; I1331-V1397 HydrophobicContact CD1-CG1 3.58Å; I1331-V1397 HydrophobicContact CG1-CG1 4.39Å; A1383-V1397 HydrophobicContact CB-CG1 4.23Å; F1384-V1397 HydrophobicContact CD1-CB 3.82Å; F1384-V1397 HydrophobicContact CD1-CG1 3.59Å; F1384-V1397 HydrophobicContact CD2-CG1 3.98Å; F1384-V1397 HydrophobicContact CE1-CB 3.6Å; F1384-V1397 HydrophobicContact CE1-CG1 3.39Å; F1384-V1397 HydrophobicContact CE2-CG1 3.8Å; F1384-V1397 HydrophobicContact CG-CG1 3.88Å; F1384-V1397 HydrophobicContact CZ-CB 4.16Å; F1384-V1397 HydrophobicContact CZ-CG1 3.5Å; F1384-V1397 VanDerWaalsContact CZ-CG1 3.5Å; A1387-V1397 HydrophobicContact CB-CG2 3.31Å; K1394-V1397 PolarHBondContact O-N 3.45Å; D1395-V1397 VanDerWaalsContact C-N 3.31Å; D1395-V1397 PolarHBondContact O-N 2.82Å; V1397-I1399 PolarHBondContact O-N 2.88Å; V1397-Q1400 PolarHBondContact O-N 3.36Å; V1397-H1401 VanDerWaalsContact O-CB 3.25Å; V1397-H1401 WeakPolarHBondContact O-CB 3.3Å; V1397-H1401 PolarHBondContact O-N 3.4Å |
| 1398 | V | 88.8 | Confident | 86 | Confident | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | F1384 K1394 D1395 Q1400 H1401 I1402 K1420 V1421 | F1384-V1398 HydrophobicContact CE1-CG2 3.58Å; F1384-V1398 HydrophobicContact CZ-CG2 3.93Å; K1394-V1398 WeakPolarHBondContact O-CG2 3.35Å; K1394-V1398 PolarHBondContact O-N 3.37Å; K1394-V1398 VanDerWaalsContact O-N 3.07Å; D1395-V1398 PolarHBondContact O-N 3.15Å; V1398-Q1400 VanDerWaalsContact C-N 3.34Å; V1398-Q1400 PolarHBondContact O-N 3.17Å; V1398-H1401 WeakPolarHBondContact O-CB 3.44Å; V1398-H1401 PolarHBondContact O-N 3.19Å; V1398-I1402 HydrophobicContact CG1-CD1 3.69Å; V1398-I1402 HydrophobicContact CG1-CG1 4.37Å; V1398-I1402 WeakPolarHBondContact O-CG1 3.36Å; V1398-I1402 PolarHBondContact O-N 3.15Å; V1398-K1420 HydrophobicContact CG1-CB 4.41Å; V1398-V1421 HydrophobicContact CG1-CG2 3.89Å |
| 1399 | I | 88.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 179.7 | -69.2 | 170.3 | 0 | 0 | 0 | 110.2 | D1395 V1397 H1401 I1402 V1403 V1421 N1426 L1427 | D1395-I1399 VanDerWaalsContact O-CB 3.32Å; D1395-I1399 WeakPolarHBondContact O-CB 3.16Å; D1395-I1399 WeakPolarHBondContact O-CG1 3.31Å; D1395-I1399 PolarHBondContact O-N 3.35Å; D1395-I1399 WeakPolarHBondContact OD2-CD1 3.21Å; V1397-I1399 PolarHBondContact O-N 2.88Å; I1399-H1401 VanDerWaalsContact C-N 3.32Å; I1399-H1401 PolarHBondContact O-N 2.86Å; I1399-I1402 PolarHBondContact O-N 2.87Å; I1399-V1403 HydrophobicContact CG2-CG2 4.31Å; I1399-V1403 WeakPolarHBondContact O-CB 3.42Å; I1399-V1403 WeakPolarHBondContact O-CG2 3.3Å; I1399-V1403 PolarHBondContact O-N 3.13Å; I1399-V1421 HydrophobicContact CG1-CG1 4.12Å; I1399-N1426 HydrophobicContact CD1-CB 4.05Å; I1399-L1427 HydrophobicContact CG1-CB 4.37Å; I1399-L1427 HydrophobicContact CG2-CB 4.49Å; I1399-L1427 HydrophobicContact CG2-CD1 4.18Å |
| 1400 | Q | 89.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 178.8 | -174.3 | 63.9 | 24.4 | 0 | 0 | 112.5 | Y1328 I1331 T1396 V1397 V1398 V1403 S1404 | Y1328-Q1400 HydrophobicContact CD1-CB 3.88Å; Y1328-Q1400 HydrophobicContact CD1-CG 3.55Å; Y1328-Q1400 HydrophobicContact CE1-CB 3.93Å; Y1328-Q1400 HydrophobicContact CE1-CG 4.08Å; Y1328-Q1400 HydrophobicContact CG-CG 3.93Å; I1331-Q1400 HydrophobicContact CB-CG 4.35Å; I1331-Q1400 HydrophobicContact CD1-CB 3.95Å; I1331-Q1400 HydrophobicContact CD1-CG 3.97Å; I1331-Q1400 HydrophobicContact CG2-CG 4.25Å; T1396-Q1400 WeakPolarHBondContact O-CB 3.15Å; T1396-Q1400 PolarHBondContact O-N 3.14Å; V1397-Q1400 PolarHBondContact O-N 3.36Å; V1398-Q1400 VanDerWaalsContact C-N 3.34Å; V1398-Q1400 PolarHBondContact O-N 3.17Å; Q1400-V1403 PolarHBondContact O-N 3.32Å; Q1400-S1404 WeakPolarHBondContact O-CB 3.29Å; Q1400-S1404 PolarHBondContact O-N 3.21Å; Q1400-S1404 PolarHBondContact O-OG 3.43Å |
| 1401 | H | 90.1 | Very high | 85 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.5 | -169.8 | 66 | 0 | 0 | 0 | 112 | I1331 Y1376 V1397 V1398 I1399 S1404 L1405 F1417 | I1331-H1401 HydrophobicContact CG2-CB 4.03Å; Y1376-H1401 AromaticContact CE2-CE1 3.74Å; Y1376-H1401 AromaticContact CZ-CE1 3.59Å; Y1376-H1401 AromaticContact CZ-NE2 3.99Å; Y1376-H1401 PolarHBondContact OH-CE1 3.23Å; Y1376-H1401 PolarHBondContact OH-NE2 3.19Å; V1397-H1401 VanDerWaalsContact O-CB 3.25Å; V1397-H1401 WeakPolarHBondContact O-CB 3.3Å; V1397-H1401 PolarHBondContact O-N 3.4Å; V1398-H1401 WeakPolarHBondContact O-CB 3.44Å; V1398-H1401 PolarHBondContact O-N 3.19Å; I1399-H1401 VanDerWaalsContact C-N 3.32Å; I1399-H1401 PolarHBondContact O-N 2.86Å; H1401-S1404 WeakPolarHBondContact CA-OG 3.45Å; H1401-S1404 PolarHBondContact O-N 3.44Å; H1401-S1404 PolarHBondContact O-OG 3.3Å; H1401-L1405 WeakPolarHBondContact O-CB 3.41Å; H1401-L1405 VanDerWaalsContact O-CG 3.29Å; H1401-L1405 WeakPolarHBondContact O-CG 3.38Å; H1401-L1405 PolarHBondContact O-N 3.23Å; H1401-F1417 AromaticContact NE2-CZ 3.96Å |
| 1402 | I | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.4 | -68 | 168.5 | 0 | 0 | 0 | 110.6 | V1398 I1399 S1404 L1405 F1406 F1417 L1418 V1421 L1427 | V1398-I1402 HydrophobicContact CG1-CD1 3.69Å; V1398-I1402 HydrophobicContact CG1-CG1 4.37Å; V1398-I1402 WeakPolarHBondContact O-CG1 3.36Å; V1398-I1402 PolarHBondContact O-N 3.15Å; I1399-I1402 PolarHBondContact O-N 2.87Å; I1402-S1404 PolarHBondContact O-N 2.97Å; I1402-L1405 PolarHBondContact O-N 2.82Å; I1402-F1406 HydrophobicContact CG2-CD2 3.6Å; I1402-F1406 HydrophobicContact CG2-CE2 3.37Å; I1402-F1406 WeakPolarHBondContact O-CD2 3.48Å; I1402-F1406 PolarHBondContact O-N 3.4Å; I1402-F1417 HydrophobicContact CD1-CB 3.92Å; I1402-F1417 HydrophobicContact CG1-CB 3.66Å; I1402-L1418 HydrophobicContact CG2-CD2 4.01Å; I1402-V1421 HydrophobicContact CD1-CG2 3.21Å; I1402-L1427 HydrophobicContact CB-CD1 4.25Å; I1402-L1427 HydrophobicContact CD1-CD2 4.11Å; I1402-L1427 HydrophobicContact CG2-CD1 3.82Å; I1402-L1427 HydrophobicContact CG2-CD2 4.13Å |
| 1403 | V | 86.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -48.8 | 178.7 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | I1399 Q1400 L1405 F1406 E1407 L1427 R1430 I1434 | I1399-V1403 HydrophobicContact CG2-CG2 4.31Å; I1399-V1403 WeakPolarHBondContact O-CB 3.42Å; I1399-V1403 WeakPolarHBondContact O-CG2 3.3Å; I1399-V1403 PolarHBondContact O-N 3.13Å; Q1400-V1403 PolarHBondContact O-N 3.32Å; V1403-L1405 PolarHBondContact O-N 3.05Å; V1403-F1406 PolarHBondContact O-N 3.47Å; V1403-E1407 WeakPolarHBondContact O-CG 3.29Å; V1403-E1407 PolarHBondContact O-N 3.37Å; V1403-L1427 HydrophobicContact CG2-CD1 3.95Å; V1403-R1430 HydrophobicContact CG2-CB 3.79Å; V1403-R1430 HydrophobicContact CG2-CG 4.49Å; V1403-I1434 HydrophobicContact CB-CD1 4.4Å; V1403-I1434 HydrophobicContact CG1-CD1 3.98Å; V1403-I1434 HydrophobicContact CG2-CD1 4.48Å |
| 1404 | S | 86.5 | Confident | 84.4 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 179 | 50 | 0 | 0 | 0 | 0 | 113 | I1331 V1335 Q1400 H1401 I1402 E1407 A1408 | I1331-S1404 VanDerWaalsContact CG2-OG 3.3Å; I1331-S1404 WeakPolarHBondContact CG2-OG 3.25Å; V1335-S1404 WeakPolarHBondContact CG1-O 3.48Å; Q1400-S1404 WeakPolarHBondContact O-CB 3.29Å; Q1400-S1404 PolarHBondContact O-N 3.21Å; Q1400-S1404 PolarHBondContact O-OG 3.43Å; H1401-S1404 WeakPolarHBondContact CA-OG 3.45Å; H1401-S1404 PolarHBondContact O-N 3.44Å; H1401-S1404 PolarHBondContact O-OG 3.3Å; I1402-S1404 PolarHBondContact O-N 2.97Å; S1404-E1407 PolarHBondContact O-N 3.29Å; S1404-A1408 WeakPolarHBondContact O-CB 3.43Å; S1404-A1408 PolarHBondContact O-N 3.43Å |
| 1405 | L | 86.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.4 | -74 | 169.2 | 0 | 0 | 0 | 111.7 | V1335 H1401 I1402 V1403 A1408 N1409 L1410 Q1413 A1414 F1417 | V1335-L1405 HydrophobicContact CG1-CD2 3.96Å; V1335-L1405 HydrophobicContact CG1-CG 4.44Å; V1335-L1405 HydrophobicContact CG2-CD2 4.03Å; V1335-L1405 HydrophobicContact CG2-CG 4.17Å; H1401-L1405 WeakPolarHBondContact O-CB 3.41Å; H1401-L1405 VanDerWaalsContact O-CG 3.29Å; H1401-L1405 WeakPolarHBondContact O-CG 3.38Å; H1401-L1405 PolarHBondContact O-N 3.23Å; I1402-L1405 PolarHBondContact O-N 2.82Å; V1403-L1405 PolarHBondContact O-N 3.05Å; L1405-A1408 CarbonylContact O-C 3.52Å; L1405-A1408 PolarHBondContact O-N 3.3Å; L1405-N1409 PolarHBondContact O-N 3.48Å; L1405-L1410 HydrophobicContact CB-CB 4.47Å; L1405-L1410 HydrophobicContact CD2-CB 4.08Å; L1405-L1410 HydrophobicContact CD2-CD1 3.84Å; L1405-L1410 PolarHBondContact O-N 2.91Å; L1405-Q1413 HydrophobicContact CD2-CB 4.38Å; L1405-A1414 HydrophobicContact CB-CB 3.71Å; L1405-A1414 HydrophobicContact CD1-CB 4.33Å; L1405-F1417 HydrophobicContact CD1-CD2 4.17Å; L1405-F1417 HydrophobicContact CD1-CE2 4.38Å |
| 1406 | F | 83.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 172.9 | -75 | -60 | 0 | 0 | 0 | 112 | I1402 V1403 A1408 N1409 D1411 A1414 L1418 L1431 I1434 R1438 L1505 | I1402-F1406 HydrophobicContact CG2-CD2 3.6Å; I1402-F1406 HydrophobicContact CG2-CE2 3.37Å; I1402-F1406 WeakPolarHBondContact O-CD2 3.48Å; I1402-F1406 PolarHBondContact O-N 3.4Å; V1403-F1406 PolarHBondContact O-N 3.47Å; F1406-A1408 PolarHBondContact O-N 2.87Å; F1406-N1409 PolarHBondContact O-N 2.9Å; F1406-D1411 HydrophobicContact CD1-CB 4.46Å; F1406-D1411 WeakPolarHBondContact CD1-OD1 3.18Å; F1406-D1411 HydrophobicContact CE1-CB 4.21Å; F1406-A1414 HydrophobicContact CD1-CB 3.85Å; F1406-A1414 HydrophobicContact CD2-CB 3.76Å; F1406-A1414 HydrophobicContact CE1-CB 3.56Å; F1406-A1414 HydrophobicContact CE2-CB 3.52Å; F1406-A1414 HydrophobicContact CG-CB 3.92Å; F1406-A1414 HydrophobicContact CZ-CB 3.38Å; F1406-L1418 HydrophobicContact CE2-CD2 4.27Å; F1406-L1431 HydrophobicContact CD2-CD2 3.26Å; F1406-L1431 HydrophobicContact CE2-CD1 4.42Å; F1406-L1431 HydrophobicContact CE2-CD2 3.58Å; F1406-L1431 HydrophobicContact CG-CD2 4.05Å; F1406-I1434 HydrophobicContact CB-CD1 3.97Å; F1406-I1434 HydrophobicContact CB-CG2 4.16Å; F1406-R1438 PolarHBondContact O-NH2 3.36Å; F1406-L1505 HydrophobicContact CD1-CD1 3.93Å; F1406-L1505 HydrophobicContact CD1-CD2 4.12Å; F1406-L1505 HydrophobicContact CE1-CD1 3.75Å; F1406-L1505 HydrophobicContact CE1-CD2 3.35Å; F1406-L1505 HydrophobicContact CE1-CG 4.09Å; F1406-L1505 HydrophobicContact CE2-CD2 3.91Å; F1406-L1505 HydrophobicContact CZ-CD1 4.48Å; F1406-L1505 HydrophobicContact CZ-CD2 3.23Å; F1406-L1505 HydrophobicContact CZ-CG 4.4Å |
| 1407 | E | 82.4 | Confident | 84 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.8 | -31.8 | 174.8 | -73.9 | -179 | 146.8 | 0 | 0 | 112.1 | V1403 S1404 N1409 I1434 R1437 | V1403-E1407 WeakPolarHBondContact O-CG 3.29Å; V1403-E1407 PolarHBondContact O-N 3.37Å; S1404-E1407 PolarHBondContact O-N 3.29Å; E1407-N1409 VanDerWaalsContact C-N 3.29Å; E1407-N1409 PolarHBondContact O-N 2.82Å; E1407-I1434 HydrophobicContact CG-CD1 4.06Å; E1407-I1434 HydrophobicContact CG-CG1 4Å; E1407-R1437 IonicContact OE1-NH1 3.06Å; E1407-R1437 PolarHBondContact OE1-NH1 3.49Å |
