| 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 | 85.1 | Confident | 92 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 67% | 0.67 | 32% | 0.324 | S | S | * | . | 0 | 131.7 | 0 | -175.6 | 179.3 | -72.3 | 0 | 0 | 108.6 | K8 V9 N10 | M1-K8 HydrophobicContact CG-CB 4.14Å; M1-K8 HydrophobicContact SD-CB 4.1Å; M1-K8 HydrophobicContact SD-CD 3.79Å; M1-K8 HydrophobicContact SD-CG 4.18Å; M1-V9 WeakPolarHBondContact CA-O 3.43Å; M1-N10 VanDerWaalsContact CB-OD1 3.28Å; M1-N10 WeakPolarHBondContact CB-OD1 3.26Å; M1-N10 WeakPolarHBondContact CE-OD1 3.41Å; M1-N10 WeakPolarHBondContact CG-OD1 3.21Å | |||
| 2 | Y | 91 | Very high | 91.8 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.8 | -176.2 | -65.3 | -87.9 | 0 | 0 | 0 | 110.1 | V9 M11 Q14 P15 | Y2-V9 PolarHBondContact N-O 3.39Å; Y2-V9 PolarHBondContact O-N 3.09Å; Y2-M11 HydrophobicContact CD2-CB 4.31Å; Y2-M11 HydrophobicContact CD2-CG 4.43Å; Y2-M11 HydrophobicContact CE2-CB 4.34Å; Y2-Q14 WeakPolarHBondContact OH-CA 3.05Å; Y2-P15 HydrophobicContact CD1-CG 4.33Å; Y2-P15 HydrophobicContact CD2-CG 3.95Å; Y2-P15 HydrophobicContact CE1-CG 4.19Å; Y2-P15 HydrophobicContact CE2-CG 3.82Å; Y2-P15 HydrophobicContact CG-CG 4.24Å; Y2-P15 WeakPolarHBondContact OH-CD 3.17Å |
| 3 | T | 92.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 61.5 Ų | 61.5 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.4 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 109.3 | I7 | T3-I7 WeakPolarHBondContact CA-O 3.48Å |
| 4 | V | 91.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.6 | 179 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | G6 I7 V9 L20 M23 N24 L27 | V4-G6 PolarHBondContact O-N 3.44Å; V4-G6 VanDerWaalsContact O-N 3.14Å; V4-I7 PolarHBondContact N-O 3.22Å; V4-I7 PolarHBondContact O-N 3.15Å; V4-V9 HydrophobicContact CB-CG2 4.37Å; V4-V9 HydrophobicContact CG2-CG2 4.45Å; V4-L20 HydrophobicContact CG2-CD2 4.29Å; V4-M23 HydrophobicContact CG1-CB 4.47Å; V4-N24 VanDerWaalsContact CG1-CA 3.49Å; V4-N24 HydrophobicContact CG1-CB 3.81Å; V4-L27 HydrophobicContact CB-CD1 3.77Å; V4-L27 HydrophobicContact CG1-CD1 3.85Å; V4-L27 WeakPolarHBondContact O-CD1 3.28Å |
| 5 | Q | 90.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 64.2 Ų | 64.2 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.7 | -175.1 | -71.2 | -72.3 | -16 | 0 | 0 | 111.7 | I7 N24 L27 K31 | Q5-I7 PolarHBondContact O-N 3Å; Q5-I7 VanDerWaalsContact O-N 3.11Å; Q5-N24 PolarHBondContact NE2-ND2 2.96Å; Q5-L27 HydrophobicContact CB-CB 3.91Å; Q5-L27 HydrophobicContact CB-CD1 4.25Å; Q5-L27 HydrophobicContact CG-CB 3.95Å; Q5-K31 WeakPolarHBondContact O-CE 3.3Å; Q5-K31 PolarHBondContact O-NZ 3.05Å |
| 6 | G | 91.2 | Very high | 91.5 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 7.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V4 | V4-G6 PolarHBondContact O-N 3.44Å; V4-G6 VanDerWaalsContact O-N 3.14Å |
| 7 | I | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.3 | 176.3 | -65.9 | 167.7 | 0 | 0 | 0 | 108.4 | T3 V4 Q5 V9 L27 A56 W57 | T3-I7 WeakPolarHBondContact CA-O 3.48Å; V4-I7 PolarHBondContact N-O 3.22Å; V4-I7 PolarHBondContact O-N 3.15Å; Q5-I7 PolarHBondContact O-N 3Å; Q5-I7 VanDerWaalsContact O-N 3.11Å; I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.36Å; I7-L27 HydrophobicContact CB-CD1 4.31Å; I7-L27 HydrophobicContact CD1-CD2 3.91Å; I7-A56 HydrophobicContact CG2-CB 3.91Å; I7-W57 HydrophobicContact CD1-CB 4.48Å |
| 8 | K | 94 | Very high | 91.4 | Very high | 141 Ų | 141 | 63.3 Ų | 63.3 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.8 | 175.5 | -68.8 | 176.5 | 176.2 | -177 | 0 | 109.1 | M1 | M1-K8 HydrophobicContact CG-CB 4.14Å; M1-K8 HydrophobicContact SD-CB 4.1Å; M1-K8 HydrophobicContact SD-CD 3.79Å; M1-K8 HydrophobicContact SD-CG 4.18Å |
| 9 | V | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.3 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | M1 Y2 V4 I7 M11 M23 L27 C52 A56 | M1-V9 WeakPolarHBondContact CA-O 3.43Å; Y2-V9 PolarHBondContact N-O 3.39Å; Y2-V9 PolarHBondContact O-N 3.09Å; V4-V9 HydrophobicContact CB-CG2 4.37Å; V4-V9 HydrophobicContact CG2-CG2 4.45Å; I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.36Å; V9-M11 HydrophobicContact CG1-CG 4.47Å; V9-M23 HydrophobicContact CB-SD 4.44Å; V9-M23 HydrophobicContact CG1-SD 3.7Å; V9-L27 HydrophobicContact CG2-CD1 3.95Å; V9-C52 HydrophobicContact CG1-CB 3.91Å; V9-A56 HydrophobicContact CB-CB 4.19Å; V9-A56 HydrophobicContact CG1-CB 4.12Å; V9-A56 HydrophobicContact CG2-CB 3.81Å |
| 10 | N | 93.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -85.5 | 114.5 | 171.9 | -69.8 | -26.4 | 0 | 0 | 0 | 110 | M1 C168 Y169 | M1-N10 VanDerWaalsContact CB-OD1 3.28Å; M1-N10 WeakPolarHBondContact CB-OD1 3.26Å; M1-N10 WeakPolarHBondContact CE-OD1 3.41Å; M1-N10 WeakPolarHBondContact CG-OD1 3.21Å; N10-C168 HydrophobicContact CB-CB 3.72Å; N10-Y169 HydrophobicContact CB-CE2 4.39Å; N10-Y169 PolarHBondContact N-OH 2.73Å; N10-Y169 VanDerWaalsContact O-CE2 3.32Å; N10-Y169 WeakPolarHBondContact O-CE2 3.25Å | ||