| 1408 | A | 78.8 | Confident | 83.8 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 21% | 0.207 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | V1335 S1404 L1405 F1406 L1410 | V1335-A1408 HydrophobicContact CG1-CB 3.55Å; S1404-A1408 WeakPolarHBondContact O-CB 3.43Å; S1404-A1408 PolarHBondContact O-N 3.43Å; L1405-A1408 CarbonylContact O-C 3.52Å; L1405-A1408 PolarHBondContact O-N 3.3Å; F1406-A1408 PolarHBondContact O-N 2.87Å; A1408-L1410 VanDerWaalsContact C-N 3.28Å; A1408-L1410 HydrophobicContact CB-CD1 4.25Å; A1408-L1410 HydrophobicContact CB-CG 4.37Å; A1408-L1410 PolarHBondContact O-N 3.46Å |
| 1409 | N | 77.1 | Confident | 83.5 | Confident | 80 Ų | 80 | 38 Ų | 38 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 31.4 | -177.2 | -58.9 | -40.4 | 0 | 0 | 0 | 114.9 | L1405 F1406 E1407 D1411 R1438 | L1405-N1409 PolarHBondContact O-N 3.48Å; F1406-N1409 PolarHBondContact O-N 2.9Å; E1407-N1409 VanDerWaalsContact C-N 3.29Å; E1407-N1409 PolarHBondContact O-N 2.82Å; N1409-D1411 PolarHBondContact O-N 3.27Å; N1409-R1438 PolarHBondContact OD1-NE 2.98Å; N1409-R1438 PolarHBondContact OD1-NH2 2.88Å; N1409-R1438 VanDerWaalsContact OD1-NH2 3.11Å |
| 1410 | L | 78.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | trans | -99.5 | 57.7 | 176.1 | -66 | 172.2 | 0 | 0 | 0 | 111.1 | V1335 L1338 L1405 A1408 D1412 Q1413 A1414 | V1335-L1410 HydrophobicContact CG1-CD1 4.32Å; L1338-L1410 HydrophobicContact CD2-CD1 4.06Å; L1338-L1410 HydrophobicContact CG-CD1 4.39Å; L1405-L1410 HydrophobicContact CB-CB 4.47Å; L1405-L1410 HydrophobicContact CD2-CB 4.08Å; L1405-L1410 HydrophobicContact CD2-CD1 3.84Å; L1405-L1410 PolarHBondContact O-N 2.91Å; A1408-L1410 VanDerWaalsContact C-N 3.28Å; A1408-L1410 HydrophobicContact CB-CD1 4.25Å; A1408-L1410 HydrophobicContact CB-CG 4.37Å; A1408-L1410 PolarHBondContact O-N 3.46Å; L1410-D1412 PolarHBondContact O-N 2.77Å; L1410-Q1413 HydrophobicContact CB-CB 4.42Å; L1410-Q1413 PolarHBondContact O-N 2.83Å; L1410-A1414 PolarHBondContact O-N 3.43Å | ||
| 1411 | D | 78.2 | Confident | 83.1 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | -169.5 | -67.4 | -0.5 | 0 | 0 | 0 | 113.1 | F1406 N1409 Q1413 A1414 Q1415 R1438 T1501 | F1406-D1411 HydrophobicContact CD1-CB 4.46Å; F1406-D1411 WeakPolarHBondContact CD1-OD1 3.18Å; F1406-D1411 HydrophobicContact CE1-CB 4.21Å; N1409-D1411 PolarHBondContact O-N 3.27Å; D1411-Q1413 VanDerWaalsContact C-N 3.3Å; D1411-Q1413 PolarHBondContact O-N 3.19Å; D1411-A1414 PolarHBondContact O-N 3.48Å; D1411-Q1415 VanDerWaalsContact O-CG 3.3Å; D1411-Q1415 WeakPolarHBondContact O-CG 3.37Å; D1411-Q1415 PolarHBondContact O-N 3.3Å; D1411-R1438 VanDerWaalsContact CG-NH1 3.26Å; D1411-R1438 IonicContact OD1-CZ 3.77Å; D1411-R1438 VanDerWaalsContact OD1-CZ 3.27Å; D1411-R1438 IonicContact OD1-NH1 3.45Å; D1411-R1438 PolarHBondContact OD1-NH1 3Å; D1411-R1438 IonicContact OD1-NH2 3.82Å; D1411-R1438 PolarHBondContact OD1-NH2 2.88Å; D1411-R1438 IonicContact OD2-CZ 2.82Å; D1411-R1438 IonicContact OD2-NH1 3.83Å; D1411-R1438 PolarHBondContact OD2-NH1 3.48Å; D1411-R1438 IonicContact OD2-NH2 3.8Å; D1411-T1501 HydrophobicContact CB-CG2 4.2Å; D1411-T1501 WeakPolarHBondContact OD2-CB 3.41Å; D1411-T1501 PolarHBondContact OD2-OG1 3.34Å |
| 1412 | D | 78.6 | Confident | 82.9 | Confident | 118 Ų | 118 | 51 Ų | 51 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | -178.4 | -58.1 | -27.3 | 0 | 0 | 0 | 111.6 | L1410 | L1410-D1412 PolarHBondContact O-N 2.77Å |
| 1413 | Q | 80.5 | Confident | 82.8 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 176.7 | -67.2 | -67.6 | -29.6 | 0 | 0 | 110.7 | L1405 L1410 D1411 Q1415 L1416 F1417 | L1405-Q1413 HydrophobicContact CD2-CB 4.38Å; L1410-Q1413 HydrophobicContact CB-CB 4.42Å; L1410-Q1413 PolarHBondContact O-N 2.83Å; D1411-Q1413 VanDerWaalsContact C-N 3.3Å; D1411-Q1413 PolarHBondContact O-N 3.19Å; Q1413-Q1415 VanDerWaalsContact C-N 3.31Å; Q1413-Q1415 PolarHBondContact O-N 3.48Å; Q1413-L1416 WeakPolarHBondContact O-CB 3.17Å; Q1413-L1416 PolarHBondContact O-N 3.32Å; Q1413-F1417 VanDerWaalsContact O-CD2 3.26Å; Q1413-F1417 WeakPolarHBondContact O-CD2 3.39Å |
| 1414 | A | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1405 F1406 L1410 D1411 L1416 F1417 L1418 | L1405-A1414 HydrophobicContact CB-CB 3.71Å; L1405-A1414 HydrophobicContact CD1-CB 4.33Å; F1406-A1414 HydrophobicContact CD1-CB 3.85Å; F1406-A1414 HydrophobicContact CD2-CB 3.76Å; F1406-A1414 HydrophobicContact CE1-CB 3.56Å; F1406-A1414 HydrophobicContact CE2-CB 3.52Å; F1406-A1414 HydrophobicContact CG-CB 3.92Å; F1406-A1414 HydrophobicContact CZ-CB 3.38Å; L1410-A1414 PolarHBondContact O-N 3.43Å; D1411-A1414 PolarHBondContact O-N 3.48Å; A1414-L1416 VanDerWaalsContact C-N 3.27Å; A1414-L1416 PolarHBondContact O-N 2.9Å; A1414-F1417 PolarHBondContact O-N 3.28Å; A1414-L1418 PolarHBondContact O-N 3.25Å |
| 1415 | Q | 83.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | 178.2 | -75.9 | 178.5 | 12.8 | 0 | 0 | 112.8 | D1411 Q1413 F1417 L1418 F1504 | D1411-Q1415 VanDerWaalsContact O-CG 3.3Å; D1411-Q1415 WeakPolarHBondContact O-CG 3.37Å; D1411-Q1415 PolarHBondContact O-N 3.3Å; Q1413-Q1415 VanDerWaalsContact C-N 3.31Å; Q1413-Q1415 PolarHBondContact O-N 3.48Å; Q1415-F1417 PolarHBondContact O-N 2.81Å; Q1415-L1418 HydrophobicContact CB-CD1 4.45Å; Q1415-L1418 HydrophobicContact CG-CD1 4.25Å; Q1415-L1418 PolarHBondContact O-N 2.95Å; Q1415-F1504 HydrophobicContact CG-CD1 4.29Å; Q1415-F1504 HydrophobicContact CG-CE1 3.84Å |
| 1416 | L | 83.3 | Confident | 82.4 | Confident | 117 Ų | 117 | 63.1 Ų | 63.1 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.3 | -22.9 | 177.2 | -63.8 | 173.4 | 0 | 0 | 0 | 113.3 | Q1413 A1414 | Q1413-L1416 WeakPolarHBondContact O-CB 3.17Å; Q1413-L1416 PolarHBondContact O-N 3.32Å; A1414-L1416 VanDerWaalsContact C-N 3.27Å; A1414-L1416 PolarHBondContact O-N 2.9Å |
| 1417 | F | 83.3 | Confident | 82.5 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -96.5 | -12.6 | -179.7 | -69.3 | -88.2 | 0 | 0 | 0 | 113.7 | H1401 I1402 L1405 Q1413 A1414 Q1415 S1419 K1420 | H1401-F1417 AromaticContact NE2-CZ 3.96Å; I1402-F1417 HydrophobicContact CD1-CB 3.92Å; I1402-F1417 HydrophobicContact CG1-CB 3.66Å; L1405-F1417 HydrophobicContact CD1-CD2 4.17Å; L1405-F1417 HydrophobicContact CD1-CE2 4.38Å; Q1413-F1417 VanDerWaalsContact O-CD2 3.26Å; Q1413-F1417 WeakPolarHBondContact O-CD2 3.39Å; A1414-F1417 PolarHBondContact O-N 3.28Å; Q1415-F1417 PolarHBondContact O-N 2.81Å; F1417-S1419 PolarHBondContact O-N 3.45Å; F1417-K1420 HydrophobicContact CD1-CD 4.03Å; F1417-K1420 WeakPolarHBondContact O-CB 3.32Å; F1417-K1420 PolarHBondContact O-N 2.96Å |
| 1418 | L | 83.7 | Confident | 82.7 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -56.7 | -34.2 | -179 | -70.8 | 175.5 | 0 | 0 | 0 | 113 | I1402 F1406 A1414 Q1415 K1420 V1421 L1427 L1431 F1504 Y1508 | I1402-L1418 HydrophobicContact CG2-CD2 4.01Å; F1406-L1418 HydrophobicContact CE2-CD2 4.27Å; A1414-L1418 PolarHBondContact O-N 3.25Å; Q1415-L1418 HydrophobicContact CB-CD1 4.45Å; Q1415-L1418 HydrophobicContact CG-CD1 4.25Å; Q1415-L1418 PolarHBondContact O-N 2.95Å; L1418-K1420 PolarHBondContact O-N 3.43Å; L1418-V1421 PolarHBondContact O-N 3.23Å; L1418-L1427 HydrophobicContact CD2-CD2 3.7Å; L1418-L1431 HydrophobicContact CD2-CD1 4.48Å; L1418-F1504 HydrophobicContact CD1-CE1 3.72Å; L1418-F1504 HydrophobicContact CD1-CZ 4.12Å; L1418-Y1508 HydrophobicContact CB-CE2 4.45Å; L1418-Y1508 HydrophobicContact CD1-CD2 4.44Å; L1418-Y1508 HydrophobicContact CD1-CE2 4.45Å; L1418-Y1508 HydrophobicContact CD2-CE1 4.02Å; L1418-Y1508 HydrophobicContact CD2-CE2 4.44Å |
| 1419 | S | 82.9 | Confident | 83.1 | Confident | 109 Ų | 109 | 60 Ų | 60 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -70.7 | -15.8 | 178.3 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | F1417 | F1417-S1419 PolarHBondContact O-N 3.45Š|
| 1420 | K | 84.6 | Confident | 83.5 | Confident | 131 Ų | 131 | 60.2 Ų | 60.2 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -90.1 | -5.8 | -178.8 | -64.2 | -177.6 | -179.4 | 172 | 0 | 113.5 | V1398 F1417 L1418 | V1398-K1420 HydrophobicContact CG1-CB 4.41Å; F1417-K1420 HydrophobicContact CD1-CD 4.03Å; F1417-K1420 WeakPolarHBondContact O-CB 3.32Å; F1417-K1420 PolarHBondContact O-N 2.96Å; L1418-K1420 PolarHBondContact O-N 3.43Å |
| 1421 | V | 85.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | trans | -78.9 | 127 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | D1395 V1398 I1399 I1402 L1418 L1427 | D1395-V1421 WeakPolarHBondContact OD1-CA 3.37Å; V1398-V1421 HydrophobicContact CG1-CG2 3.89Å; I1399-V1421 HydrophobicContact CG1-CG1 4.12Å; I1402-V1421 HydrophobicContact CD1-CG2 3.21Å; L1418-V1421 PolarHBondContact O-N 3.23Å; V1421-L1427 HydrophobicContact CB-CD2 4.47Å; V1421-L1427 HydrophobicContact CG1-CB 4.35Å; V1421-L1427 HydrophobicContact CG1-CD2 4.25Å; V1421-L1427 HydrophobicContact CG2-CD2 3.74Å | ||
| 1422 | Q | 86 | Confident | 84.4 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 72% | 0.724 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -83.1 | -41.7 | 178.5 | -65.3 | -174 | -23.9 | 0 | 0 | 111.7 | D1395 P1424 | D1395-Q1422 HydrophobicContact CB-CB 4.46Å; D1395-Q1422 PolarHBondContact OD1-N 3.38Å; Q1422-P1424 WeakPolarHBondContact O-CD 3.39Å |
| 1423 | E | 84.7 | Confident | 84.7 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | trans | -112.5 | 81.5 | 179.1 | -66.4 | -174.9 | 173.7 | 0 | 0 | 111.6 | D1395 S1425 N1426 | D1395-E1423 PolarHBondContact OD2-N 3.32Å; E1423-S1425 PolarHBondContact O-N 2.84Å; E1423-S1425 VanDerWaalsContact O-N 3.13Å; E1423-N1426 PolarHBondContact O-N 3.46Å; E1423-N1426 PolarHBondContact OE2-ND2 2.91Å | ||
| 1424 | P | 84.6 | Confident | 84.9 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -17.5 | -174.7 | 28.2 | -36.6 | 0 | 0 | 0 | 113.4 | Q1422 L1427 A1428 H1512 | Q1422-P1424 WeakPolarHBondContact O-CD 3.39Å; P1424-L1427 PolarHBondContact O-N 3.3Å; P1424-A1428 WeakPolarHBondContact O-CB 3.23Å; P1424-A1428 PolarHBondContact O-N 3.12Å; P1424-H1512 HydrophobicContact CB-CB 3.98Å; P1424-H1512 HydrophobicContact CG-CB 4.43Å |
| 1425 | S | 84.2 | Confident | 85 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | E1423 L1427 A1428 V1429 H1512 | E1423-S1425 PolarHBondContact O-N 2.84Å; E1423-S1425 VanDerWaalsContact O-N 3.13Å; S1425-L1427 VanDerWaalsContact C-N 3.32Å; S1425-A1428 PolarHBondContact O-N 3.19Å; S1425-V1429 PolarHBondContact O-N 3.3Å; S1425-H1512 WeakPolarHBondContact CA-O 3.39Å |
| 1426 | N | 82.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 177.2 | -75.8 | -28.2 | 0 | 0 | 0 | 111.4 | I1399 E1423 | I1399-N1426 HydrophobicContact CD1-CB 4.05Å; E1423-N1426 PolarHBondContact O-N 3.46Å; E1423-N1426 PolarHBondContact OE2-ND2 2.91Å |
| 1427 | L | 86.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -46.2 | 174.1 | 178.3 | 61.9 | 0 | 0 | 0 | 111.3 | I1399 I1402 V1403 L1418 V1421 P1424 S1425 V1429 R1430 L1431 Y1508 | I1399-L1427 HydrophobicContact CG1-CB 4.37Å; I1399-L1427 HydrophobicContact CG2-CB 4.49Å; I1399-L1427 HydrophobicContact CG2-CD1 4.18Å; I1402-L1427 HydrophobicContact CB-CD1 4.25Å; I1402-L1427 HydrophobicContact CD1-CD2 4.11Å; I1402-L1427 HydrophobicContact CG2-CD1 3.82Å; I1402-L1427 HydrophobicContact CG2-CD2 4.13Å; V1403-L1427 HydrophobicContact CG2-CD1 3.95Å; L1418-L1427 HydrophobicContact CD2-CD2 3.7Å; V1421-L1427 HydrophobicContact CB-CD2 4.47Å; V1421-L1427 HydrophobicContact CG1-CB 4.35Å; V1421-L1427 HydrophobicContact CG1-CD2 4.25Å; V1421-L1427 HydrophobicContact CG2-CD2 3.74Å; P1424-L1427 PolarHBondContact O-N 3.3Å; S1425-L1427 VanDerWaalsContact C-N 3.32Å; L1427-V1429 VanDerWaalsContact C-N 3.28Å; L1427-V1429 PolarHBondContact O-N 3.33Å; L1427-R1430 PolarHBondContact O-N 3.33Å; L1427-L1431 HydrophobicContact CD1-CD1 4.03Å; L1427-L1431 HydrophobicContact CD1-CD2 4.13Å; L1427-L1431 HydrophobicContact CD1-CG 3.79Å; L1427-L1431 HydrophobicContact CD2-CD1 4.11Å; L1427-L1431 HydrophobicContact CG-CD1 3.69Å; L1427-L1431 HydrophobicContact CG-CG 3.9Å; L1427-L1431 WeakPolarHBondContact O-CG 3.22Å; L1427-L1431 PolarHBondContact O-N 3.25Å; L1427-Y1508 HydrophobicContact CD2-CE1 4.04Å; L1427-Y1508 HydrophobicContact CG-CE1 4.5Å |
| 1428 | A | 86.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -42.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1424 S1425 R1430 L1431 L1432 V1509 H1512 L1513 | P1424-A1428 WeakPolarHBondContact O-CB 3.23Å; P1424-A1428 PolarHBondContact O-N 3.12Å; S1425-A1428 PolarHBondContact O-N 3.19Å; A1428-R1430 PolarHBondContact O-N 3.44Å; A1428-L1431 PolarHBondContact O-N 3.17Å; A1428-L1432 WeakPolarHBondContact O-CB 3.31Å; A1428-L1432 PolarHBondContact O-N 2.95Å; A1428-V1509 HydrophobicContact CB-CG1 4.47Å; A1428-H1512 HydrophobicContact CB-CB 4.03Å; A1428-L1513 HydrophobicContact CB-CD1 4.16Å |
| 1429 | V | 86.6 | Confident | 85.1 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | S1425 L1427 L1432 F1433 L1513 | S1425-V1429 PolarHBondContact O-N 3.3Å; L1427-V1429 VanDerWaalsContact C-N 3.28Å; L1427-V1429 PolarHBondContact O-N 3.33Å; V1429-L1432 WeakPolarHBondContact O-CB 3.44Å; V1429-L1432 PolarHBondContact O-N 3.06Å; V1429-F1433 HydrophobicContact CG1-CE2 4.21Å; V1429-F1433 WeakPolarHBondContact O-CD2 3.46Å; V1429-L1513 HydrophobicContact CG2-CD1 3.86Å |
| 1430 | R | 86.7 | Confident | 85 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.6 | -39.5 | 179.4 | -67.9 | -171.3 | 178.2 | -168.8 | 2.2 | 112.4 | Y1328 V1403 L1427 A1428 L1432 F1433 I1434 | Y1328-R1430 PolarHBondContact OH-NH2 2.87Å; V1403-R1430 HydrophobicContact CG2-CB 3.79Å; V1403-R1430 HydrophobicContact CG2-CG 4.49Å; L1427-R1430 PolarHBondContact O-N 3.33Å; A1428-R1430 PolarHBondContact O-N 3.44Å; R1430-L1432 VanDerWaalsContact C-N 3.3Å; R1430-L1432 PolarHBondContact O-N 3.2Å; R1430-F1433 PolarHBondContact O-N 2.91Å; R1430-I1434 PolarHBondContact O-N 3.46Å |
| 1431 | L | 87.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 175.8 | -69.8 | -178.2 | 0 | 0 | 0 | 111.8 | F1406 L1418 L1427 A1428 F1433 I1434 V1435 Y1508 V1509 | F1406-L1431 HydrophobicContact CD2-CD2 3.26Å; F1406-L1431 HydrophobicContact CE2-CD1 4.42Å; F1406-L1431 HydrophobicContact CE2-CD2 3.58Å; F1406-L1431 HydrophobicContact CG-CD2 4.05Å; L1418-L1431 HydrophobicContact CD2-CD1 4.48Å; L1427-L1431 HydrophobicContact CD1-CD1 4.03Å; L1427-L1431 HydrophobicContact CD1-CD2 4.13Å; L1427-L1431 HydrophobicContact CD1-CG 3.79Å; L1427-L1431 HydrophobicContact CD2-CD1 4.11Å; L1427-L1431 HydrophobicContact CG-CD1 3.69Å; L1427-L1431 HydrophobicContact CG-CG 3.9Å; L1427-L1431 WeakPolarHBondContact O-CG 3.22Å; L1427-L1431 PolarHBondContact O-N 3.25Å; A1428-L1431 PolarHBondContact O-N 3.17Å; L1431-F1433 VanDerWaalsContact C-N 3.28Å; L1431-F1433 PolarHBondContact O-N 3.19Å; L1431-I1434 HydrophobicContact CD2-CD1 4.06Å; L1431-I1434 PolarHBondContact O-N 3.44Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.44Å; L1431-V1435 PolarHBondContact O-N 3.43Å; L1431-Y1508 HydrophobicContact CD1-CD1 3.78Å; L1431-Y1508 HydrophobicContact CD1-CE1 3.9Å; L1431-V1509 HydrophobicContact CB-CG2 3.57Å |
| 1432 | L | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.6 | -43.9 | 174.5 | -177.6 | 63.9 | 0 | 0 | 0 | 111.8 | A1428 V1429 R1430 G1436 W1468 I1506 V1509 Q1519 A1523 L1526 | A1428-L1432 WeakPolarHBondContact O-CB 3.31Å; A1428-L1432 PolarHBondContact O-N 2.95Å; V1429-L1432 WeakPolarHBondContact O-CB 3.44Å; V1429-L1432 PolarHBondContact O-N 3.06Å; R1430-L1432 VanDerWaalsContact C-N 3.3Å; R1430-L1432 PolarHBondContact O-N 3.2Å; L1432-G1436 PolarHBondContact O-N 3.29Å; L1432-W1468 HydrophobicContact CG-CH2 4.28Å; L1432-W1468 HydrophobicContact CG-CZ2 4.5Å; L1432-I1506 HydrophobicContact CD1-CD1 4.18Å; L1432-V1509 HydrophobicContact CB-CG1 3.98Å; L1432-V1509 HydrophobicContact CD1-CG1 4.1Å; L1432-Q1519 HydrophobicContact CD2-CB 3.65Å; L1432-Q1519 HydrophobicContact CD2-CG 4.26Å; L1432-A1523 HydrophobicContact CD1-CB 3.77Å; L1432-L1526 HydrophobicContact CD1-CD1 3.57Å |
| 1433 | F | 86.3 | Confident | 83.8 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 176.2 | -74.3 | -77.4 | 0 | 0 | 0 | 112.4 | V1429 R1430 L1431 G1436 R1437 W1468 L1472 | V1429-F1433 HydrophobicContact CG1-CE2 4.21Å; V1429-F1433 WeakPolarHBondContact O-CD2 3.46Å; R1430-F1433 PolarHBondContact O-N 2.91Å; L1431-F1433 VanDerWaalsContact C-N 3.28Å; L1431-F1433 PolarHBondContact O-N 3.19Å; F1433-G1436 PolarHBondContact O-N 3.24Å; F1433-R1437 WeakPolarHBondContact O-CB 3.49Å; F1433-R1437 VanDerWaalsContact O-CG 3.3Å; F1433-R1437 WeakPolarHBondContact O-CG 3.46Å; F1433-R1437 PolarHBondContact O-N 2.99Å; F1433-W1468 AromaticContact CD1-CZ2 3.93Å; F1433-W1468 HydrophobicContact CD1-CZ2 3.93Å; F1433-W1468 HydrophobicContact CE1-CZ2 4.04Å; F1433-W1468 AromaticContact CE1-NE1 3.93Å; F1433-L1472 HydrophobicContact CD1-CD2 3.68Å; F1433-L1472 HydrophobicContact CE1-CD2 4.24Å |
| 1434 | I | 84.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -47.1 | 176.7 | -65.5 | 161.4 | 0 | 0 | 0 | 110.8 | V1403 F1406 E1407 R1430 L1431 G1436 R1437 R1438 | V1403-I1434 HydrophobicContact CB-CD1 4.4Å; V1403-I1434 HydrophobicContact CG1-CD1 3.98Å; V1403-I1434 HydrophobicContact CG2-CD1 4.48Å; F1406-I1434 HydrophobicContact CB-CD1 3.97Å; F1406-I1434 HydrophobicContact CB-CG2 4.16Å; E1407-I1434 HydrophobicContact CG-CD1 4.06Å; E1407-I1434 HydrophobicContact CG-CG1 4Å; R1430-I1434 PolarHBondContact O-N 3.46Å; L1431-I1434 HydrophobicContact CD2-CD1 4.06Å; L1431-I1434 PolarHBondContact O-N 3.44Å; I1434-G1436 VanDerWaalsContact C-N 3.32Å; I1434-G1436 PolarHBondContact O-N 2.91Å; I1434-R1437 PolarHBondContact O-N 2.87Å; I1434-R1438 WeakPolarHBondContact O-CG 3.49Å; I1434-R1438 PolarHBondContact O-N 2.98Å |
| 1435 | V | 84.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | L1431 R1437 R1438 V1439 L1502 L1505 I1506 I1530 | L1431-V1435 WeakPolarHBondContact O-CG2 3.44Å; L1431-V1435 PolarHBondContact O-N 3.43Å; V1435-R1437 PolarHBondContact O-N 3.14Å; V1435-R1438 PolarHBondContact O-N 3.31Å; V1435-V1439 HydrophobicContact CG1-CG2 4.49Å; V1435-V1439 WeakPolarHBondContact O-CG2 3.46Å; V1435-V1439 PolarHBondContact O-N 3.48Å; V1435-L1502 HydrophobicContact CG1-CD2 4.45Å; V1435-L1505 HydrophobicContact CG2-CB 3.85Å; V1435-I1506 HydrophobicContact CG1-CB 4.46Å; V1435-I1506 HydrophobicContact CG1-CD1 4.18Å; V1435-I1530 HydrophobicContact CG1-CD1 3.61Å |
| 1436 | G | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1432 F1433 I1434 V1439 A1440 L1469 | L1432-G1436 PolarHBondContact O-N 3.29Å; F1433-G1436 PolarHBondContact O-N 3.24Å; I1434-G1436 VanDerWaalsContact C-N 3.32Å; I1434-G1436 PolarHBondContact O-N 2.91Å; G1436-V1439 PolarHBondContact O-N 3.25Å; G1436-A1440 WeakPolarHBondContact O-CB 3.37Å; G1436-A1440 PolarHBondContact O-N 3.25Å; G1436-L1469 WeakPolarHBondContact O-CD2 3.31Å |
| 1437 | R | 84.4 | Confident | 80.6 | Confident | 108 Ų | 108 | 30.4 Ų | 30.4 | 41% | 0.408 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.6 | -78.5 | 176.7 | -160.6 | 162.4 | 7.8 | 112 | E1407 F1433 I1434 V1435 A1440 D1441 L1472 | E1407-R1437 IonicContact OE1-NH1 3.06Å; E1407-R1437 PolarHBondContact OE1-NH1 3.49Å; F1433-R1437 WeakPolarHBondContact O-CB 3.49Å; F1433-R1437 VanDerWaalsContact O-CG 3.3Å; F1433-R1437 WeakPolarHBondContact O-CG 3.46Å; F1433-R1437 PolarHBondContact O-N 2.99Å; I1434-R1437 PolarHBondContact O-N 2.87Å; V1435-R1437 PolarHBondContact O-N 3.14Å; R1437-A1440 WeakPolarHBondContact O-CB 3.38Å; R1437-A1440 PolarHBondContact O-N 3.43Å; R1437-D1441 WeakPolarHBondContact O-CB 3.48Å; R1437-D1441 PolarHBondContact O-N 3.17Å; R1437-L1472 HydrophobicContact CG-CB 3.8Å; R1437-L1472 HydrophobicContact CG-CD1 4.42Å; R1437-L1472 HydrophobicContact CG-CG 4.49Å |
| 1438 | R | 83.8 | Confident | 79 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 179.5 | -72.4 | 179.5 | 174.6 | -170.7 | 1.1 | 112.3 | F1406 N1409 D1411 I1434 V1435 R1442 L1502 | F1406-R1438 PolarHBondContact O-NH2 3.36Å; N1409-R1438 PolarHBondContact OD1-NE 2.98Å; N1409-R1438 PolarHBondContact OD1-NH2 2.88Å; N1409-R1438 VanDerWaalsContact OD1-NH2 3.11Å; D1411-R1438 VanDerWaalsContact CG-NH1 3.26Å; D1411-R1438 IonicContact OD1-CZ 3.77Å; D1411-R1438 VanDerWaalsContact OD1-CZ 3.27Å; D1411-R1438 IonicContact OD1-NH1 3.45Å; D1411-R1438 PolarHBondContact OD1-NH1 3Å; D1411-R1438 IonicContact OD1-NH2 3.82Å; D1411-R1438 PolarHBondContact OD1-NH2 2.88Å; D1411-R1438 IonicContact OD2-CZ 2.82Å; D1411-R1438 IonicContact OD2-NH1 3.83Å; D1411-R1438 PolarHBondContact OD2-NH1 3.48Å; D1411-R1438 IonicContact OD2-NH2 3.8Å; I1434-R1438 WeakPolarHBondContact O-CG 3.49Å; I1434-R1438 PolarHBondContact O-N 2.98Å; V1435-R1438 PolarHBondContact O-N 3.31Å; R1438-R1442 PolarHBondContact O-N 3.11Å; R1438-R1442 VanDerWaalsContact O-N 3.09Å; R1438-L1502 HydrophobicContact CB-CD2 4.01Å |
| 1439 | V | 81 | Confident | 77.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 172.6 | 174 | 0 | 0 | 0 | 0 | 110.2 | V1435 G1436 D1441 R1442 C1443 L1469 L1526 I1529 I1530 I1533 | V1435-V1439 HydrophobicContact CG1-CG2 4.49Å; V1435-V1439 WeakPolarHBondContact O-CG2 3.46Å; V1435-V1439 PolarHBondContact O-N 3.48Å; G1436-V1439 PolarHBondContact O-N 3.25Å; V1439-D1441 PolarHBondContact O-N 3.26Å; V1439-R1442 PolarHBondContact O-N 3.16Å; V1439-C1443 WeakPolarHBondContact O-CB 3.34Å; V1439-C1443 PolarHBondContact O-N 3.48Å; V1439-C1443 PolarHBondContact O-SG 3.35Å; V1439-L1469 HydrophobicContact CB-CD2 4.29Å; V1439-L1469 HydrophobicContact CG1-CD1 4.27Å; V1439-L1469 HydrophobicContact CG1-CD2 4.23Å; V1439-L1526 HydrophobicContact CG1-CD2 4.45Å; V1439-L1526 HydrophobicContact CG2-CD2 4.47Å; V1439-I1529 HydrophobicContact CG1-CG2 4.18Å; V1439-I1530 HydrophobicContact CG2-CD1 4.18Å; V1439-I1530 HydrophobicContact CG2-CG1 3.91Å; V1439-I1533 HydrophobicContact CG1-CD1 4.47Å |
| 1440 | A | 81.1 | Confident | 76 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1436 R1437 C1443 Y1444 G1445 L1469 L1473 | G1436-A1440 WeakPolarHBondContact O-CB 3.37Å; G1436-A1440 PolarHBondContact O-N 3.25Å; R1437-A1440 WeakPolarHBondContact O-CB 3.38Å; R1437-A1440 PolarHBondContact O-N 3.43Å; A1440-C1443 PolarHBondContact O-N 3.42Å; A1440-Y1444 WeakPolarHBondContact O-CA 3.42Å; A1440-Y1444 WeakPolarHBondContact O-CB 3.42Å; A1440-Y1444 PolarHBondContact O-N 3.36Å; A1440-G1445 PolarHBondContact O-N 3.07Å; A1440-L1469 HydrophobicContact CB-CB 4.1Å; A1440-L1469 HydrophobicContact CB-CD2 4.05Å; A1440-L1469 WeakPolarHBondContact CB-O 3.49Å; A1440-L1473 HydrophobicContact CB-CD1 4.02Å; A1440-L1473 HydrophobicContact CB-CD2 4.44Å; A1440-L1473 HydrophobicContact CB-CG 3.9Å |