| 11 | M | 93.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | trans | -107.8 | 139.1 | 170 | -70 | -67.3 | -70.3 | 0 | 0 | 108.2 | Y2 V9 F13 P15 M23 L48 C52 | Y2-M11 HydrophobicContact CD2-CB 4.31Å; Y2-M11 HydrophobicContact CD2-CG 4.43Å; Y2-M11 HydrophobicContact CE2-CB 4.34Å; V9-M11 HydrophobicContact CG1-CG 4.47Å; M11-F13 WeakPolarHBondContact CB-O 3.29Å; M11-F13 HydrophobicContact CE-CE2 4.39Å; M11-F13 HydrophobicContact CE-CZ 4.44Å; M11-F13 PolarHBondContact O-N 3.39Å; M11-P15 HydrophobicContact CE-CB 4.23Å; M11-P15 HydrophobicContact CG-CB 4.29Å; M11-P15 HydrophobicContact CG-CG 4.45Å; M11-M23 HydrophobicContact CG-CE 4.09Å; M11-M23 HydrophobicContact CG-SD 4.07Å; M11-M23 HydrophobicContact SD-CE 4.3Å; M11-M23 HydrophobicContact SD-SD 3.73Å; M11-L48 HydrophobicContact CE-CD2 4.28Å; M11-L48 HydrophobicContact CE-CG 4.33Å; M11-C52 HydrophobicContact SD-CB 3.53Å; M11-C52 VanDerWaalsContact SD-CB 3.53Å; M11-C52 VanDerWaalsContact SD-SG 3.62Å | ||
| 12 | P | 89.8 | Confident | 92.4 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.1 | -13.3 | -179.7 | 27.4 | -34.2 | 0 | 0 | 0 | 113.4 | L48 K166 | P12-L48 HydrophobicContact CG-CD2 3.96Å; P12-K166 VanDerWaalsContact CB-O 3.28Å; P12-K166 WeakPolarHBondContact CB-O 3.48Å; P12-K166 WeakPolarHBondContact CG-O 3.43Å |
| 13 | F | 89.4 | Confident | 92.7 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -145.5 | 173.8 | 176.8 | 53.1 | -100.6 | 0 | 0 | 0 | 110.2 | M11 P15 L48 | M11-F13 WeakPolarHBondContact CB-O 3.29Å; M11-F13 HydrophobicContact CE-CE2 4.39Å; M11-F13 HydrophobicContact CE-CZ 4.44Å; M11-F13 PolarHBondContact O-N 3.39Å; F13-P15 VanDerWaalsContact O-CD 3.31Å; F13-P15 WeakPolarHBondContact O-CD 3.48Å; F13-L48 HydrophobicContact CD1-CD2 4.43Å; F13-L48 HydrophobicContact CE1-CD2 3.33Å; F13-L48 HydrophobicContact CZ-CD2 3.52Å |
| 14 | Q | 90.3 | Very high | 93 | Very high | 156 Ų | 156 | 46.6 Ų | 46.6 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | trans | -65.5 | 114.2 | 174.3 | -178.1 | 175.9 | 7.1 | 0 | 0 | 110.6 | Y2 | Y2-Q14 WeakPolarHBondContact OH-CA 3.05Š| ||
| 15 | P | 91.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | trans | -68.3 | 145.3 | -175 | 29.4 | -34.5 | 0 | 0 | 0 | 110.8 | Y2 M11 F13 Q19 L20 M23 | Y2-P15 HydrophobicContact CD1-CG 4.33Å; Y2-P15 HydrophobicContact CD2-CG 3.95Å; Y2-P15 HydrophobicContact CE1-CG 4.19Å; Y2-P15 HydrophobicContact CE2-CG 3.82Å; Y2-P15 HydrophobicContact CG-CG 4.24Å; Y2-P15 WeakPolarHBondContact OH-CD 3.17Å; M11-P15 HydrophobicContact CE-CB 4.23Å; M11-P15 HydrophobicContact CG-CB 4.29Å; M11-P15 HydrophobicContact CG-CG 4.45Å; F13-P15 VanDerWaalsContact O-CD 3.31Å; F13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-Q19 HydrophobicContact CB-CB 4.12Å; P15-L20 HydrophobicContact CB-CD2 4.3Å; P15-L20 HydrophobicContact CB-CG 4.1Å; P15-L20 HydrophobicContact CG-CD1 4.24Å; P15-L20 HydrophobicContact CG-CD2 3.62Å; P15-L20 HydrophobicContact CG-CG 3.76Å; P15-M23 HydrophobicContact CB-CE 3.99Å; P15-M23 HydrophobicContact CG-CE 4.27Å | ||
| 16 | Y | 91.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | trans | -65.5 | 155.4 | 170.7 | -57.6 | -55.5 | 0 | 0 | 0 | 111.1 | S18 Q19 L20 V557 R762 | Y16-S18 PolarHBondContact O-N 3.29Å; Y16-Q19 HydrophobicContact CD2-CG 4.17Å; Y16-Q19 WeakPolarHBondContact O-CA 3.38Å; Y16-Q19 WeakPolarHBondContact O-CB 3.42Å; Y16-Q19 PolarHBondContact O-N 3.07Å; Y16-L20 PolarHBondContact O-N 3.42Å; Y16-V557 HydrophobicContact CD1-CG1 4.38Å; Y16-V557 HydrophobicContact CD2-CB 4.45Å; Y16-V557 HydrophobicContact CD2-CG1 3.71Å; Y16-V557 HydrophobicContact CE2-CG1 4.38Å; Y16-V557 HydrophobicContact CG-CB 4.34Å; Y16-V557 HydrophobicContact CG-CG1 3.72Å; Y16-R762 HydrophobicContact CE1-CB 4.35Å; Y16-R762 WeakPolarHBondContact OH-CD 3.44Å | ||
| 17 | P | 90.7 | Very high | 94 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 71% | 0.714 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -53.7 | -37.7 | 173.4 | -27.6 | 35.5 | 0 | 0 | 0 | 113.2 | L20 A21 | P17-L20 PolarHBondContact O-N 3.23Å; P17-A21 WeakPolarHBondContact O-CB 3.47Å; P17-A21 PolarHBondContact O-N 3.08Å |
| 18 | S | 91.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | Y16 A21 M22 V557 | Y16-S18 PolarHBondContact O-N 3.29Å; S18-A21 PolarHBondContact O-N 3.4Å; S18-M22 VanDerWaalsContact O-CG 3.28Å; S18-M22 WeakPolarHBondContact O-CG 3.22Å; S18-M22 PolarHBondContact O-N 3.22Å; S18-V557 WeakPolarHBondContact OG-CG1 3.48Å |
| 19 | Q | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 176 | -66.4 | 178.4 | -51.4 | 0 | 0 | 111.4 | P15 Y16 A21 M22 M23 S44 G45 A49 | P15-Q19 HydrophobicContact CB-CB 4.12Å; Y16-Q19 HydrophobicContact CD2-CG 4.17Å; Y16-Q19 WeakPolarHBondContact O-CA 3.38Å; Y16-Q19 WeakPolarHBondContact O-CB 3.42Å; Y16-Q19 PolarHBondContact O-N 3.07Å; Q19-A21 VanDerWaalsContact C-N 3.34Å; Q19-A21 PolarHBondContact O-N 3.48Å; Q19-M22 WeakPolarHBondContact O-CB 3.48Å; Q19-M22 PolarHBondContact O-N 3.4Å; Q19-M23 VanDerWaalsContact O-CG 3.27Å; Q19-M23 WeakPolarHBondContact O-CG 3.41Å; Q19-M23 PolarHBondContact O-N 3.33Å; Q19-S44 WeakPolarHBondContact CG-O 3.18Å; Q19-S44 PolarHBondContact NE2-O 2.86Å; Q19-G45 PolarHBondContact NE2-O 3.13Å; Q19-A49 HydrophobicContact CB-CB 3.95Å; Q19-A49 HydrophobicContact CG-CB 3.99Å |
| 20 | L | 94.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 174.5 | -74.3 | 169.5 | 0 | 0 | 0 | 111.7 | V4 P15 Y16 P17 M23 N24 | V4-L20 HydrophobicContact CG2-CD2 4.29Å; P15-L20 HydrophobicContact CB-CD2 4.3Å; P15-L20 HydrophobicContact CB-CG 4.1Å; P15-L20 HydrophobicContact CG-CD1 4.24Å; P15-L20 HydrophobicContact CG-CD2 3.62Å; P15-L20 HydrophobicContact CG-CG 3.76Å; Y16-L20 PolarHBondContact O-N 3.42Å; P17-L20 PolarHBondContact O-N 3.23Å; L20-M23 HydrophobicContact CD2-CE 3.78Å; L20-M23 HydrophobicContact CG-CE 4.36Å; L20-M23 PolarHBondContact O-N 3.48Å; L20-N24 WeakPolarHBondContact O-CB 3.43Å; L20-N24 PolarHBondContact O-N 3.25Å |
| 21 | A | 94.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P17 S18 Q19 N24 K25 L552 | P17-A21 WeakPolarHBondContact O-CB 3.47Å; P17-A21 PolarHBondContact O-N 3.08Å; S18-A21 PolarHBondContact O-N 3.4Å; Q19-A21 VanDerWaalsContact C-N 3.34Å; Q19-A21 PolarHBondContact O-N 3.48Å; A21-N24 WeakPolarHBondContact O-CB 3.49Å; A21-N24 PolarHBondContact O-N 3.29Å; A21-K25 PolarHBondContact O-N 2.85Å; A21-K25 VanDerWaalsContact O-N 3.12Å; A21-L552 HydrophobicContact CB-CD1 4.11Å; A21-L552 HydrophobicContact CB-CD2 4.08Å |
| 22 | M | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -52.6 | 174.8 | -74.8 | 177.7 | 54.3 | 0 | 0 | 111.6 | S18 Q19 N24 K25 V26 I38 S40 K46 A49 L50 L552 | S18-M22 VanDerWaalsContact O-CG 3.28Å; S18-M22 WeakPolarHBondContact O-CG 3.22Å; S18-M22 PolarHBondContact O-N 3.22Å; Q19-M22 WeakPolarHBondContact O-CB 3.48Å; Q19-M22 PolarHBondContact O-N 3.4Å; M22-N24 PolarHBondContact O-N 3.38Å; M22-K25 PolarHBondContact O-N 3.23Å; M22-K25 VanDerWaalsContact O-N 3.12Å; M22-V26 WeakPolarHBondContact O-CG2 3.29Å; M22-V26 PolarHBondContact O-N 3.17Å; M22-I38 HydrophobicContact CE-CG2 4.07Å; M22-I38 HydrophobicContact CG-CG2 3.79Å; M22-I38 HydrophobicContact SD-CG2 4.22Å; M22-S40 VanDerWaalsContact SD-CB 3.58Å; M22-S40 PolarHBondContact SD-OG 3.33Å; M22-K46 HydrophobicContact CE-CB 4.17Å; M22-K46 HydrophobicContact CE-CG 3.56Å; M22-K46 WeakPolarHBondContact CE-O 3.29Å; M22-K46 HydrophobicContact SD-CG 4.22Å; M22-A49 HydrophobicContact CE-CB 4.11Å; M22-L50 HydrophobicContact CE-CD2 3.94Å; M22-L50 HydrophobicContact CE-CG 3.83Å; M22-L552 VanDerWaalsContact CA-CD2 3.42Å; M22-L552 HydrophobicContact CB-CD2 4.07Å; M22-L552 HydrophobicContact CG-CD2 3.56Å |
| 23 | M | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -40 | 179.4 | -66.9 | -172.4 | -69.8 | 0 | 0 | 111 | V4 V9 M11 P15 Q19 L20 K25 V26 L27 A49 A53 | V4-M23 HydrophobicContact CG1-CB 4.47Å; V9-M23 HydrophobicContact CB-SD 4.44Å; V9-M23 HydrophobicContact CG1-SD 3.7Å; M11-M23 HydrophobicContact CG-CE 4.09Å; M11-M23 HydrophobicContact CG-SD 4.07Å; M11-M23 HydrophobicContact SD-CE 4.3Å; M11-M23 HydrophobicContact SD-SD 3.73Å; P15-M23 HydrophobicContact CB-CE 3.99Å; P15-M23 HydrophobicContact CG-CE 4.27Å; Q19-M23 VanDerWaalsContact O-CG 3.27Å; Q19-M23 WeakPolarHBondContact O-CG 3.41Å; Q19-M23 PolarHBondContact O-N 3.33Å; L20-M23 HydrophobicContact CD2-CE 3.78Å; L20-M23 HydrophobicContact CG-CE 4.36Å; L20-M23 PolarHBondContact O-N 3.48Å; M23-K25 PolarHBondContact O-N 3.02Å; M23-V26 PolarHBondContact O-N 3.37Å; M23-L27 WeakPolarHBondContact O-CB 3.4Å; M23-L27 WeakPolarHBondContact O-CG 3.35Å; M23-L27 PolarHBondContact O-N 3.32Å; M23-A49 HydrophobicContact CG-CB 4.2Å; M23-A53 HydrophobicContact CB-CB 4.11Å; M23-A53 HydrophobicContact CG-CB 3.98Å |
| 24 | N | 97.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 175.6 | -176.3 | -84 | 0 | 0 | 0 | 112.1 | V4 Q5 L20 A21 M22 L27 E28 | V4-N24 VanDerWaalsContact CG1-CA 3.49Å; V4-N24 HydrophobicContact CG1-CB 3.81Å; Q5-N24 PolarHBondContact NE2-ND2 2.96Å; L20-N24 WeakPolarHBondContact O-CB 3.43Å; L20-N24 PolarHBondContact O-N 3.25Å; A21-N24 WeakPolarHBondContact O-CB 3.49Å; A21-N24 PolarHBondContact O-N 3.29Å; M22-N24 PolarHBondContact O-N 3.38Å; N24-L27 PolarHBondContact O-N 3.1Å; N24-E28 WeakPolarHBondContact O-CB 3.45Å; N24-E28 PolarHBondContact O-N 2.76Å |
| 25 | K | 97.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.1 | -37.7 | -179.5 | -67 | -47.4 | -169 | 175.4 | 0 | 113.8 | A21 M22 M23 E28 A29 I550 L552 | A21-K25 PolarHBondContact O-N 2.85Å; A21-K25 VanDerWaalsContact O-N 3.12Å; M22-K25 PolarHBondContact O-N 3.23Å; M22-K25 VanDerWaalsContact O-N 3.12Å; M23-K25 PolarHBondContact O-N 3.02Å; K25-E28 WeakPolarHBondContact CD-OE2 3.24Å; K25-E28 IonicContact NZ-OE1 3.91Å; K25-E28 IonicContact NZ-OE2 3.16Å; K25-E28 PolarHBondContact NZ-OE2 3.25Å; K25-E28 PolarHBondContact O-N 2.72Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 2.76Å; K25-I550 HydrophobicContact CB-CG2 3.9Å; K25-I550 HydrophobicContact CD-CG2 3.92Å; K25-I550 HydrophobicContact CG-CG2 4.34Å; K25-L552 HydrophobicContact CG-CB 4.11Å; K25-L552 HydrophobicContact CG-CD2 4.42Å |