| 1441 | D | 76.1 | Confident | 75 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 177.9 | -169.3 | 52.5 | 0 | 0 | 0 | 112.1 | R1437 V1439 C1443 G1445 L1473 | R1437-D1441 WeakPolarHBondContact O-CB 3.48Å; R1437-D1441 PolarHBondContact O-N 3.17Å; V1439-D1441 PolarHBondContact O-N 3.26Å; D1441-C1443 PolarHBondContact O-N 2.95Å; D1441-G1445 WeakPolarHBondContact O-CA 3.49Å; D1441-G1445 PolarHBondContact O-N 3.36Å; D1441-G1445 VanDerWaalsContact OD1-CA 3.3Å; D1441-G1445 WeakPolarHBondContact OD1-CA 3.37Å; D1441-L1473 HydrophobicContact CB-CD2 4.07Å |
| 1442 | R | 76.3 | Confident | 74.2 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.5 | -154.6 | 172.6 | -178.3 | 112.8 | -6.2 | 111.9 | R1438 V1439 R1454 L1457 T1497 D1537 | R1438-R1442 PolarHBondContact O-N 3.11Å; R1438-R1442 VanDerWaalsContact O-N 3.09Å; V1439-R1442 PolarHBondContact O-N 3.16Å; R1442-R1454 WeakPolarHBondContact O-CD 3.48Å; R1442-R1454 WeakPolarHBondContact O-CG 3.46Å; R1442-R1454 PolarHBondContact O-NE 3.44Å; R1442-L1457 HydrophobicContact CG-CD1 3.99Å; R1442-T1497 PolarHBondContact NH1-O 3.05Å; R1442-T1497 PolarHBondContact NH1-OG1 2.89Å; R1442-T1497 VanDerWaalsContact NH1-OG1 3.11Å; R1442-D1537 IonicContact CZ-OD2 2.72Å; R1442-D1537 IonicContact NE-OD2 3.63Å; R1442-D1537 IonicContact NH2-OD1 3.9Å; R1442-D1537 IonicContact NH2-OD2 3.71Å; R1442-D1537 PolarHBondContact NH2-OD2 3.43Å |
| 1443 | C | 77.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -86.8 | -33.9 | -175.9 | -63.1 | 0 | 0 | 0 | 0 | 114 | V1439 A1440 D1441 R1458 I1461 | V1439-C1443 WeakPolarHBondContact O-CB 3.34Å; V1439-C1443 PolarHBondContact O-N 3.48Å; V1439-C1443 PolarHBondContact O-SG 3.35Å; A1440-C1443 PolarHBondContact O-N 3.42Å; D1441-C1443 PolarHBondContact O-N 2.95Å; C1443-R1458 HydrophobicContact CB-CG 4.48Å; C1443-R1458 PolarHBondContact O-NE 2.9Å; C1443-R1458 PolarHBondContact O-NH2 3.41Å; C1443-R1458 VanDerWaalsContact O-NH2 3.13Å; C1443-I1461 HydrophobicContact CB-CD1 3.67Å |
| 1444 | Y | 78.9 | Confident | 72.7 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 13% | 0.125 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -131.2 | -8.1 | -169.6 | -53.8 | -73.3 | 0 | 0 | 0 | 114.6 | A1440 R1458 I1461 E1466 L1469 R1470 L1473 | A1440-Y1444 WeakPolarHBondContact O-CA 3.42Å; A1440-Y1444 WeakPolarHBondContact O-CB 3.42Å; A1440-Y1444 PolarHBondContact O-N 3.36Å; Y1444-R1458 HydrophobicContact CD1-CG 4.47Å; Y1444-R1458 HydrophobicContact CE1-CG 3.91Å; Y1444-I1461 HydrophobicContact CE2-CD1 3.71Å; Y1444-I1461 VanDerWaalsContact OH-CD1 3.29Å; Y1444-I1461 WeakPolarHBondContact OH-CD1 3.48Å; Y1444-E1466 WeakPolarHBondContact OH-CG 3.36Å; Y1444-L1469 HydrophobicContact CD2-CB 4.5Å; Y1444-L1469 HydrophobicContact CE2-CB 4.05Å; Y1444-L1469 HydrophobicContact CE2-CD1 4.45Å; Y1444-R1470 HydrophobicContact CD1-CG 4.29Å; Y1444-R1470 HydrophobicContact CD2-CG 4.22Å; Y1444-R1470 HydrophobicContact CE1-CG 4.33Å; Y1444-R1470 HydrophobicContact CE2-CG 4.26Å; Y1444-R1470 HydrophobicContact CG-CG 4.26Å; Y1444-L1473 VanDerWaalsContact CB-CD1 3.42Å; Y1444-L1473 HydrophobicContact CG-CD1 4.43Å |
| 1445 | G | 70 | Confident | 72.2 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -65.3 | 158.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1440 D1441 G1447 R1454 | A1440-G1445 PolarHBondContact O-N 3.07Å; D1441-G1445 WeakPolarHBondContact O-CA 3.49Å; D1441-G1445 PolarHBondContact O-N 3.36Å; D1441-G1445 VanDerWaalsContact OD1-CA 3.3Å; D1441-G1445 WeakPolarHBondContact OD1-CA 3.37Å; G1445-G1447 PolarHBondContact O-N 2.97Å; G1445-R1454 PolarHBondContact O-NH1 2.88Å; G1445-R1454 PolarHBondContact O-NH2 3.3Å |
| 1446 | P | 64 | Low | 71.8 | Confident | 102 Ų | 102 | 70.4 Ų | 70.4 | 66% | 0.662 | 34% | 0.342 | S | S | * | . | trans | -81.4 | 101.8 | 176.6 | 32 | -30.9 | 0 | 0 | 0 | 110.2 | ||||
| 1447 | G | 56.6 | Low | 71.2 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | trans | -149.6 | 138 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1445 N1449 R1454 | G1445-G1447 PolarHBondContact O-N 2.97Å; G1447-N1449 PolarHBondContact O-N 3.22Å; G1447-R1454 VanDerWaalsContact N-NH1 3.19Å; G1447-R1454 PolarHBondContact O-NH1 3.08Å | ||
| 1448 | H | 53.1 | Low | 70.9 | Confident | 187 Ų | 187 | 69.9 Ų | 69.9 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.1 | -162.1 | -96.4 | -87.2 | 0 | 0 | 0 | 115.7 | ||
| 1449 | N | 48.6 | Very low | 70.8 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -0.2 | -153.9 | -71.7 | -6.3 | 0 | 0 | 0 | 118.6 | G1447 | G1447-N1449 PolarHBondContact O-N 3.22Š|
| 1450 | N | 60.6 | Low | 70.7 | Confident | 83 Ų | 83 | 78.2 Ų | 78.2 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | trans | -161.3 | 65.4 | 174.4 | -108.3 | -21.9 | 0 | 0 | 0 | 115.4 | K1452 Q1453 R1454 | N1450-K1452 PolarHBondContact O-N 3.37Å; N1450-K1452 VanDerWaalsContact O-N 3.09Å; N1450-Q1453 HydrophobicContact CB-CB 4.13Å; N1450-Q1453 HydrophobicContact CB-CG 4.33Å; N1450-Q1453 PolarHBondContact ND2-OE1 3.45Å; N1450-Q1453 PolarHBondContact O-N 3.31Å; N1450-Q1453 VanDerWaalsContact O-N 3.12Å; N1450-R1454 PolarHBondContact O-N 3.18Å; N1450-R1454 VanDerWaalsContact O-N 3.16Å | ||
| 1451 | I | 66.1 | Low | 70.7 | Confident | 122 Ų | 122 | 79 Ų | 79 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -50.3 | -37 | 173.6 | -63 | 168.1 | 0 | 0 | 0 | 111.3 | R1454 L1455 | I1451-R1454 PolarHBondContact O-N 2.94Å; I1451-L1455 HydrophobicContact CG2-CD1 4.03Å; I1451-L1455 HydrophobicContact CG2-CG 4.36Å; I1451-L1455 WeakPolarHBondContact O-CG 3.46Å; I1451-L1455 PolarHBondContact O-N 3.16Å |
| 1452 | K | 71.5 | Confident | 71 | Confident | 147 Ų | 147 | 77.5 Ų | 77.5 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | -179.7 | -166.1 | 176.8 | -178.7 | -179.4 | 0 | 113.3 | N1450 R1456 | N1450-K1452 PolarHBondContact O-N 3.37Å; N1450-K1452 VanDerWaalsContact O-N 3.09Å; K1452-R1456 WeakPolarHBondContact O-CG 3.37Å; K1452-R1456 PolarHBondContact O-N 3.04Å |
| 1453 | Q | 69.8 | Low | 71.2 | Confident | 87 Ų | 87 | 82 Ų | 82 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 174 | -78.2 | 178.6 | -38.5 | 0 | 0 | 110.5 | N1450 L1455 R1456 L1457 | N1450-Q1453 HydrophobicContact CB-CB 4.13Å; N1450-Q1453 HydrophobicContact CB-CG 4.33Å; N1450-Q1453 PolarHBondContact ND2-OE1 3.45Å; N1450-Q1453 PolarHBondContact O-N 3.31Å; N1450-Q1453 VanDerWaalsContact O-N 3.12Å; Q1453-L1455 VanDerWaalsContact C-N 3.34Å; Q1453-L1455 PolarHBondContact O-N 3.38Å; Q1453-R1456 WeakPolarHBondContact O-CA 3.42Å; Q1453-R1456 WeakPolarHBondContact O-CB 3.4Å; Q1453-R1456 PolarHBondContact O-N 3.03Å; Q1453-L1457 WeakPolarHBondContact O-CG 3.27Å; Q1453-L1457 PolarHBondContact O-N 3.27Å |
| 1454 | R | 71.4 | Confident | 71.4 | Confident | 50 Ų | 50 | 86.7 Ų | 86.7 | 19% | 0.189 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.6 | -66.3 | -160 | 176.1 | 125 | -3.3 | 113.1 | R1442 G1445 G1447 N1450 I1451 R1456 L1457 R1458 | R1442-R1454 WeakPolarHBondContact O-CD 3.48Å; R1442-R1454 WeakPolarHBondContact O-CG 3.46Å; R1442-R1454 PolarHBondContact O-NE 3.44Å; G1445-R1454 PolarHBondContact O-NH1 2.88Å; G1445-R1454 PolarHBondContact O-NH2 3.3Å; G1447-R1454 VanDerWaalsContact N-NH1 3.19Å; G1447-R1454 PolarHBondContact O-NH1 3.08Å; N1450-R1454 PolarHBondContact O-N 3.18Å; N1450-R1454 VanDerWaalsContact O-N 3.16Å; I1451-R1454 PolarHBondContact O-N 2.94Å; R1454-R1456 VanDerWaalsContact C-N 3.27Å; R1454-R1456 PolarHBondContact O-N 2.96Å; R1454-L1457 PolarHBondContact O-N 3.36Å; R1454-R1458 VanDerWaalsContact O-CG 3.31Å; R1454-R1458 WeakPolarHBondContact O-CG 3.46Å; R1454-R1458 PolarHBondContact O-N 3.46Å |
| 1455 | L | 73.5 | Confident | 71.6 | Confident | 97 Ų | 97 | 85.4 Ų | 85.4 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 175.8 | -72.2 | 173.4 | 0 | 0 | 0 | 111.9 | I1451 Q1453 | I1451-L1455 HydrophobicContact CG2-CD1 4.03Å; I1451-L1455 HydrophobicContact CG2-CG 4.36Å; I1451-L1455 WeakPolarHBondContact O-CG 3.46Å; I1451-L1455 PolarHBondContact O-N 3.16Å; Q1453-L1455 VanDerWaalsContact C-N 3.34Å; Q1453-L1455 PolarHBondContact O-N 3.38Å |
| 1456 | R | 76.2 | Confident | 72.2 | Confident | 137 Ų | 137 | 87 Ų | 87 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 172.4 | -72.4 | 177.3 | 170.1 | -176.2 | -6 | 111.8 | K1452 Q1453 R1454 R1458 V1459 F1460 | K1452-R1456 WeakPolarHBondContact O-CG 3.37Å; K1452-R1456 PolarHBondContact O-N 3.04Å; Q1453-R1456 WeakPolarHBondContact O-CA 3.42Å; Q1453-R1456 WeakPolarHBondContact O-CB 3.4Å; Q1453-R1456 PolarHBondContact O-N 3.03Å; R1454-R1456 VanDerWaalsContact C-N 3.27Å; R1454-R1456 PolarHBondContact O-N 2.96Å; R1456-R1458 PolarHBondContact O-N 2.87Å; R1456-V1459 WeakPolarHBondContact O-CB 3.2Å; R1456-V1459 PolarHBondContact O-N 3.49Å; R1456-V1459 VanDerWaalsContact O-N 3.12Å; R1456-F1460 WeakPolarHBondContact O-CD2 3.16Å; R1456-F1460 WeakPolarHBondContact O-CE2 3.48Å |
| 1457 | L | 75.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 85.8 Ų | 85.8 | 4% | 0.037 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 179.1 | -63.6 | 170.9 | 0 | 0 | 0 | 112.1 | R1442 Q1453 R1454 V1459 F1460 I1533 | R1442-L1457 HydrophobicContact CG-CD1 3.99Å; Q1453-L1457 WeakPolarHBondContact O-CG 3.27Å; Q1453-L1457 PolarHBondContact O-N 3.27Å; R1454-L1457 PolarHBondContact O-N 3.36Å; L1457-V1459 VanDerWaalsContact C-N 3.26Å; L1457-V1459 PolarHBondContact O-N 3.25Å; L1457-F1460 PolarHBondContact O-N 3.12Å; L1457-I1533 HydrophobicContact CD2-CB 4.2Å; L1457-I1533 HydrophobicContact CD2-CD1 4.4Å; L1457-I1533 HydrophobicContact CD2-CG1 3.77Å; L1457-I1533 HydrophobicContact CD2-CG2 3.8Å |
| 1458 | R | 77.5 | Confident | 74.5 | Confident | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -25 | 177 | -73.8 | 174.7 | -168.9 | -169 | 2.6 | 114.1 | C1443 Y1444 R1454 R1456 F1460 I1461 | C1443-R1458 HydrophobicContact CB-CG 4.48Å; C1443-R1458 PolarHBondContact O-NE 2.9Å; C1443-R1458 PolarHBondContact O-NH2 3.41Å; C1443-R1458 VanDerWaalsContact O-NH2 3.13Å; Y1444-R1458 HydrophobicContact CD1-CG 4.47Å; Y1444-R1458 HydrophobicContact CE1-CG 3.91Å; R1454-R1458 VanDerWaalsContact O-CG 3.31Å; R1454-R1458 WeakPolarHBondContact O-CG 3.46Å; R1454-R1458 PolarHBondContact O-N 3.46Å; R1456-R1458 PolarHBondContact O-N 2.87Å; R1458-F1460 PolarHBondContact O-N 3.06Å; R1458-I1461 PolarHBondContact O-N 3.11Å |
| 1459 | V | 81 | Confident | 76 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 70% | 0.703 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.6 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | R1456 L1457 I1461 | R1456-V1459 WeakPolarHBondContact O-CB 3.2Å; R1456-V1459 PolarHBondContact O-N 3.49Å; R1456-V1459 VanDerWaalsContact O-N 3.12Å; L1457-V1459 VanDerWaalsContact C-N 3.26Å; L1457-V1459 PolarHBondContact O-N 3.25Å; V1459-I1461 VanDerWaalsContact C-N 3.32Å |