| 26 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -52.5 | 172.1 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | M22 M23 E28 A29 L30 I38 L50 A53 V528 | M22-V26 WeakPolarHBondContact O-CG2 3.29Å; M22-V26 PolarHBondContact O-N 3.17Å; M23-V26 PolarHBondContact O-N 3.37Å; V26-E28 VanDerWaalsContact C-N 3.33Å; V26-E28 PolarHBondContact O-N 2.72Å; V26-A29 WeakPolarHBondContact O-CB 3.39Å; V26-A29 PolarHBondContact O-N 3.22Å; V26-L30 HydrophobicContact CG1-CD1 4.04Å; V26-L30 HydrophobicContact CG1-CG 4.25Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 3.49Å; V26-I38 HydrophobicContact CG2-CD1 3.46Å; V26-I38 VanDerWaalsContact CG2-CD1 3.46Å; V26-L50 HydrophobicContact CG2-CD2 3.75Å; V26-A53 HydrophobicContact CB-CB 3.97Å; V26-A53 HydrophobicContact CG1-CB 3.78Å; V26-V528 HydrophobicContact CG2-CG1 4.19Å |
| 27 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | -177.9 | -67.1 | 174.9 | 0 | 0 | 0 | 112.6 | V4 Q5 I7 V9 M23 N24 A29 K31 A53 W57 | V4-L27 HydrophobicContact CB-CD1 3.77Å; V4-L27 HydrophobicContact CG1-CD1 3.85Å; V4-L27 WeakPolarHBondContact O-CD1 3.28Å; Q5-L27 HydrophobicContact CB-CB 3.91Å; Q5-L27 HydrophobicContact CB-CD1 4.25Å; Q5-L27 HydrophobicContact CG-CB 3.95Å; I7-L27 HydrophobicContact CB-CD1 4.31Å; I7-L27 HydrophobicContact CD1-CD2 3.91Å; V9-L27 HydrophobicContact CG2-CD1 3.95Å; M23-L27 WeakPolarHBondContact O-CB 3.4Å; M23-L27 WeakPolarHBondContact O-CG 3.35Å; M23-L27 PolarHBondContact O-N 3.32Å; N24-L27 PolarHBondContact O-N 3.1Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-K31 WeakPolarHBondContact O-CB 3.15Å; L27-K31 VanDerWaalsContact O-CG 3.24Å; L27-K31 WeakPolarHBondContact O-CG 3.2Å; L27-K31 PolarHBondContact O-N 3.38Å; L27-A53 HydrophobicContact CD2-CB 4.34Å; L27-A53 VanDerWaalsContact CD2-O 3.24Å; L27-A53 WeakPolarHBondContact CD2-O 3.31Å; L27-A53 HydrophobicContact CG-CB 4.31Å; L27-W57 HydrophobicContact CD2-CB 3.66Å; L27-W57 HydrophobicContact CD2-CG 4.41Å |
| 28 | E | 98 | Very high | 96.6 | Very high | 43 Ų | 43 | 31.6 Ų | 31.6 | 20% | 0.201 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 171.1 | -173.6 | -175.5 | 164.5 | 0 | 0 | 110.9 | N24 K25 V26 K31 M32 I550 | N24-E28 WeakPolarHBondContact O-CB 3.45Å; N24-E28 PolarHBondContact O-N 2.76Å; K25-E28 WeakPolarHBondContact CD-OE2 3.24Å; K25-E28 IonicContact NZ-OE1 3.91Å; K25-E28 IonicContact NZ-OE2 3.16Å; K25-E28 PolarHBondContact NZ-OE2 3.25Å; K25-E28 PolarHBondContact O-N 2.72Å; V26-E28 VanDerWaalsContact C-N 3.33Å; V26-E28 PolarHBondContact O-N 2.72Å; E28-K31 PolarHBondContact O-N 3.48Å; E28-M32 HydrophobicContact CG-SD 3.75Å; E28-M32 WeakPolarHBondContact O-CB 3.23Å; E28-M32 WeakPolarHBondContact O-CG 3.37Å; E28-M32 PolarHBondContact O-N 2.96Å; E28-I550 HydrophobicContact CB-CD1 4.27Å; E28-I550 HydrophobicContact CG-CD1 3.86Å; E28-I550 HydrophobicContact CG-CG1 4.44Å |
| 29 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K25 V26 L27 M32 R33 K34 C36 S526 I550 | K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 2.76Å; V26-A29 WeakPolarHBondContact O-CB 3.39Å; V26-A29 PolarHBondContact O-N 3.22Å; L27-A29 VanDerWaalsContact C-N 3.33Å; A29-M32 PolarHBondContact O-N 2.93Å; A29-R33 PolarHBondContact O-N 2.94Å; A29-K34 PolarHBondContact O-N 2.88Å; A29-C36 HydrophobicContact CB-CB 3.68Å; A29-S526 PolarHBondContact O-OG 2.7Å; A29-I550 HydrophobicContact CB-CD1 3.59Å |
| 30 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | -179.9 | -58 | -173.7 | 0 | 0 | 0 | 112.5 | V26 W57 V301 R525 V528 | V26-L30 HydrophobicContact CG1-CD1 4.04Å; V26-L30 HydrophobicContact CG1-CG 4.25Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 3.49Å; L30-W57 HydrophobicContact CB-CD2 3.71Å; L30-W57 HydrophobicContact CB-CE3 4.4Å; L30-W57 HydrophobicContact CB-CG 3.81Å; L30-W57 HydrophobicContact CB-CZ2 4.12Å; L30-W57 HydrophobicContact CD1-CB 3.79Å; L30-W57 HydrophobicContact CD1-CD2 3.72Å; L30-W57 HydrophobicContact CD1-CE3 3.9Å; L30-W57 HydrophobicContact CD1-CG 3.65Å; L30-W57 HydrophobicContact CG-CD2 4.34Å; L30-W57 HydrophobicContact CG-CG 4.39Å; L30-V301 HydrophobicContact CD1-CG1 4.3Å; L30-V301 HydrophobicContact CD2-CB 4.28Å; L30-V301 HydrophobicContact CD2-CG1 3.41Å; L30-V301 VanDerWaalsContact CD2-CG1 3.41Å; L30-V301 HydrophobicContact CD2-CG2 3.86Å; L30-R525 PolarHBondContact O-NE 2.76Å; L30-R525 PolarHBondContact O-NH2 3.09Å; L30-V528 HydrophobicContact CD2-CG2 4.36Å |
| 31 | K | 95.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 28.2 Ų | 28.2 | 36% | 0.357 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.4 | -48 | 172.9 | -77.3 | 176.1 | 170 | -161.7 | 0 | 111.7 | Q5 L27 E28 R33 | Q5-K31 WeakPolarHBondContact O-CE 3.3Å; Q5-K31 PolarHBondContact O-NZ 3.05Å; L27-K31 WeakPolarHBondContact O-CB 3.15Å; L27-K31 VanDerWaalsContact O-CG 3.24Å; L27-K31 WeakPolarHBondContact O-CG 3.2Å; L27-K31 PolarHBondContact O-N 3.38Å; E28-K31 PolarHBondContact O-N 3.48Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 2.84Å |