| 1460 | F | 79.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.9 | -179.6 | -58.3 | -79.1 | 0 | 0 | 0 | 113.8 | R1456 L1457 R1458 P1462 A1532 L1536 | R1456-F1460 WeakPolarHBondContact O-CD2 3.16Å; R1456-F1460 WeakPolarHBondContact O-CE2 3.48Å; L1457-F1460 PolarHBondContact O-N 3.12Å; R1458-F1460 PolarHBondContact O-N 3.06Å; F1460-P1462 VanDerWaalsContact O-CD 3.32Å; F1460-P1462 WeakPolarHBondContact O-CD 3.32Å; F1460-A1532 HydrophobicContact CB-CB 4.31Å; F1460-A1532 HydrophobicContact CD1-CB 3.7Å; F1460-A1532 HydrophobicContact CE1-CB 4.26Å; F1460-A1532 HydrophobicContact CG-CB 4.04Å; F1460-L1536 HydrophobicContact CD2-CD1 4.28Å; F1460-L1536 HydrophobicContact CE2-CD1 3.18Å; F1460-L1536 HydrophobicContact CZ-CD1 3.48Å; F1460-L1536 VanDerWaalsContact CZ-CD1 3.48Å |
| 1461 | I | 82.2 | Confident | 78.4 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | trans | -89.9 | 117.2 | -175.7 | -59.9 | 176.9 | 0 | 0 | 0 | 109.7 | C1443 Y1444 R1458 V1459 E1466 L1469 | C1443-I1461 HydrophobicContact CB-CD1 3.67Å; Y1444-I1461 HydrophobicContact CE2-CD1 3.71Å; Y1444-I1461 VanDerWaalsContact OH-CD1 3.29Å; Y1444-I1461 WeakPolarHBondContact OH-CD1 3.48Å; R1458-I1461 PolarHBondContact O-N 3.11Å; V1459-I1461 VanDerWaalsContact C-N 3.32Å; I1461-E1466 HydrophobicContact CG2-CB 4.03Å; I1461-L1469 HydrophobicContact CD1-CD1 4.05Å; I1461-L1469 HydrophobicContact CG1-CD1 4.47Å; I1461-L1469 HydrophobicContact CG2-CD1 3.93Å | ||
| 1462 | P | 82.3 | Confident | 79.2 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | trans | -63.9 | 144.2 | 171.6 | -21.5 | 35.9 | 0 | 0 | 0 | 111.9 | F1460 T1464 I1465 E1466 | F1460-P1462 VanDerWaalsContact O-CD 3.32Å; F1460-P1462 WeakPolarHBondContact O-CD 3.32Å; P1462-T1464 WeakPolarHBondContact CB-OG1 3.36Å; P1462-T1464 PolarHBondContact O-N 3.42Å; P1462-T1464 VanDerWaalsContact O-N 3.08Å; P1462-I1465 PolarHBondContact O-N 2.6Å; P1462-I1465 VanDerWaalsContact O-N 3.13Å; P1462-E1466 PolarHBondContact O-N 2.77Å; P1462-E1466 VanDerWaalsContact O-N 3.12Å | ||
| 1463 | L | 79.4 | Confident | 79.2 | Confident | 150 Ų | 150 | 67.1 Ų | 67.1 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.3 | -25.1 | 177.6 | -73 | 163.5 | 0 | 0 | 0 | 112.9 | E1466 | L1463-E1466 WeakPolarHBondContact CD2-OE2 3.39Å |
| 1464 | T | 81.6 | Confident | 78.9 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 177.8 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | P1462 E1525 | P1462-T1464 WeakPolarHBondContact CB-OG1 3.36Å; P1462-T1464 PolarHBondContact O-N 3.42Å; P1462-T1464 VanDerWaalsContact O-N 3.08Å; T1464-E1525 PolarHBondContact OG1-OE1 3.06Å; T1464-E1525 PolarHBondContact OG1-OE2 3.49Å |
| 1465 | I | 84.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -103.5 | -18.5 | -176.5 | -76.4 | -179.8 | 0 | 0 | 0 | 112.9 | P1462 A1467 W1468 L1469 I1522 E1525 | P1462-I1465 PolarHBondContact O-N 2.6Å; P1462-I1465 VanDerWaalsContact O-N 3.13Å; I1465-A1467 VanDerWaalsContact C-N 3.28Å; I1465-A1467 PolarHBondContact O-N 2.99Å; I1465-W1468 HydrophobicContact CG2-CE3 4.14Å; I1465-W1468 WeakPolarHBondContact O-CA 3.4Å; I1465-W1468 WeakPolarHBondContact O-CB 3.32Å; I1465-W1468 PolarHBondContact O-N 3.37Å; I1465-L1469 HydrophobicContact CG2-CD1 3.68Å; I1465-L1469 HydrophobicContact CG2-CG 3.62Å; I1465-L1469 PolarHBondContact O-N 3.15Å; I1465-I1522 HydrophobicContact CD1-CB 4.36Å; I1465-I1522 HydrophobicContact CD1-CG2 3.99Å; I1465-I1522 HydrophobicContact CG1-CG2 4.39Å; I1465-E1525 HydrophobicContact CD1-CB 3.23Å; I1465-E1525 HydrophobicContact CD1-CG 3.96Å; I1465-E1525 WeakPolarHBondContact CD1-OE2 3.42Å; I1465-E1525 HydrophobicContact CG1-CB 4.48Å; I1465-E1525 WeakPolarHBondContact CG1-OE2 3.46Å |
| 1466 | E | 81.7 | Confident | 77 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -51.3 | -44.9 | -179.6 | 176.5 | 172.4 | -176.5 | 0 | 0 | 113.3 | Y1444 I1461 P1462 L1463 W1468 L1469 R1470 | Y1444-E1466 WeakPolarHBondContact OH-CG 3.36Å; I1461-E1466 HydrophobicContact CG2-CB 4.03Å; P1462-E1466 PolarHBondContact O-N 2.77Å; P1462-E1466 VanDerWaalsContact O-N 3.12Å; L1463-E1466 WeakPolarHBondContact CD2-OE2 3.39Å; E1466-W1468 VanDerWaalsContact C-N 3.34Å; E1466-W1468 PolarHBondContact O-N 3.07Å; E1466-L1469 PolarHBondContact O-N 3.49Å; E1466-R1470 WeakPolarHBondContact O-CB 3.27Å; E1466-R1470 WeakPolarHBondContact O-CG 3.35Å; E1466-R1470 PolarHBondContact O-N 3.5Å; E1466-R1470 IonicContact OE1-CZ 3.76Å; E1466-R1470 IonicContact OE1-NE 3.31Å; E1466-R1470 IonicContact OE1-NH1 2.71Å; E1466-R1470 PolarHBondContact OE1-NH1 2.86Å; E1466-R1470 IonicContact OE1-NH2 2.99Å; E1466-R1470 PolarHBondContact OE1-NH2 3.39Å |
| 1467 | A | 82.9 | Confident | 75.3 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1465 G1471 | I1465-A1467 VanDerWaalsContact C-N 3.28Å; I1465-A1467 PolarHBondContact O-N 2.99Å; A1467-G1471 PolarHBondContact O-N 3.42Å |
| 1468 | W | 86.1 | Confident | 73.5 | Confident | 56 Ų | 56 | 75 Ų | 75 | 21% | 0.212 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.8 | -51 | 176.8 | -178.1 | 80.7 | 0 | 0 | 0 | 110.6 | L1432 F1433 I1465 E1466 R1470 G1471 L1472 I1522 L1526 | L1432-W1468 HydrophobicContact CG-CH2 4.28Å; L1432-W1468 HydrophobicContact CG-CZ2 4.5Å; F1433-W1468 AromaticContact CD1-CZ2 3.93Å; F1433-W1468 HydrophobicContact CD1-CZ2 3.93Å; F1433-W1468 HydrophobicContact CE1-CZ2 4.04Å; F1433-W1468 AromaticContact CE1-NE1 3.93Å; I1465-W1468 HydrophobicContact CG2-CE3 4.14Å; I1465-W1468 WeakPolarHBondContact O-CA 3.4Å; I1465-W1468 WeakPolarHBondContact O-CB 3.32Å; I1465-W1468 PolarHBondContact O-N 3.37Å; E1466-W1468 VanDerWaalsContact C-N 3.34Å; E1466-W1468 PolarHBondContact O-N 3.07Å; W1468-R1470 PolarHBondContact O-N 3.2Å; W1468-G1471 PolarHBondContact O-N 3.39Å; W1468-L1472 HydrophobicContact CD2-CD1 4.06Å; W1468-L1472 HydrophobicContact CD2-CG 4.46Å; W1468-L1472 HydrophobicContact CE3-CD1 3.8Å; W1468-L1472 HydrophobicContact CH2-CD1 3.62Å; W1468-L1472 HydrophobicContact CZ2-CD1 3.85Å; W1468-L1472 HydrophobicContact CZ2-CD2 4.44Å; W1468-L1472 HydrophobicContact CZ3-CD1 3.57Å; W1468-L1472 WeakPolarHBondContact O-CG 3.28Å; W1468-L1472 PolarHBondContact O-N 3.37Å; W1468-I1522 HydrophobicContact CD2-CG2 4.1Å; W1468-I1522 HydrophobicContact CE3-CG2 3.91Å; W1468-I1522 HydrophobicContact CH2-CG2 3.99Å; W1468-I1522 HydrophobicContact CZ2-CG2 4.2Å; W1468-I1522 HydrophobicContact CZ3-CG2 3.86Å; W1468-L1526 HydrophobicContact CH2-CD1 3.94Å; W1468-L1526 HydrophobicContact CZ3-CD1 3.73Å; W1468-L1526 HydrophobicContact CZ3-CD2 4.4Å; W1468-L1526 HydrophobicContact CZ3-CG 4.42Å |
| 1469 | L | 83.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 177.5 | -75.3 | 173.3 | 0 | 0 | 0 | 112.5 | G1436 V1439 A1440 Y1444 I1461 I1465 E1466 G1471 L1472 L1526 | G1436-L1469 WeakPolarHBondContact O-CD2 3.31Å; V1439-L1469 HydrophobicContact CB-CD2 4.29Å; V1439-L1469 HydrophobicContact CG1-CD1 4.27Å; V1439-L1469 HydrophobicContact CG1-CD2 4.23Å; A1440-L1469 HydrophobicContact CB-CB 4.1Å; A1440-L1469 HydrophobicContact CB-CD2 4.05Å; A1440-L1469 WeakPolarHBondContact CB-O 3.49Å; Y1444-L1469 HydrophobicContact CD2-CB 4.5Å; Y1444-L1469 HydrophobicContact CE2-CB 4.05Å; Y1444-L1469 HydrophobicContact CE2-CD1 4.45Å; I1461-L1469 HydrophobicContact CD1-CD1 4.05Å; I1461-L1469 HydrophobicContact CG1-CD1 4.47Å; I1461-L1469 HydrophobicContact CG2-CD1 3.93Å; I1465-L1469 HydrophobicContact CG2-CD1 3.68Å; I1465-L1469 HydrophobicContact CG2-CG 3.62Å; I1465-L1469 PolarHBondContact O-N 3.15Å; E1466-L1469 PolarHBondContact O-N 3.49Å; L1469-G1471 VanDerWaalsContact C-N 3.3Å; L1469-G1471 PolarHBondContact O-N 2.92Å; L1469-L1472 HydrophobicContact CD2-CD1 4.48Å; L1469-L1472 WeakPolarHBondContact O-CB 3.22Å; L1469-L1472 PolarHBondContact O-N 2.89Å; L1469-L1472 VanDerWaalsContact O-N 3.15Å; L1469-L1526 HydrophobicContact CD2-CD2 4.13Å |
| 1470 | R | 79 | Confident | 69.1 | Low | 124 Ų | 124 | 76.5 Ų | 76.5 | 47% | 0.468 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.3 | -78.4 | -174.6 | 175.3 | 139.6 | 8.6 | 112.6 | Y1444 E1466 W1468 L1472 L1473 | Y1444-R1470 HydrophobicContact CD1-CG 4.29Å; Y1444-R1470 HydrophobicContact CD2-CG 4.22Å; Y1444-R1470 HydrophobicContact CE1-CG 4.33Å; Y1444-R1470 HydrophobicContact CE2-CG 4.26Å; Y1444-R1470 HydrophobicContact CG-CG 4.26Å; E1466-R1470 WeakPolarHBondContact O-CB 3.27Å; E1466-R1470 WeakPolarHBondContact O-CG 3.35Å; E1466-R1470 PolarHBondContact O-N 3.5Å; E1466-R1470 IonicContact OE1-CZ 3.76Å; E1466-R1470 IonicContact OE1-NE 3.31Å; E1466-R1470 IonicContact OE1-NH1 2.71Å; E1466-R1470 PolarHBondContact OE1-NH1 2.86Å; E1466-R1470 IonicContact OE1-NH2 2.99Å; E1466-R1470 PolarHBondContact OE1-NH2 3.39Å; W1468-R1470 PolarHBondContact O-N 3.2Å; R1470-L1472 PolarHBondContact O-N 3.49Å; R1470-L1473 PolarHBondContact O-N 3.07Å |
| 1471 | G | 81.4 | Confident | 66.8 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -15.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1467 W1468 L1469 | A1467-G1471 PolarHBondContact O-N 3.42Å; W1468-G1471 PolarHBondContact O-N 3.39Å; L1469-G1471 VanDerWaalsContact C-N 3.3Å; L1469-G1471 PolarHBondContact O-N 2.92Å |
| 1472 | L | 82 | Confident | 64.2 | Low | 28 Ų | 28 | 84.8 Ų | 84.8 | 15% | 0.147 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.3 | 177.1 | -65.5 | -179.9 | 0 | 0 | 0 | 113.8 | F1433 R1437 W1468 L1469 R1470 | F1433-L1472 HydrophobicContact CD1-CD2 3.68Å; F1433-L1472 HydrophobicContact CE1-CD2 4.24Å; R1437-L1472 HydrophobicContact CG-CB 3.8Å; R1437-L1472 HydrophobicContact CG-CD1 4.42Å; R1437-L1472 HydrophobicContact CG-CG 4.49Å; W1468-L1472 HydrophobicContact CD2-CD1 4.06Å; W1468-L1472 HydrophobicContact CD2-CG 4.46Å; W1468-L1472 HydrophobicContact CE3-CD1 3.8Å; W1468-L1472 HydrophobicContact CH2-CD1 3.62Å; W1468-L1472 HydrophobicContact CZ2-CD1 3.85Å; W1468-L1472 HydrophobicContact CZ2-CD2 4.44Å; W1468-L1472 HydrophobicContact CZ3-CD1 3.57Å; W1468-L1472 WeakPolarHBondContact O-CG 3.28Å; W1468-L1472 PolarHBondContact O-N 3.37Å; L1469-L1472 HydrophobicContact CD2-CD1 4.48Å; L1469-L1472 WeakPolarHBondContact O-CB 3.22Å; L1469-L1472 PolarHBondContact O-N 2.89Å; L1469-L1472 VanDerWaalsContact O-N 3.15Å; R1470-L1472 PolarHBondContact O-N 3.49Å |
| 1473 | L | 72.7 | Confident | 61.6 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -84 | 144.9 | 178.7 | -75.9 | 163 | 0 | 0 | 0 | 111.3 | A1440 D1441 Y1444 R1470 | A1440-L1473 HydrophobicContact CB-CD1 4.02Å; A1440-L1473 HydrophobicContact CB-CD2 4.44Å; A1440-L1473 HydrophobicContact CB-CG 3.9Å; D1441-L1473 HydrophobicContact CB-CD2 4.07Å; Y1444-L1473 VanDerWaalsContact CB-CD1 3.42Å; Y1444-L1473 HydrophobicContact CG-CD1 4.43Å; R1470-L1473 PolarHBondContact O-N 3.07Å |
| 1474 | P | 62.8 | Low | 59.1 | Low | 95 Ų | 95 | 93 Ų | 93 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 141.9 | 174 | 23.4 | -30.6 | 0 | 0 | 0 | 110.6 | I1476 | P1474-I1476 PolarHBondContact O-N 3.38Š|
| 1475 | P | 56.3 | Low | 56.6 | Low | 93 Ų | 93 | 96 Ų | 96 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.8 | 178 | 23.5 | -31.5 | 0 | 0 | 0 | 110.4 | S1477 S1478 | P1475-S1477 PolarHBondContact O-N 3.06Å; P1475-S1478 PolarHBondContact O-N 2.87Å; P1475-S1478 PolarHBondContact O-OG 2.87Å |
| 1476 | I | 48.9 | Very low | 53.8 | Low | 157 Ų | 157 | 102.5 Ų | 102.5 | 81% | 0.805 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -55.8 | -19.1 | -174.1 | -61.5 | 164 | 0 | 0 | 0 | 112.7 | P1474 S1478 | P1474-I1476 PolarHBondContact O-N 3.38Å; I1476-S1478 PolarHBondContact O-N 3.2Å |