| 32 | M | 96.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 27.9 Ų | 27.9 | 45% | 0.448 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -81.3 | -2.9 | -175.1 | -68.7 | 174 | 33 | 0 | 0 | 114.2 | E28 A29 K34 I550 | E28-M32 HydrophobicContact CG-SD 3.75Å; E28-M32 WeakPolarHBondContact O-CB 3.23Å; E28-M32 WeakPolarHBondContact O-CG 3.37Å; E28-M32 PolarHBondContact O-N 2.96Å; A29-M32 PolarHBondContact O-N 2.93Å; M32-K34 VanDerWaalsContact C-N 3.26Å; M32-K34 HydrophobicContact CB-CB 4.4Å; M32-K34 HydrophobicContact CB-CG 3.82Å; M32-K34 HydrophobicContact CE-CG 3.85Å; M32-K34 WeakPolarHBondContact O-CG 3.29Å; M32-K34 PolarHBondContact O-N 3.18Å; M32-I550 HydrophobicContact CE-CD1 4.04Å; M32-I550 HydrophobicContact CE-CG1 4.45Å; M32-I550 HydrophobicContact SD-CD1 4.34Å |
| 33 | R | 96.6 | Very high | 94.9 | Very high | 109 Ų | 109 | 29.4 Ų | 29.4 | 41% | 0.411 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 45.1 | -172.1 | -53.5 | -173.2 | -175.6 | -159.3 | -3.6 | 111.4 | A29 K31 R525 S526 | A29-R33 PolarHBondContact O-N 2.94Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 2.84Å; R33-R525 CarbonylContact C-O 3.59Å; R33-R525 WeakPolarHBondContact CA-O 3.35Å; R33-R525 HydrophobicContact CB-CG 4.29Å; R33-R525 HydrophobicContact CG-CG 3.89Å; R33-R525 VanDerWaalsContact CZ-NH1 3.3Å; R33-S526 WeakPolarHBondContact CA-OG 3.34Å |
| 34 | K | 97.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 44% | 0.443 | 14% | 0.144 | S | C | . | . | trans | -119 | 158.8 | -179.1 | -61.7 | -57.1 | 176.2 | -173.7 | 0 | 111.7 | A29 M32 S526 P549 I550 | A29-K34 PolarHBondContact O-N 2.88Å; M32-K34 VanDerWaalsContact C-N 3.26Å; M32-K34 HydrophobicContact CB-CB 4.4Å; M32-K34 HydrophobicContact CB-CG 3.82Å; M32-K34 HydrophobicContact CE-CG 3.85Å; M32-K34 WeakPolarHBondContact O-CG 3.29Å; M32-K34 PolarHBondContact O-N 3.18Å; K34-S526 PolarHBondContact N-OG 3.5Å; K34-S526 PolarHBondContact O-OG 2.91Å; K34-P549 HydrophobicContact CB-CG 3.8Å; K34-P549 HydrophobicContact CD-CG 4.29Å; K34-P549 HydrophobicContact CG-CG 4.02Å; K34-I550 HydrophobicContact CB-CD1 4.12Å | ||
| 35 | N | 97.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | trans | -78.6 | 149.8 | 173.1 | -60.4 | -28.8 | 0 | 0 | 0 | 111.4 | S521 V527 P547 F548 P549 | N35-S521 PolarHBondContact ND2-OG 2.82Å; N35-V527 CarbonylContact C-O 3.51Å; N35-V527 WeakPolarHBondContact CA-O 3.45Å; N35-V527 PolarHBondContact OD1-N 3.29Å; N35-P547 WeakPolarHBondContact CB-O 3.33Å; N35-P547 PolarHBondContact ND2-O 3.45Å; N35-F548 HydrophobicContact CB-CD1 3.48Å; N35-F548 VanDerWaalsContact CB-CD1 3.48Å; N35-F548 HydrophobicContact CB-CE1 3.7Å; N35-F548 HydrophobicContact CB-CG 4.23Å; N35-P549 WeakPolarHBondContact O-CD 3.38Å | ||
| 36 | C | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137 | -177 | -174 | 0 | 0 | 0 | 0 | 112.5 | A29 V527 V528 L529 I550 | A29-C36 HydrophobicContact CB-CB 3.68Å; C36-V527 PolarHBondContact N-O 3.47Å; C36-V528 HydrophobicContact CB-CB 4.45Å; C36-V528 HydrophobicContact CB-CG1 4.25Å; C36-V528 HydrophobicContact CB-CG2 4.13Å; C36-L529 PolarHBondContact O-N 2.96Å; C36-I550 CarbonylContact C-O 3.52Å; C36-I550 VanDerWaalsContact CA-O 3.25Å; C36-I550 WeakPolarHBondContact CA-O 3.45Å; C36-I550 HydrophobicContact CB-CB 4.27Å; C36-I550 HydrophobicContact CB-CG2 4.32Å |
| 37 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.8 | 168.4 | -64 | -179.4 | 0 | 0 | 0 | 110.8 | L529 L534 M537 Y540 A541 F548 I550 R551 L552 | L37-L529 HydrophobicContact CD2-CB 3.82Å; L37-L529 HydrophobicContact CD2-CD1 3.87Å; L37-L529 HydrophobicContact CD2-CG 4.21Å; L37-L534 HydrophobicContact CB-CD1 4.44Å; L37-L534 HydrophobicContact CD2-CD1 4.38Å; L37-M537 HydrophobicContact CB-SD 4.1Å; L37-M537 HydrophobicContact CD1-CB 3.96Å; L37-M537 HydrophobicContact CD1-CG 4.3Å; L37-Y540 HydrophobicContact CD1-CD1 3.94Å; L37-Y540 HydrophobicContact CD2-CD1 3.73Å; L37-Y540 HydrophobicContact CD2-CE1 3.59Å; L37-A541 HydrophobicContact CD1-CB 4.28Å; L37-F548 HydrophobicContact CD1-CB 3.87Å; L37-F548 HydrophobicContact CD1-CD1 4.29Å; L37-F548 HydrophobicContact CD1-CD2 4.07Å; L37-F548 HydrophobicContact CD1-CG 3.83Å; L37-F548 HydrophobicContact CD2-CD1 3.46Å; L37-F548 VanDerWaalsContact CD2-CD1 3.46Å; L37-F548 HydrophobicContact CD2-CD2 4.23Å; L37-F548 HydrophobicContact CD2-CE1 3.48Å; L37-F548 VanDerWaalsContact CD2-CE1 3.48Å; L37-F548 HydrophobicContact CD2-CE2 4.25Å; L37-F548 HydrophobicContact CD2-CG 3.84Å; L37-F548 HydrophobicContact CD2-CZ 3.89Å; L37-F548 HydrophobicContact CG-CB 3.69Å; L37-F548 HydrophobicContact CG-CD1 3.46Å; L37-F548 VanDerWaalsContact CG-CD1 3.46Å; L37-F548 HydrophobicContact CG-CD2 4.13Å; L37-F548 HydrophobicContact CG-CE1 4.05Å; L37-F548 HydrophobicContact CG-CG 3.5Å; L37-F548 VanDerWaalsContact CG-CG 3.5Å; L37-I550 PolarHBondContact N-O 2.92Å; L37-R551 HydrophobicContact CB-CG 4.46Å; L37-R551 CarbonylContact O-C 3.37Å; L37-R551 VanDerWaalsContact O-CA 3.27Å; L37-R551 WeakPolarHBondContact O-CA 3.43Å; L37-L552 PolarHBondContact O-N 3.46Å |