| 1477 | S | 40.6 | Very low | 51.2 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -74.9 | 5.4 | -179.8 | 60.9 | 0 | 0 | 0 | 0 | 116 | P1475 | P1475-S1477 PolarHBondContact O-N 3.06Š|
| 1478 | S | 37.4 | Very low | 48.5 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -116.2 | 17.1 | 178.2 | 69.1 | 0 | 0 | 0 | 0 | 115 | P1475 I1476 P1480 | P1475-S1478 PolarHBondContact O-N 2.87Å; P1475-S1478 PolarHBondContact O-OG 2.87Å; I1476-S1478 PolarHBondContact O-N 3.2Å; S1478-P1480 WeakPolarHBondContact O-CD 3.35Å |
| 1479 | L | 32.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -82.7 | 117.5 | 165.1 | -84 | 109.2 | 0 | 0 | 0 | 109 | D1481 | L1479-D1481 PolarHBondContact O-N 3.07Š|
| 1480 | P | 33.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.8 | 179.7 | 25.1 | -30.2 | 0 | 0 | 0 | 109.8 | S1478 S1482 | S1478-P1480 WeakPolarHBondContact O-CD 3.35Å; P1480-S1482 PolarHBondContact O-N 3.24Å |
| 1481 | D | 30.7 | Very low | 40.6 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 129 | -177.4 | -73.7 | -46.3 | 0 | 0 | 0 | 111.6 | L1479 Q1483 | L1479-D1481 PolarHBondContact O-N 3.07Å; D1481-Q1483 PolarHBondContact O-N 3.34Å |
| 1482 | S | 28.5 | Very low | 38.2 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | -31 | 95.7 | 173.3 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | P1480 | P1480-S1482 PolarHBondContact O-N 3.24Š| ||
| 1483 | Q | 27.1 | Very low | 35.8 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | -106.8 | 124.6 | 159.7 | -75.4 | -168.9 | -13.3 | 0 | 0 | 108.5 | D1481 I1485 | D1481-Q1483 PolarHBondContact O-N 3.34Å; Q1483-I1485 PolarHBondContact O-N 3.25Å; Q1483-I1485 VanDerWaalsContact O-N 3.1Å | ||
| 1484 | Q | 26.2 | Very low | 33.8 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -38.8 | 103.4 | -178.4 | -67.3 | 163 | -27.8 | 0 | 0 | 112.9 | ||||
| 1485 | I | 29.3 | Very low | 32.7 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -105 | 119.1 | 162.9 | -66.2 | 173 | 0 | 0 | 0 | 106.3 | Q1483 | Q1483-I1485 PolarHBondContact O-N 3.25Å; Q1483-I1485 VanDerWaalsContact O-N 3.1Å | ||
| 1486 | N | 25.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -58 | 141.5 | -175.1 | -71.7 | -42.9 | 0 | 0 | 0 | 112.8 | H1488 | N1486-H1488 PolarHBondContact O-N 3.46Š| ||
| 1487 | D | 28.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -67.3 | 39.2 | -176.6 | -79.6 | -42.8 | 0 | 0 | 0 | 116 | ||
| 1488 | H | 25.4 | Very low | 33 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -129.8 | 78.2 | 174.9 | -72.8 | -48.6 | 0 | 0 | 0 | 111.1 | N1486 | N1486-H1488 PolarHBondContact O-N 3.46Š| ||
| 1489 | D | 25.8 | Very low | 34.3 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | trans | -179 | 99.3 | 141.4 | -91.3 | -27.9 | 0 | 0 | 0 | 110.4 | Q1491 | D1489-Q1491 PolarHBondContact O-N 3.49Š| ||
| 1490 | P | 30.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -72.2 | 11.7 | 179.3 | -8.8 | 23.7 | 0 | 0 | 0 | 114.5 | ||
| 1491 | Q | 28.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -86.4 | -10.3 | -170.4 | -65.8 | -168.1 | 5.7 | 0 | 0 | 115.1 | D1489 | D1489-Q1491 PolarHBondContact O-N 3.49Š|
| 1492 | F | 29.1 | Very low | 40.2 | Very low | 190 Ų | 190 | 117.2 Ų | 117.2 | 83% | 0.833 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -95.9 | 0.5 | -178.7 | -86 | -76.8 | 0 | 0 | 0 | 116 | ||
| 1493 | T | 31.9 | Very low | 42.8 | Very low | 119 Ų | 119 | 112.9 Ų | 112.9 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -111.8 | 10.2 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 116 | ||
| 1494 | S | 32 | Very low | 45.4 | Very low | 93 Ų | 93 | 109 Ų | 109 | 65% | 0.65 | 58% | 0.576 | S | S | * | * | trans | -116.6 | 53.4 | 177.2 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1495 | S | 39.4 | Very low | 48.1 | Very low | 88 Ų | 88 | 99.7 Ų | 99.7 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | trans | -100.1 | 65 | 158.7 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | T1497 | S1495-T1497 VanDerWaalsContact C-N 3.27Å; S1495-T1497 PolarHBondContact O-N 2.92Å | ||
| 1496 | T | 43.7 | Very low | 50.9 | Low | 120 Ų | 120 | 92 Ų | 92 | 74% | 0.736 | 49% | 0.494 | S | S | * | . | trans | -61.6 | 98.4 | 160.9 | 45.4 | 0 | 0 | 0 | 0 | 106.4 | D1498 | T1496-D1498 PolarHBondContact O-N 2.85Å; T1496-D1498 VanDerWaalsContact O-N 3.12Å | ||
| 1497 | T | 50.4 | Low | 53.8 | Low | 32 Ų | 32 | 88.5 Ų | 88.5 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | trans | -47 | 119.8 | 169.3 | 38.7 | 0 | 0 | 0 | 0 | 108.1 | R1442 S1495 V1499 | R1442-T1497 PolarHBondContact NH1-O 3.05Å; R1442-T1497 PolarHBondContact NH1-OG1 2.89Å; R1442-T1497 VanDerWaalsContact NH1-OG1 3.11Å; S1495-T1497 VanDerWaalsContact C-N 3.27Å; S1495-T1497 PolarHBondContact O-N 2.92Å; T1497-V1499 PolarHBondContact O-N 3.39Å | ||
| 1498 | D | 57.6 | Low | 56.5 | Low | 94 Ų | 94 | 82 Ų | 82 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -62.9 | 110.7 | 178 | -169.6 | -3.3 | 0 | 0 | 0 | 106.9 | T1496 K1500 T1501 | T1496-D1498 PolarHBondContact O-N 2.85Å; T1496-D1498 VanDerWaalsContact O-N 3.12Å; D1498-K1500 PolarHBondContact O-N 3.03Å; D1498-K1500 PolarHBondContact OD1-N 3.01Å; D1498-T1501 HydrophobicContact CB-CG2 4.35Å; D1498-T1501 PolarHBondContact O-N 3.29Å; D1498-T1501 PolarHBondContact O-OG1 2.83Å | ||
| 1499 | V | 65.6 | Low | 59.4 | Low | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.1 | -23.8 | -172.3 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | T1497 T1501 L1502 T1503 I1533 V1534 D1537 | T1497-V1499 PolarHBondContact O-N 3.39Å; V1499-T1501 VanDerWaalsContact C-N 3.31Å; V1499-T1501 PolarHBondContact O-N 3.48Å; V1499-L1502 PolarHBondContact O-N 3.38Å; V1499-T1503 PolarHBondContact O-N 3.37Å; V1499-T1503 PolarHBondContact O-OG1 3.4Å; V1499-I1533 HydrophobicContact CG1-CG2 4.08Å; V1499-V1534 HydrophobicContact CB-CG2 4.03Å; V1499-V1534 HydrophobicContact CG1-CB 4.28Å; V1499-V1534 HydrophobicContact CG1-CG2 3.28Å; V1499-D1537 WeakPolarHBondContact CG2-OD2 3.3Å |
| 1500 | K | 69.2 | Low | 62.3 | Low | 158 Ų | 158 | 69.7 Ų | 69.7 | 69% | 0.687 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.7 | -35.7 | 173.3 | -66.4 | 179.4 | 179.6 | 175.5 | 0 | 113.3 | D1498 T1503 F1504 | D1498-K1500 PolarHBondContact O-N 3.03Å; D1498-K1500 PolarHBondContact OD1-N 3.01Å; K1500-T1503 PolarHBondContact O-N 2.94Å; K1500-F1504 PolarHBondContact O-N 3.37Å |
| 1501 | T | 71.9 | Confident | 65 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.5 | -33.6 | 179 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | D1411 D1498 V1499 T1503 F1504 L1505 | D1411-T1501 HydrophobicContact CB-CG2 4.2Å; D1411-T1501 WeakPolarHBondContact OD2-CB 3.41Å; D1411-T1501 PolarHBondContact OD2-OG1 3.34Å; D1498-T1501 HydrophobicContact CB-CG2 4.35Å; D1498-T1501 PolarHBondContact O-N 3.29Å; D1498-T1501 PolarHBondContact O-OG1 2.83Å; V1499-T1501 VanDerWaalsContact C-N 3.31Å; V1499-T1501 PolarHBondContact O-N 3.48Å; T1501-T1503 VanDerWaalsContact C-N 3.34Å; T1501-T1503 PolarHBondContact O-N 3.16Å; T1501-F1504 PolarHBondContact O-N 3.03Å; T1501-L1505 VanDerWaalsContact O-CG 3.31Å; T1501-L1505 WeakPolarHBondContact O-CG 3.33Å; T1501-L1505 PolarHBondContact O-N 3.42Å |
| 1502 | L | 79 | Confident | 67.8 | Low | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.4 | -71.8 | 173.7 | 0 | 0 | 0 | 111.9 | V1435 R1438 V1499 L1505 I1506 I1530 | V1435-L1502 HydrophobicContact CG1-CD2 4.45Å; R1438-L1502 HydrophobicContact CB-CD2 4.01Å; V1499-L1502 PolarHBondContact O-N 3.38Å; L1502-L1505 PolarHBondContact O-N 2.97Å; L1502-I1506 WeakPolarHBondContact O-CG2 3.43Å; L1502-I1506 PolarHBondContact O-N 3.34Å; L1502-I1530 HydrophobicContact CB-CD1 4.3Å; L1502-I1530 HydrophobicContact CB-CG2 4.03Å |
| 1503 | T | 82.4 | Confident | 70.4 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 176.3 | -41.8 | 0 | 0 | 0 | 0 | 111.2 | V1499 K1500 T1501 L1505 I1506 D1507 | V1499-T1503 PolarHBondContact O-N 3.37Å; V1499-T1503 PolarHBondContact O-OG1 3.4Å; K1500-T1503 PolarHBondContact O-N 2.94Å; T1501-T1503 VanDerWaalsContact C-N 3.34Å; T1501-T1503 PolarHBondContact O-N 3.16Å; T1503-L1505 VanDerWaalsContact C-N 3.34Å; T1503-L1505 PolarHBondContact O-N 3.46Å; T1503-I1506 VanDerWaalsContact O-CG2 3.31Å; T1503-I1506 WeakPolarHBondContact O-CG2 3.36Å; T1503-D1507 WeakPolarHBondContact O-CB 3.45Å; T1503-D1507 PolarHBondContact O-N 3.12Å; T1503-D1507 VanDerWaalsContact O-N 3.14Å |
| 1504 | F | 82.4 | Confident | 72.7 | Confident | 95 Ų | 95 | 55 Ų | 55 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.7 | 173.5 | -94.7 | 0 | 0 | 0 | 112.3 | Q1415 L1418 K1500 T1501 D1507 Y1508 | Q1415-F1504 HydrophobicContact CG-CD1 4.29Å; Q1415-F1504 HydrophobicContact CG-CE1 3.84Å; L1418-F1504 HydrophobicContact CD1-CE1 3.72Å; L1418-F1504 HydrophobicContact CD1-CZ 4.12Å; K1500-F1504 PolarHBondContact O-N 3.37Å; T1501-F1504 PolarHBondContact O-N 3.03Å; F1504-D1507 PolarHBondContact O-N 3.49Å; F1504-Y1508 PolarHBondContact O-N 3.25Å |
| 1505 | L | 82.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | -177.9 | -73.6 | 168.4 | 0 | 0 | 0 | 112.9 | F1406 V1435 T1501 L1502 T1503 Y1508 V1509 | F1406-L1505 HydrophobicContact CD1-CD1 3.93Å; F1406-L1505 HydrophobicContact CD1-CD2 4.12Å; F1406-L1505 HydrophobicContact CE1-CD1 3.75Å; F1406-L1505 HydrophobicContact CE1-CD2 3.35Å; F1406-L1505 HydrophobicContact CE1-CG 4.09Å; F1406-L1505 HydrophobicContact CE2-CD2 3.91Å; F1406-L1505 HydrophobicContact CZ-CD1 4.48Å; F1406-L1505 HydrophobicContact CZ-CD2 3.23Å; F1406-L1505 HydrophobicContact CZ-CG 4.4Å; V1435-L1505 HydrophobicContact CG2-CB 3.85Å; T1501-L1505 VanDerWaalsContact O-CG 3.31Å; T1501-L1505 WeakPolarHBondContact O-CG 3.33Å; T1501-L1505 PolarHBondContact O-N 3.42Å; L1502-L1505 PolarHBondContact O-N 2.97Å; T1503-L1505 VanDerWaalsContact C-N 3.34Å; T1503-L1505 PolarHBondContact O-N 3.46Å; L1505-Y1508 PolarHBondContact O-N 3.31Å; L1505-V1509 VanDerWaalsContact O-CG2 3.28Å; L1505-V1509 WeakPolarHBondContact O-CG2 3.35Å; L1505-V1509 PolarHBondContact O-N 3.28Å |
| 1506 | I | 87 | Confident | 76.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 179.2 | -165 | 62.2 | 0 | 0 | 0 | 111.4 | L1432 V1435 L1502 T1503 V1509 I1510 A1523 L1526 R1527 I1530 | L1432-I1506 HydrophobicContact CD1-CD1 4.18Å; V1435-I1506 HydrophobicContact CG1-CB 4.46Å; V1435-I1506 HydrophobicContact CG1-CD1 4.18Å; L1502-I1506 WeakPolarHBondContact O-CG2 3.43Å; L1502-I1506 PolarHBondContact O-N 3.34Å; T1503-I1506 VanDerWaalsContact O-CG2 3.31Å; T1503-I1506 WeakPolarHBondContact O-CG2 3.36Å; I1506-V1509 HydrophobicContact CD1-CB 4.48Å; I1506-V1509 PolarHBondContact O-N 3.31Å; I1506-I1510 HydrophobicContact CG1-CD1 4.16Å; I1506-I1510 WeakPolarHBondContact O-CG1 3.31Å; I1506-I1510 PolarHBondContact O-N 3.01Å; I1506-A1523 HydrophobicContact CD1-CB 4.32Å; I1506-L1526 HydrophobicContact CD1-CB 3.92Å; I1506-L1526 HydrophobicContact CD1-CD1 4.38Å; I1506-L1526 HydrophobicContact CG1-CB 4.33Å; I1506-R1527 HydrophobicContact CG1-CB 3.83Å; I1506-R1527 HydrophobicContact CG2-CB 4.03Å; I1506-R1527 HydrophobicContact CG2-CG 4.21Å; I1506-I1530 HydrophobicContact CB-CD1 3.89Å; I1506-I1530 HydrophobicContact CG1-CD1 4.24Å; I1506-I1530 HydrophobicContact CG2-CD1 3.89Å |