| 38 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 110.6 | 178.7 | -61.1 | 178.3 | 0 | 0 | 0 | 109.3 | M22 V26 L50 V528 L529 A530 S531 L534 L552 | M22-I38 HydrophobicContact CE-CG2 4.07Å; M22-I38 HydrophobicContact CG-CG2 3.79Å; M22-I38 HydrophobicContact SD-CG2 4.22Å; V26-I38 HydrophobicContact CG2-CD1 3.46Å; V26-I38 VanDerWaalsContact CG2-CD1 3.46Å; I38-L50 HydrophobicContact CD1-CD2 3.98Å; I38-V528 HydrophobicContact CD1-CG1 3.96Å; I38-L529 PolarHBondContact N-O 3.25Å; I38-A530 HydrophobicContact CB-CB 4.22Å; I38-A530 VanDerWaalsContact O-CA 3.27Å; I38-A530 WeakPolarHBondContact O-CA 3.48Å; I38-S531 PolarHBondContact O-N 3.23Å; I38-L534 WeakPolarHBondContact O-CD1 3.28Å; I38-L552 HydrophobicContact CG1-CB 4.45Å; I38-L552 HydrophobicContact CG2-CD2 4.35Å |
| 39 | E | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.2 | 161.3 | 178 | 167 | 126.8 | 0 | 0 | 109.1 | S531 L534 S535 M537 L552 E553 A554 | E39-S531 VanDerWaalsContact CA-O 3.26Å; E39-S531 WeakPolarHBondContact CA-O 3.42Å; E39-L534 HydrophobicContact CB-CB 4.39Å; E39-L534 PolarHBondContact OE2-N 2.82Å; E39-L534 VanDerWaalsContact OE2-N 3.09Å; E39-S535 WeakPolarHBondContact OE2-CA 3.5Å; E39-S535 WeakPolarHBondContact OE2-CB 3.38Å; E39-S535 PolarHBondContact OE2-N 3.39Å; E39-M537 HydrophobicContact CB-CE 3.37Å; E39-L552 PolarHBondContact N-O 2.96Å; E39-E553 HydrophobicContact CB-CG 4.4Å; E39-A554 WeakPolarHBondContact O-CB 3.38Å; E39-A554 PolarHBondContact O-N 3.4Å |
| 40 | S | 91.8 | Very high | 93 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -139.8 | 129.7 | 172.8 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | M22 S44 S531 G532 | M22-S40 VanDerWaalsContact SD-CB 3.58Å; M22-S40 PolarHBondContact SD-OG 3.33Å; S40-S44 PolarHBondContact OG-OG 3.08Å; S40-S531 PolarHBondContact N-O 3.47Å; S40-G532 VanDerWaalsContact O-CA 3.23Å; S40-G532 WeakPolarHBondContact O-CA 3.28Å | ||
| 41 | P | 86.7 | Confident | 93 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | trans | -56.1 | 157.8 | -177.5 | -25.3 | 35 | 0 | 0 | 0 | 113.5 | S44 H556 W787 | P41-S44 WeakPolarHBondContact O-CB 3.31Å; P41-S44 PolarHBondContact O-OG 3.11Å; P41-H556 HydrophobicContact CG-CB 4.33Å; P41-W787 HydrophobicContact CG-CD2 4.49Å; P41-W787 HydrophobicContact CG-CG 3.97Å | ||
| 42 | T | 82.2 | Confident | 93.1 | Very high | 31 Ų | 31 | 21.9 Ų | 21.9 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 151.2 | 168.4 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | S44 G756 | T42-S44 PolarHBondContact O-N 2.88Å; T42-S44 VanDerWaalsContact O-N 3.14Å; T42-G756 PolarHBondContact OG1-O 2.76Å |
| 43 | G | 80.7 | Confident | 93.1 | Very high | 33 Ų | 33 | 17.6 Ų | 17.6 | 34% | 0.34 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 1 | 180 | 0 | 0 | 0 | 0 | 0 | 116.2 | G45 R760 | G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 2.88Å; G43-R760 WeakPolarHBondContact CA-O 3.22Å |
| 44 | S | 84.2 | Confident | 93.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -82.5 | -2.3 | 179.8 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | Q19 S40 P41 T42 | Q19-S44 WeakPolarHBondContact CG-O 3.18Å; Q19-S44 PolarHBondContact NE2-O 2.86Å; S40-S44 PolarHBondContact OG-OG 3.08Å; P41-S44 WeakPolarHBondContact O-CB 3.31Å; P41-S44 PolarHBondContact O-OG 3.11Å; T42-S44 PolarHBondContact O-N 2.88Å; T42-S44 VanDerWaalsContact O-N 3.14Å |
| 45 | G | 88.4 | Confident | 93.1 | Very high | 29 Ų | 29 | 7.6 Ų | 7.6 | 30% | 0.299 | 6% | 0.058 | S | C | . | . | trans | 70 | 35.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q19 G43 A49 | Q19-G45 PolarHBondContact NE2-O 3.13Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 2.88Å; G45-A49 PolarHBondContact O-N 3.21Å | ||
| 46 | K | 92.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 7 Ų | 7 | 6% | 0.057 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -53.2 | -55.8 | -178.3 | -172.5 | 179.4 | 76.8 | -132.9 | 0 | 112.6 | M22 L48 A49 L50 D305 E306 A530 | M22-K46 HydrophobicContact CE-CB 4.17Å; M22-K46 HydrophobicContact CE-CG 3.56Å; M22-K46 WeakPolarHBondContact CE-O 3.29Å; M22-K46 HydrophobicContact SD-CG 4.22Å; K46-L48 PolarHBondContact O-N 2.89Å; K46-A49 PolarHBondContact O-N 2.85Å; K46-L50 HydrophobicContact CG-CD1 4.22Å; K46-L50 WeakPolarHBondContact O-CG 3.46Å; K46-L50 PolarHBondContact O-N 3.14Å; K46-D305 WeakPolarHBondContact CE-OD1 3.46Å; K46-D305 IonicContact NZ-OD1 2.8Å; K46-D305 PolarHBondContact NZ-OD1 3.3Å; K46-E306 IonicContact NZ-OE1 3.07Å; K46-E306 PolarHBondContact NZ-OE1 2.96Å; K46-A530 HydrophobicContact CD-CB 4.24Å |
| 47 | S | 93.9 | Very high | 93 | Very high | 28 Ų | 28 | 7.5 Ų | 7.5 | 20% | 0.196 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | -174.3 | -45 | 0 | 0 | 0 | 0 | 112.6 | A49 L50 L51 L160 D305 | S47-A49 PolarHBondContact O-N 2.74Å; S47-L50 PolarHBondContact O-N 2.61Å; S47-L51 WeakPolarHBondContact O-CG 3.32Å; S47-L51 PolarHBondContact O-N 3.23Å; S47-L160 VanDerWaalsContact CB-CD2 3.5Å; S47-D305 WeakPolarHBondContact CB-OD2 3.45Å; S47-D305 PolarHBondContact OG-OD2 3.05Å |
| 48 | L | 94.3 | Very high | 93 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.1 | -177.2 | 65.3 | 0 | 0 | 0 | 112.2 | M11 P12 F13 K46 L51 C52 E163 | M11-L48 HydrophobicContact CE-CD2 4.28Å; M11-L48 HydrophobicContact CE-CG 4.33Å; P12-L48 HydrophobicContact CG-CD2 3.96Å; F13-L48 HydrophobicContact CD1-CD2 4.43Å; F13-L48 HydrophobicContact CE1-CD2 3.33Å; F13-L48 HydrophobicContact CZ-CD2 3.52Å; K46-L48 PolarHBondContact O-N 2.89Å; L48-L51 PolarHBondContact O-N 2.94Å; L48-C52 WeakPolarHBondContact O-CB 3.12Å; L48-C52 PolarHBondContact O-N 3.47Å; L48-C52 PolarHBondContact O-SG 3.41Å; L48-E163 WeakPolarHBondContact CD1-O 3.41Å |
| 49 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q19 M22 M23 G45 K46 S47 A53 | Q19-A49 HydrophobicContact CB-CB 3.95Å; Q19-A49 HydrophobicContact CG-CB 3.99Å; M22-A49 HydrophobicContact CE-CB 4.11Å; M23-A49 HydrophobicContact CG-CB 4.2Å; G45-A49 PolarHBondContact O-N 3.21Å; K46-A49 PolarHBondContact O-N 2.85Å; S47-A49 PolarHBondContact O-N 2.74Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 2.96Å; A49-A53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.8 | -67.5 | 170.6 | 0 | 0 | 0 | 111.3 | M22 V26 I38 K46 S47 A54 F149 I303 V528 A530 | M22-L50 HydrophobicContact CE-CD2 3.94Å; M22-L50 HydrophobicContact CE-CG 3.83Å; V26-L50 HydrophobicContact CG2-CD2 3.75Å; I38-L50 HydrophobicContact CD1-CD2 3.98Å; K46-L50 HydrophobicContact CG-CD1 4.22Å; K46-L50 WeakPolarHBondContact O-CG 3.46Å; K46-L50 PolarHBondContact O-N 3.14Å; S47-L50 PolarHBondContact O-N 2.61Å; L50-A54 WeakPolarHBondContact O-CB 3.26Å; L50-A54 PolarHBondContact O-N 3.49Å; L50-F149 HydrophobicContact CB-CE2 3.8Å; L50-F149 HydrophobicContact CB-CZ 3.74Å; L50-F149 HydrophobicContact CD1-CZ 4.24Å; L50-I303 HydrophobicContact CB-CG2 4.28Å; L50-I303 HydrophobicContact CD1-CG2 4.25Å; L50-I303 HydrophobicContact CD2-CG2 4.49Å; L50-V528 HydrophobicContact CD2-CG1 4.17Å; L50-A530 HydrophobicContact CD1-CB 3.52Å; L50-A530 HydrophobicContact CD2-CB 4.23Å; L50-A530 HydrophobicContact CG-CB 4.46Å |
| 51 | L | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.9 | -54.1 | 178.8 | -79.6 | 167.3 | 0 | 0 | 0 | 111.1 | S47 L48 A53 A54 L55 F149 E163 L164 F278 | S47-L51 WeakPolarHBondContact O-CG 3.32Å; S47-L51 PolarHBondContact O-N 3.23Å; L48-L51 PolarHBondContact O-N 2.94Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.16Å; L51-A54 PolarHBondContact O-N 3.25Å; L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.48Å; L51-F149 HydrophobicContact CB-CE2 4.23Å; L51-F149 HydrophobicContact CD2-CD2 3.35Å; L51-F149 HydrophobicContact CD2-CE2 3.46Å; L51-F149 VanDerWaalsContact CD2-CE2 3.46Å; L51-F149 HydrophobicContact CD2-CG 3.93Å; L51-F149 HydrophobicContact CD2-CZ 4.12Å; L51-F149 HydrophobicContact CG-CD2 3.95Å; L51-F149 HydrophobicContact CG-CE2 3.48Å; L51-F149 VanDerWaalsContact CG-CE2 3.48Å; L51-F149 HydrophobicContact CG-CZ 3.84Å; L51-E163 HydrophobicContact CD1-CB 4.15Å; L51-L164 HydrophobicContact CD1-CB 4.37Å; L51-F278 HydrophobicContact CD2-CE1 4.04Å; L51-F278 HydrophobicContact CD2-CZ 3.97Å |
| 52 | C | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | -176.2 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | V9 M11 L48 A56 Y169 | V9-C52 HydrophobicContact CG1-CB 3.91Å; M11-C52 HydrophobicContact SD-CB 3.53Å; M11-C52 VanDerWaalsContact SD-CB 3.53Å; M11-C52 VanDerWaalsContact SD-SG 3.62Å; L48-C52 WeakPolarHBondContact O-CB 3.12Å; L48-C52 PolarHBondContact O-N 3.47Å; L48-C52 PolarHBondContact O-SG 3.41Å; C52-A56 WeakPolarHBondContact O-CB 3.43Å; C52-A56 PolarHBondContact O-N 3.29Å; C52-Y169 HydrophobicContact CB-CE2 3.91Å |
| 53 | A | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M23 V26 L27 A49 L51 W57 | M23-A53 HydrophobicContact CB-CB 4.11Å; M23-A53 HydrophobicContact CG-CB 3.98Å; V26-A53 HydrophobicContact CB-CB 3.97Å; V26-A53 HydrophobicContact CG1-CB 3.78Å; L27-A53 HydrophobicContact CD2-CB 4.34Å; L27-A53 VanDerWaalsContact CD2-O 3.24Å; L27-A53 WeakPolarHBondContact CD2-O 3.31Å; L27-A53 HydrophobicContact CG-CB 4.31Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 2.96Å; A49-A53 VanDerWaalsContact O-N 3.1Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.16Å; A53-W57 WeakPolarHBondContact O-CB 3.37Å; A53-W57 PolarHBondContact O-N 3.46Å |
| 54 | A | 97.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L50 L51 W57 Q58 I147 I303 | L50-A54 WeakPolarHBondContact O-CB 3.26Å; L50-A54 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 3.25Å; A54-W57 WeakPolarHBondContact O-CB 3.24Å; A54-W57 PolarHBondContact O-N 2.69Å; A54-Q58 PolarHBondContact O-N 2.99Å; A54-I147 HydrophobicContact CB-CD1 3.93Å; A54-I147 HydrophobicContact CB-CG2 4.38Å; A54-I147 WeakPolarHBondContact O-CD1 3.02Å; A54-I303 HydrophobicContact CB-CD1 3.29Å |