| 1507 | D | 87 | Confident | 78 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 174 | -73.6 | -25.7 | 0 | 0 | 0 | 110.9 | T1503 F1504 V1509 I1510 Q1511 R1527 | T1503-D1507 WeakPolarHBondContact O-CB 3.45Å; T1503-D1507 PolarHBondContact O-N 3.12Å; T1503-D1507 VanDerWaalsContact O-N 3.14Å; F1504-D1507 PolarHBondContact O-N 3.49Å; D1507-V1509 PolarHBondContact O-N 3.14Å; D1507-I1510 PolarHBondContact O-N 3.38Å; D1507-Q1511 WeakPolarHBondContact O-CB 3.43Å; D1507-Q1511 PolarHBondContact O-N 2.92Å; D1507-R1527 WeakPolarHBondContact OD1-CD 3.36Å; D1507-R1527 IonicContact OD1-NE 3.77Å; D1507-R1527 PolarHBondContact OD1-NE 2.83Å; D1507-R1527 VanDerWaalsContact OD1-NE 3.11Å |
| 1508 | Y | 85.7 | Confident | 79.4 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 173.2 | -177.8 | -90.9 | 0 | 0 | 0 | 112.2 | L1418 L1427 L1431 F1504 L1505 Q1511 H1512 | L1418-Y1508 HydrophobicContact CB-CE2 4.45Å; L1418-Y1508 HydrophobicContact CD1-CD2 4.44Å; L1418-Y1508 HydrophobicContact CD1-CE2 4.45Å; L1418-Y1508 HydrophobicContact CD2-CE1 4.02Å; L1418-Y1508 HydrophobicContact CD2-CE2 4.44Å; L1427-Y1508 HydrophobicContact CD2-CE1 4.04Å; L1427-Y1508 HydrophobicContact CG-CE1 4.5Å; L1431-Y1508 HydrophobicContact CD1-CD1 3.78Å; L1431-Y1508 HydrophobicContact CD1-CE1 3.9Å; F1504-Y1508 PolarHBondContact O-N 3.25Å; L1505-Y1508 PolarHBondContact O-N 3.31Å; Y1508-Q1511 PolarHBondContact O-N 3.11Å; Y1508-H1512 AromaticContact CD2-CD2 3.73Å; Y1508-H1512 AromaticContact CD2-NE2 3.96Å; Y1508-H1512 AromaticContact CE1-CD2 3.9Å; Y1508-H1512 AromaticContact CE2-CD2 3.45Å; Y1508-H1512 VanDerWaalsContact CE2-CD2 3.45Å; Y1508-H1512 WeakPolarHBondContact CE2-CD2 3.46Å; Y1508-H1512 AromaticContact CE2-NE2 3.51Å; Y1508-H1512 AromaticContact CZ-CD2 3.54Å; Y1508-H1512 AromaticContact CZ-NE2 3.93Å; Y1508-H1512 PolarHBondContact O-CD2 3.09Å; Y1508-H1512 VanDerWaalsContact O-CD2 3.31Å; Y1508-H1512 PolarHBondContact O-N 3.25Å |
| 1509 | V | 86.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 176.7 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | A1428 L1431 L1432 L1505 I1506 D1507 Q1511 H1512 L1513 A1523 | A1428-V1509 HydrophobicContact CB-CG1 4.47Å; L1431-V1509 HydrophobicContact CB-CG2 3.57Å; L1432-V1509 HydrophobicContact CB-CG1 3.98Å; L1432-V1509 HydrophobicContact CD1-CG1 4.1Å; L1505-V1509 VanDerWaalsContact O-CG2 3.28Å; L1505-V1509 WeakPolarHBondContact O-CG2 3.35Å; L1505-V1509 PolarHBondContact O-N 3.28Å; I1506-V1509 HydrophobicContact CD1-CB 4.48Å; I1506-V1509 PolarHBondContact O-N 3.31Å; D1507-V1509 PolarHBondContact O-N 3.14Å; V1509-Q1511 VanDerWaalsContact C-N 3.29Å; V1509-Q1511 PolarHBondContact O-N 2.97Å; V1509-H1512 PolarHBondContact O-N 3.26Å; V1509-L1513 HydrophobicContact CG1-CD1 4.27Å; V1509-L1513 VanDerWaalsContact O-CB 3.25Å; V1509-L1513 WeakPolarHBondContact O-CB 3.25Å; V1509-L1513 PolarHBondContact O-N 3.12Å; V1509-A1523 HydrophobicContact CG1-CB 4.31Å |
| 1510 | I | 86.2 | Confident | 81.4 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | -178.8 | -70.2 | 166 | 0 | 0 | 0 | 111.5 | I1506 D1507 H1512 A1523 R1527 | I1506-I1510 HydrophobicContact CG1-CD1 4.16Å; I1506-I1510 WeakPolarHBondContact O-CG1 3.31Å; I1506-I1510 PolarHBondContact O-N 3.01Å; D1507-I1510 PolarHBondContact O-N 3.38Å; I1510-H1512 VanDerWaalsContact C-N 3.29Å; I1510-H1512 PolarHBondContact O-N 3.3Å; I1510-A1523 HydrophobicContact CG1-CB 3.86Å; I1510-R1527 HydrophobicContact CD1-CB 3.71Å; I1510-R1527 HydrophobicContact CD1-CG 4.19Å |
| 1511 | Q | 86.9 | Confident | 82.1 | Confident | 145 Ų | 145 | 59.6 Ų | 59.6 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.3 | -33.8 | 178.3 | -176 | 177 | 3.5 | 0 | 0 | 112.9 | D1507 Y1508 V1509 | D1507-Q1511 WeakPolarHBondContact O-CB 3.43Å; D1507-Q1511 PolarHBondContact O-N 2.92Å; Y1508-Q1511 PolarHBondContact O-N 3.11Å; V1509-Q1511 VanDerWaalsContact C-N 3.29Å; V1509-Q1511 PolarHBondContact O-N 2.97Å |
| 1512 | H | 86.6 | Confident | 82.8 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -112.1 | -10.9 | -170.7 | -68.1 | -63 | 0 | 0 | 0 | 115 | P1424 S1425 A1428 Y1508 V1509 I1510 | P1424-H1512 HydrophobicContact CB-CB 3.98Å; P1424-H1512 HydrophobicContact CG-CB 4.43Å; S1425-H1512 WeakPolarHBondContact CA-O 3.39Å; A1428-H1512 HydrophobicContact CB-CB 4.03Å; Y1508-H1512 AromaticContact CD2-CD2 3.73Å; Y1508-H1512 AromaticContact CD2-NE2 3.96Å; Y1508-H1512 AromaticContact CE1-CD2 3.9Å; Y1508-H1512 AromaticContact CE2-CD2 3.45Å; Y1508-H1512 VanDerWaalsContact CE2-CD2 3.45Å; Y1508-H1512 WeakPolarHBondContact CE2-CD2 3.46Å; Y1508-H1512 AromaticContact CE2-NE2 3.51Å; Y1508-H1512 AromaticContact CZ-CD2 3.54Å; Y1508-H1512 AromaticContact CZ-NE2 3.93Å; Y1508-H1512 PolarHBondContact O-CD2 3.09Å; Y1508-H1512 VanDerWaalsContact O-CD2 3.31Å; Y1508-H1512 PolarHBondContact O-N 3.25Å; V1509-H1512 PolarHBondContact O-N 3.26Å; I1510-H1512 VanDerWaalsContact C-N 3.29Å; I1510-H1512 PolarHBondContact O-N 3.3Å |
| 1513 | L | 85.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69 | 130 | 174.4 | -154.6 | 89.3 | 0 | 0 | 0 | 109.5 | A1428 V1429 V1509 Q1515 A1517 Q1519 W1520 | A1428-L1513 HydrophobicContact CB-CD1 4.16Å; V1429-L1513 HydrophobicContact CG2-CD1 3.86Å; V1509-L1513 HydrophobicContact CG1-CD1 4.27Å; V1509-L1513 VanDerWaalsContact O-CB 3.25Å; V1509-L1513 WeakPolarHBondContact O-CB 3.25Å; V1509-L1513 PolarHBondContact O-N 3.12Å; L1513-Q1515 PolarHBondContact O-N 3.47Å; L1513-A1517 HydrophobicContact CD2-CB 4Å; L1513-A1517 HydrophobicContact CG-CB 4.14Å; L1513-Q1519 HydrophobicContact CD2-CB 4.09Å; L1513-W1520 VanDerWaalsContact CD2-CA 3.48Å; L1513-W1520 HydrophobicContact CD2-CB 3.9Å; L1513-W1520 HydrophobicContact CD2-CG 4.38Å |
| 1514 | P | 79.2 | Confident | 83.2 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | trans | -56.7 | 130.1 | 175.7 | -22.8 | 31.9 | 0 | 0 | 0 | 110.5 | Y1516 A1517 | P1514-Y1516 PolarHBondContact O-N 3.01Å; P1514-A1517 HydrophobicContact CB-CB 4.38Å; P1514-A1517 WeakPolarHBondContact O-CB 3.35Å; P1514-A1517 PolarHBondContact O-N 3.26Å | ||
| 1515 | Q | 74.9 | Confident | 83.4 | Confident | 154 Ų | 154 | 61.4 Ų | 61.4 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.4 | -178.1 | -70.4 | -179.7 | -10.7 | 0 | 0 | 113.4 | L1513 | L1513-Q1515 PolarHBondContact O-N 3.47Š|
| 1516 | Y | 74.7 | Confident | 83.5 | Confident | 224 Ų | 224 | 61.3 Ų | 61.3 | 88% | 0.878 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.6 | 176.6 | -51.9 | -75.6 | 0 | 0 | 0 | 113.9 | P1514 S1518 | P1514-Y1516 PolarHBondContact O-N 3.01Å; Y1516-S1518 PolarHBondContact O-N 3.14Å |
| 1517 | A | 76 | Confident | 83.5 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | trans | -68.6 | 131.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1513 P1514 Q1519 W1520 | L1513-A1517 HydrophobicContact CD2-CB 4Å; L1513-A1517 HydrophobicContact CG-CB 4.14Å; P1514-A1517 HydrophobicContact CB-CB 4.38Å; P1514-A1517 WeakPolarHBondContact O-CB 3.35Å; P1514-A1517 PolarHBondContact O-N 3.26Å; A1517-Q1519 PolarHBondContact O-N 3.4Å; A1517-W1520 WeakPolarHBondContact O-CB 3.45Å; A1517-W1520 PolarHBondContact O-N 2.87Å | ||
| 1518 | S | 80 | Confident | 83.5 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 76% | 0.762 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.7 | 175.4 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | Y1516 | Y1516-S1518 PolarHBondContact O-N 3.14Š|
| 1519 | Q | 83.1 | Confident | 83.4 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -10.6 | -179.9 | -65.3 | 167.7 | 5 | 0 | 0 | 113.6 | L1432 L1513 A1517 I1522 A1523 | L1432-Q1519 HydrophobicContact CD2-CB 3.65Å; L1432-Q1519 HydrophobicContact CD2-CG 4.26Å; L1513-Q1519 HydrophobicContact CD2-CB 4.09Å; A1517-Q1519 PolarHBondContact O-N 3.4Å; Q1519-I1522 WeakPolarHBondContact O-CB 3.48Å; Q1519-I1522 PolarHBondContact O-N 3.2Å; Q1519-I1522 VanDerWaalsContact O-N 3.11Å; Q1519-A1523 PolarHBondContact O-N 2.88Å; Q1519-A1523 VanDerWaalsContact O-N 3.1Å |
| 1520 | W | 82.1 | Confident | 83.3 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | -178 | -164.3 | 91.1 | 0 | 0 | 0 | 113.4 | L1513 A1517 I1522 A1523 E1524 | L1513-W1520 VanDerWaalsContact CD2-CA 3.48Å; L1513-W1520 HydrophobicContact CD2-CB 3.9Å; L1513-W1520 HydrophobicContact CD2-CG 4.38Å; A1517-W1520 WeakPolarHBondContact O-CB 3.45Å; A1517-W1520 PolarHBondContact O-N 2.87Å; W1520-I1522 VanDerWaalsContact C-N 3.25Å; W1520-I1522 PolarHBondContact O-N 3.3Å; W1520-A1523 PolarHBondContact O-N 3.06Å; W1520-A1523 VanDerWaalsContact O-N 3.16Å; W1520-E1524 WeakPolarHBondContact CZ3-OE2 3.47Å; W1520-E1524 PolarHBondContact O-N 3.37Å; W1520-E1524 VanDerWaalsContact O-N 3.14Å |
| 1521 | P | 84.3 | Confident | 83.2 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -34 | 174.5 | -21 | 33.2 | 0 | 0 | 0 | 112.9 | A1523 E1524 E1525 | P1521-A1523 VanDerWaalsContact C-N 3.34Å; P1521-E1524 PolarHBondContact O-N 3.29Å; P1521-E1525 PolarHBondContact O-N 2.97Å; P1521-E1525 VanDerWaalsContact O-N 3.12Å |
| 1522 | I | 85.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.3 | -56.9 | 175.5 | 0 | 0 | 0 | 110.2 | I1465 W1468 Q1519 W1520 L1526 | I1465-I1522 HydrophobicContact CD1-CB 4.36Å; I1465-I1522 HydrophobicContact CD1-CG2 3.99Å; I1465-I1522 HydrophobicContact CG1-CG2 4.39Å; W1468-I1522 HydrophobicContact CD2-CG2 4.1Å; W1468-I1522 HydrophobicContact CE3-CG2 3.91Å; W1468-I1522 HydrophobicContact CH2-CG2 3.99Å; W1468-I1522 HydrophobicContact CZ2-CG2 4.2Å; W1468-I1522 HydrophobicContact CZ3-CG2 3.86Å; Q1519-I1522 WeakPolarHBondContact O-CB 3.48Å; Q1519-I1522 PolarHBondContact O-N 3.2Å; Q1519-I1522 VanDerWaalsContact O-N 3.11Å; W1520-I1522 VanDerWaalsContact C-N 3.25Å; W1520-I1522 PolarHBondContact O-N 3.3Å; I1522-L1526 HydrophobicContact CG2-CD1 4.14Å; I1522-L1526 WeakPolarHBondContact O-CB 3.17Å; I1522-L1526 VanDerWaalsContact O-CG 3.27Å; I1522-L1526 WeakPolarHBondContact O-CG 3.37Å; I1522-L1526 PolarHBondContact O-N 3.08Å |
| 1523 | A | 85.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1432 I1506 V1509 I1510 Q1519 W1520 P1521 L1526 R1527 | L1432-A1523 HydrophobicContact CD1-CB 3.77Å; I1506-A1523 HydrophobicContact CD1-CB 4.32Å; V1509-A1523 HydrophobicContact CG1-CB 4.31Å; I1510-A1523 HydrophobicContact CG1-CB 3.86Å; Q1519-A1523 PolarHBondContact O-N 2.88Å; Q1519-A1523 VanDerWaalsContact O-N 3.1Å; W1520-A1523 PolarHBondContact O-N 3.06Å; W1520-A1523 VanDerWaalsContact O-N 3.16Å; P1521-A1523 VanDerWaalsContact C-N 3.34Å; A1523-L1526 PolarHBondContact O-N 3.12Å; A1523-R1527 PolarHBondContact O-N 3.46Å |
| 1524 | E | 85.7 | Confident | 82.1 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -49.9 | 177.9 | -169.8 | 175.7 | -156.9 | 0 | 0 | 111.6 | W1520 P1521 L1526 R1527 D1528 | W1520-E1524 WeakPolarHBondContact CZ3-OE2 3.47Å; W1520-E1524 PolarHBondContact O-N 3.37Å; W1520-E1524 VanDerWaalsContact O-N 3.14Å; P1521-E1524 PolarHBondContact O-N 3.29Å; E1524-L1526 VanDerWaalsContact C-N 3.31Å; E1524-L1526 PolarHBondContact O-N 3.13Å; E1524-R1527 WeakPolarHBondContact O-CB 3.24Å; E1524-R1527 PolarHBondContact O-N 3.24Å; E1524-R1527 VanDerWaalsContact O-N 3.12Å; E1524-D1528 PolarHBondContact O-N 3.37Å; E1524-D1528 VanDerWaalsContact O-N 3.16Å |
| 1525 | E | 85.7 | Confident | 82 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 175.9 | -74 | -175.6 | -157.9 | 0 | 0 | 111.8 | T1464 I1465 P1521 R1527 D1528 I1529 | T1464-E1525 PolarHBondContact OG1-OE1 3.06Å; T1464-E1525 PolarHBondContact OG1-OE2 3.49Å; I1465-E1525 HydrophobicContact CD1-CB 3.23Å; I1465-E1525 HydrophobicContact CD1-CG 3.96Å; I1465-E1525 WeakPolarHBondContact CD1-OE2 3.42Å; I1465-E1525 HydrophobicContact CG1-CB 4.48Å; I1465-E1525 WeakPolarHBondContact CG1-OE2 3.46Å; P1521-E1525 PolarHBondContact O-N 2.97Å; P1521-E1525 VanDerWaalsContact O-N 3.12Å; E1525-R1527 VanDerWaalsContact C-N 3.33Å; E1525-R1527 PolarHBondContact O-N 3.37Å; E1525-D1528 PolarHBondContact O-N 3.34Å; E1525-I1529 VanDerWaalsContact O-CG1 3.22Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.45Å; E1525-I1529 PolarHBondContact O-N 3.13Å |
| 1526 | L | 86.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 174 | -83.8 | 170.3 | 0 | 0 | 0 | 112.8 | L1432 V1439 W1468 L1469 I1506 I1522 A1523 E1524 I1529 I1530 | L1432-L1526 HydrophobicContact CD1-CD1 3.57Å; V1439-L1526 HydrophobicContact CG1-CD2 4.45Å; V1439-L1526 HydrophobicContact CG2-CD2 4.47Å; W1468-L1526 HydrophobicContact CH2-CD1 3.94Å; W1468-L1526 HydrophobicContact CZ3-CD1 3.73Å; W1468-L1526 HydrophobicContact CZ3-CD2 4.4Å; W1468-L1526 HydrophobicContact CZ3-CG 4.42Å; L1469-L1526 HydrophobicContact CD2-CD2 4.13Å; I1506-L1526 HydrophobicContact CD1-CB 3.92Å; I1506-L1526 HydrophobicContact CD1-CD1 4.38Å; I1506-L1526 HydrophobicContact CG1-CB 4.33Å; I1522-L1526 HydrophobicContact CG2-CD1 4.14Å; I1522-L1526 WeakPolarHBondContact O-CB 3.17Å; I1522-L1526 VanDerWaalsContact O-CG 3.27Å; I1522-L1526 WeakPolarHBondContact O-CG 3.37Å; I1522-L1526 PolarHBondContact O-N 3.08Å; A1523-L1526 PolarHBondContact O-N 3.12Å; E1524-L1526 VanDerWaalsContact C-N 3.31Å; E1524-L1526 PolarHBondContact O-N 3.13Å; L1526-I1529 PolarHBondContact O-N 2.93Å; L1526-I1530 WeakPolarHBondContact O-CB 3.48Å; L1526-I1530 WeakPolarHBondContact O-CD1 3.34Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.48Å; L1526-I1530 PolarHBondContact O-N 3.45Å |
| 1527 | R | 85.9 | Confident | 81.7 | Confident | 85 Ų | 85 | 49 Ų | 49 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.4 | 172.3 | 172.9 | 168.6 | -99.9 | -1.1 | 110.9 | I1506 D1507 I1510 A1523 E1524 E1525 I1530 Q1531 | I1506-R1527 HydrophobicContact CG1-CB 3.83Å; I1506-R1527 HydrophobicContact CG2-CB 4.03Å; I1506-R1527 HydrophobicContact CG2-CG 4.21Å; D1507-R1527 WeakPolarHBondContact OD1-CD 3.36Å; D1507-R1527 IonicContact OD1-NE 3.77Å; D1507-R1527 PolarHBondContact OD1-NE 2.83Å; D1507-R1527 VanDerWaalsContact OD1-NE 3.11Å; I1510-R1527 HydrophobicContact CD1-CB 3.71Å; I1510-R1527 HydrophobicContact CD1-CG 4.19Å; A1523-R1527 PolarHBondContact O-N 3.46Å; E1524-R1527 WeakPolarHBondContact O-CB 3.24Å; E1524-R1527 PolarHBondContact O-N 3.24Å; E1524-R1527 VanDerWaalsContact O-N 3.12Å; E1525-R1527 VanDerWaalsContact C-N 3.33Å; E1525-R1527 PolarHBondContact O-N 3.37Å; R1527-I1530 PolarHBondContact O-N 3.12Å; R1527-Q1531 WeakPolarHBondContact O-CG 3.16Å; R1527-Q1531 PolarHBondContact O-N 3.45Å |
| 1528 | D | 86.5 | Confident | 81.4 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.7 | -67.3 | -13.6 | 0 | 0 | 0 | 111.4 | E1524 E1525 Q1531 A1532 | E1524-D1528 PolarHBondContact O-N 3.37Å; E1524-D1528 VanDerWaalsContact O-N 3.16Å; E1525-D1528 PolarHBondContact O-N 3.34Å; D1528-Q1531 PolarHBondContact O-N 3.16Å; D1528-A1532 WeakPolarHBondContact O-CB 2.97Å; D1528-A1532 PolarHBondContact O-N 3.1Å |
| 1529 | I | 84.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 173.7 | -66.9 | 163.7 | 0 | 0 | 0 | 110.4 | V1439 E1525 L1526 Q1531 A1532 I1533 | V1439-I1529 HydrophobicContact CG1-CG2 4.18Å; E1525-I1529 VanDerWaalsContact O-CG1 3.22Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.45Å; E1525-I1529 PolarHBondContact O-N 3.13Å; L1526-I1529 PolarHBondContact O-N 2.93Å; I1529-Q1531 VanDerWaalsContact C-N 3.34Å; I1529-Q1531 PolarHBondContact O-N 2.82Å; I1529-A1532 PolarHBondContact O-N 2.82Å; I1529-I1533 HydrophobicContact CG2-CD1 3.74Å; I1529-I1533 HydrophobicContact CG2-CG1 4.31Å; I1529-I1533 VanDerWaalsContact O-CG1 3.23Å; I1529-I1533 WeakPolarHBondContact O-CG1 3.25Å; I1529-I1533 PolarHBondContact O-N 3.16Å |
| 1530 | I | 83.5 | Confident | 80.2 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | -178.7 | -69.9 | 162.2 | 0 | 0 | 0 | 110.6 | V1435 V1439 L1502 I1506 L1526 R1527 A1532 I1533 V1534 | V1435-I1530 HydrophobicContact CG1-CD1 3.61Å; V1439-I1530 HydrophobicContact CG2-CD1 4.18Å; V1439-I1530 HydrophobicContact CG2-CG1 3.91Å; L1502-I1530 HydrophobicContact CB-CD1 4.3Å; L1502-I1530 HydrophobicContact CB-CG2 4.03Å; I1506-I1530 HydrophobicContact CB-CD1 3.89Å; I1506-I1530 HydrophobicContact CG1-CD1 4.24Å; I1506-I1530 HydrophobicContact CG2-CD1 3.89Å; L1526-I1530 WeakPolarHBondContact O-CB 3.48Å; L1526-I1530 WeakPolarHBondContact O-CD1 3.34Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.48Å; L1526-I1530 PolarHBondContact O-N 3.45Å; R1527-I1530 PolarHBondContact O-N 3.12Å; I1530-A1532 VanDerWaalsContact C-N 3.35Å; I1530-A1532 PolarHBondContact O-N 3.36Å; I1530-I1533 PolarHBondContact O-N 3.42Å; I1530-V1534 HydrophobicContact CG2-CG2 4.36Å; I1530-V1534 VanDerWaalsContact O-CG2 3.29Å; I1530-V1534 WeakPolarHBondContact O-CG2 3.33Å; I1530-V1534 PolarHBondContact O-N 3.19Å |
| 1531 | Q | 84.3 | Confident | 80.1 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.7 | -73.3 | -179.8 | 6.4 | 0 | 0 | 112.3 | R1527 D1528 I1529 V1534 Q1535 | R1527-Q1531 WeakPolarHBondContact O-CG 3.16Å; R1527-Q1531 PolarHBondContact O-N 3.45Å; D1528-Q1531 PolarHBondContact O-N 3.16Å; I1529-Q1531 VanDerWaalsContact C-N 3.34Å; I1529-Q1531 PolarHBondContact O-N 2.82Å; Q1531-V1534 PolarHBondContact O-N 2.91Å; Q1531-Q1535 WeakPolarHBondContact O-CG 3.47Å; Q1531-Q1535 PolarHBondContact O-N 2.89Å |
| 1532 | A | 81.1 | Confident | 79.9 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1460 D1528 I1529 I1530 Q1535 L1536 | F1460-A1532 HydrophobicContact CB-CB 4.31Å; F1460-A1532 HydrophobicContact CD1-CB 3.7Å; F1460-A1532 HydrophobicContact CE1-CB 4.26Å; F1460-A1532 HydrophobicContact CG-CB 4.04Å; D1528-A1532 WeakPolarHBondContact O-CB 2.97Å; D1528-A1532 PolarHBondContact O-N 3.1Å; I1529-A1532 PolarHBondContact O-N 2.82Å; I1530-A1532 VanDerWaalsContact C-N 3.35Å; I1530-A1532 PolarHBondContact O-N 3.36Å; A1532-Q1535 PolarHBondContact O-N 3.19Å; A1532-L1536 WeakPolarHBondContact O-CB 3.2Å; A1532-L1536 PolarHBondContact O-N 3.39Å |
| 1533 | I | 78.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.6 | -65.5 | 173.4 | 0 | 0 | 0 | 110.8 | V1439 L1457 V1499 I1529 I1530 Q1535 L1536 D1537 | V1439-I1533 HydrophobicContact CG1-CD1 4.47Å; L1457-I1533 HydrophobicContact CD2-CB 4.2Å; L1457-I1533 HydrophobicContact CD2-CD1 4.4Å; L1457-I1533 HydrophobicContact CD2-CG1 3.77Å; L1457-I1533 HydrophobicContact CD2-CG2 3.8Å; V1499-I1533 HydrophobicContact CG1-CG2 4.08Å; I1529-I1533 HydrophobicContact CG2-CD1 3.74Å; I1529-I1533 HydrophobicContact CG2-CG1 4.31Å; I1529-I1533 VanDerWaalsContact O-CG1 3.23Å; I1529-I1533 WeakPolarHBondContact O-CG1 3.25Å; I1529-I1533 PolarHBondContact O-N 3.16Å; I1530-I1533 PolarHBondContact O-N 3.42Å; I1533-Q1535 VanDerWaalsContact C-N 3.35Å; I1533-Q1535 PolarHBondContact O-N 2.95Å; I1533-L1536 PolarHBondContact O-N 3.1Å; I1533-D1537 PolarHBondContact O-N 3.11Å |
| 1534 | V | 77.1 | Confident | 79.2 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 176 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | V1499 I1530 Q1531 L1536 D1537 T1538 | V1499-V1534 HydrophobicContact CB-CG2 4.03Å; V1499-V1534 HydrophobicContact CG1-CB 4.28Å; V1499-V1534 HydrophobicContact CG1-CG2 3.28Å; I1530-V1534 HydrophobicContact CG2-CG2 4.36Å; I1530-V1534 VanDerWaalsContact O-CG2 3.29Å; I1530-V1534 WeakPolarHBondContact O-CG2 3.33Å; I1530-V1534 PolarHBondContact O-N 3.19Å; Q1531-V1534 PolarHBondContact O-N 2.91Å; V1534-L1536 VanDerWaalsContact C-N 3.29Å; V1534-L1536 PolarHBondContact O-N 3.3Å; V1534-D1537 PolarHBondContact O-N 3.14Å; V1534-T1538 HydrophobicContact CG1-CG2 4.37Å; V1534-T1538 WeakPolarHBondContact O-CG2 3.4Å; V1534-T1538 PolarHBondContact O-N 2.97Å; V1534-T1538 PolarHBondContact O-OG1 3.03Å; V1534-T1538 VanDerWaalsContact O-OG1 3.12Å |
| 1535 | Q | 77.8 | Confident | 78.8 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.6 | -43.9 | 177.8 | -75.9 | 176.9 | -1.9 | 0 | 0 | 111.4 | Q1531 A1532 I1533 T1538 E1539 | Q1531-Q1535 WeakPolarHBondContact O-CG 3.47Å; Q1531-Q1535 PolarHBondContact O-N 2.89Å; A1532-Q1535 PolarHBondContact O-N 3.19Å; I1533-Q1535 VanDerWaalsContact C-N 3.35Å; I1533-Q1535 PolarHBondContact O-N 2.95Å; Q1535-T1538 WeakPolarHBondContact CA-OG1 3.14Å; Q1535-T1538 PolarHBondContact O-N 2.83Å; Q1535-T1538 PolarHBondContact O-OG1 3.27Å; Q1535-E1539 WeakPolarHBondContact O-CG 3.17Å; Q1535-E1539 PolarHBondContact O-N 3.47Å |
| 1536 | L | 73.4 | Confident | 78.3 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -30.7 | -179.7 | -157.1 | 148.2 | 0 | 0 | 0 | 113.8 | F1460 A1532 I1533 V1534 | F1460-L1536 HydrophobicContact CD2-CD1 4.28Å; F1460-L1536 HydrophobicContact CE2-CD1 3.18Å; F1460-L1536 HydrophobicContact CZ-CD1 3.48Å; F1460-L1536 VanDerWaalsContact CZ-CD1 3.48Å; A1532-L1536 WeakPolarHBondContact O-CB 3.2Å; A1532-L1536 PolarHBondContact O-N 3.39Å; I1533-L1536 PolarHBondContact O-N 3.1Å; V1534-L1536 VanDerWaalsContact C-N 3.29Å; V1534-L1536 PolarHBondContact O-N 3.3Å |
| 1537 | D | 69.8 | Low | 77.7 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -79.8 | -20.4 | 173.6 | -80.2 | -22.4 | 0 | 0 | 0 | 112.3 | R1442 V1499 I1533 V1534 | R1442-D1537 IonicContact CZ-OD2 2.72Å; R1442-D1537 IonicContact NE-OD2 3.63Å; R1442-D1537 IonicContact NH2-OD1 3.9Å; R1442-D1537 IonicContact NH2-OD2 3.71Å; R1442-D1537 PolarHBondContact NH2-OD2 3.43Å; V1499-D1537 WeakPolarHBondContact CG2-OD2 3.3Å; I1533-D1537 PolarHBondContact O-N 3.11Å; V1534-D1537 PolarHBondContact O-N 3.14Å |
| 1538 | T | 68.9 | Low | 77 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 70% | 0.699 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -84.3 | -25.8 | 172 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | V1534 Q1535 | V1534-T1538 HydrophobicContact CG1-CG2 4.37Å; V1534-T1538 WeakPolarHBondContact O-CG2 3.4Å; V1534-T1538 PolarHBondContact O-N 2.97Å; V1534-T1538 PolarHBondContact O-OG1 3.03Å; V1534-T1538 VanDerWaalsContact O-OG1 3.12Å; Q1535-T1538 WeakPolarHBondContact CA-OG1 3.14Å; Q1535-T1538 PolarHBondContact O-N 2.83Å; Q1535-T1538 PolarHBondContact O-OG1 3.27Å |
| 1539 | E | 59.2 | Low | 76.1 | Confident | 213 Ų | 213 | 61.5 Ų | 61.5 | 100% | 0.995 | 32% | 0.32 | S | S | * | . | trans | -78.1 | 0 | 170.8 | -74.5 | -177.3 | 178.1 | 0 | 0 | 112 | Q1535 | Q1535-E1539 WeakPolarHBondContact O-CG 3.17Å; Q1535-E1539 PolarHBondContact O-N 3.47Å |
Retrieved 1,539 of 1,539 residues in 471.9 ms
(Link to these results)