| 55 | L | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | -179.9 | -64.2 | 177.8 | 0 | 0 | 0 | 111.5 | L51 W57 Q58 Q59 I147 L164 Y169 I172 V276 | L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.48Å; L55-W57 VanDerWaalsContact C-N 3.27Å; L55-W57 PolarHBondContact O-N 3.38Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-Q59 WeakPolarHBondContact O-CG 3.27Å; L55-Q59 PolarHBondContact O-N 3.49Å; L55-I147 HydrophobicContact CD2-CD1 4.06Å; L55-L164 HydrophobicContact CD1-CD1 3.67Å; L55-Y169 HydrophobicContact CB-CD1 3.89Å; L55-Y169 HydrophobicContact CB-CD2 4.24Å; L55-Y169 HydrophobicContact CB-CE1 4.16Å; L55-Y169 HydrophobicContact CB-CE2 4.49Å; L55-Y169 HydrophobicContact CB-CG 3.95Å; L55-Y169 HydrophobicContact CD1-CD2 4.02Å; L55-Y169 HydrophobicContact CD1-CG 3.79Å; L55-I172 HydrophobicContact CD2-CD1 3.94Å; L55-I172 HydrophobicContact CD2-CG1 3.97Å; L55-V276 HydrophobicContact CD2-CB 4.3Å |
| 56 | A | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I7 V9 C52 S60 Y169 | I7-A56 HydrophobicContact CG2-CB 3.91Å; V9-A56 HydrophobicContact CB-CB 4.19Å; V9-A56 HydrophobicContact CG1-CB 4.12Å; V9-A56 HydrophobicContact CG2-CB 3.81Å; C52-A56 WeakPolarHBondContact O-CB 3.43Å; C52-A56 PolarHBondContact O-N 3.29Å; A56-S60 VanDerWaalsContact O-CB 3.29Å; A56-S60 WeakPolarHBondContact O-CB 3.43Å; A56-S60 PolarHBondContact O-N 3.02Å; A56-Y169 WeakPolarHBondContact CB-OH 3.49Å |
| 57 | W | 97.1 | Very high | 92 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.038 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.4 | 176.9 | 87.1 | 0 | 0 | 0 | 111.8 | I7 L27 L30 A53 A54 L55 S60 Y61 P145 V301 R525 | I7-W57 HydrophobicContact CD1-CB 4.48Å; L27-W57 HydrophobicContact CD2-CB 3.66Å; L27-W57 HydrophobicContact CD2-CG 4.41Å; L30-W57 HydrophobicContact CB-CD2 3.71Å; L30-W57 HydrophobicContact CB-CE3 4.4Å; L30-W57 HydrophobicContact CB-CG 3.81Å; L30-W57 HydrophobicContact CB-CZ2 4.12Å; L30-W57 HydrophobicContact CD1-CB 3.79Å; L30-W57 HydrophobicContact CD1-CD2 3.72Å; L30-W57 HydrophobicContact CD1-CE3 3.9Å; L30-W57 HydrophobicContact CD1-CG 3.65Å; L30-W57 HydrophobicContact CG-CD2 4.34Å; L30-W57 HydrophobicContact CG-CG 4.39Å; A53-W57 WeakPolarHBondContact O-CB 3.37Å; A53-W57 PolarHBondContact O-N 3.46Å; A54-W57 WeakPolarHBondContact O-CB 3.24Å; A54-W57 PolarHBondContact O-N 2.69Å; L55-W57 VanDerWaalsContact C-N 3.27Å; L55-W57 PolarHBondContact O-N 3.38Å; W57-S60 PolarHBondContact O-N 3.37Å; W57-Y61 HydrophobicContact CH2-CD2 4.4Å; W57-Y61 HydrophobicContact CZ2-CD2 4.09Å; W57-Y61 WeakPolarHBondContact O-CB 3.24Å; W57-Y61 PolarHBondContact O-N 2.87Å; W57-P145 HydrophobicContact CH2-CB 4.05Å; W57-P145 HydrophobicContact CH2-CG 3.85Å; W57-P145 HydrophobicContact CZ3-CB 4.01Å; W57-P145 HydrophobicContact CZ3-CG 4.22Å; W57-V301 HydrophobicContact CE3-CG2 4.22Å; W57-V301 HydrophobicContact CH2-CG2 3.9Å; W57-V301 HydrophobicContact CZ3-CG2 3.52Å; W57-R525 VanDerWaalsContact CZ2-NE 3.33Å |
| 58 | Q | 96.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 179.7 | -174.8 | -173 | 53.6 | 0 | 0 | 111.6 | A54 L55 S60 Y61 E62 V144 P145 I147 K275 | A54-Q58 PolarHBondContact O-N 2.99Å; L55-Q58 PolarHBondContact O-N 2.89Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-S60 PolarHBondContact O-N 3.43Å; Q58-Y61 WeakPolarHBondContact O-CB 3.14Å; Q58-Y61 PolarHBondContact O-N 3Å; Q58-E62 WeakPolarHBondContact O-CB 3.35Å; Q58-E62 PolarHBondContact O-N 3.23Å; Q58-V144 HydrophobicContact CG-CG1 3.69Å; Q58-P145 PolarHBondContact NE2-O 3.35Å; Q58-I147 HydrophobicContact CB-CD1 3.79Å; Q58-I147 HydrophobicContact CG-CD1 4.31Å; Q58-K275 PolarHBondContact NE2-O 3.42Å |
| 59 | Q | 94.5 | Very high | 88.4 | Confident | 72 Ų | 72 | 34.3 Ų | 34.3 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 173.8 | -73 | -176.2 | -15.3 | 0 | 0 | 111.9 | L55 Y61 E62 G63 | L55-Q59 WeakPolarHBondContact O-CG 3.27Å; L55-Q59 PolarHBondContact O-N 3.49Å; Q59-Y61 VanDerWaalsContact C-N 3.32Å; Q59-Y61 PolarHBondContact O-N 3.45Å; Q59-E62 PolarHBondContact O-N 3.48Å; Q59-G63 PolarHBondContact O-N 2.75Å |
| 60 | S | 93.8 | Very high | 86.4 | Confident | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -34 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | A56 W57 Q58 R64 | A56-S60 VanDerWaalsContact O-CB 3.29Å; A56-S60 WeakPolarHBondContact O-CB 3.43Å; A56-S60 PolarHBondContact O-N 3.02Å; W57-S60 PolarHBondContact O-N 3.37Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-S60 PolarHBondContact O-N 3.43Å; S60-R64 VanDerWaalsContact O-CG 3.29Å; S60-R64 WeakPolarHBondContact O-CG 3.4Å; S60-R64 PolarHBondContact O-N 3.44Å; S60-R64 PolarHBondContact O-NE 3.1Å; S60-R64 PolarHBondContact OG-NE 2.93Å; S60-R64 PolarHBondContact OG-NH2 3.37Å |
| 61 | Y | 93 | Very high | 84 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -49.4 | 175.6 | -174.1 | -87.7 | 0 | 0 | 0 | 110.7 | W57 Q58 Q59 G63 R64 L65 P145 | W57-Y61 HydrophobicContact CH2-CD2 4.4Å; W57-Y61 HydrophobicContact CZ2-CD2 4.09Å; W57-Y61 WeakPolarHBondContact O-CB 3.24Å; W57-Y61 PolarHBondContact O-N 2.87Å; Q58-Y61 WeakPolarHBondContact O-CB 3.14Å; Q58-Y61 PolarHBondContact O-N 3Å; Q59-Y61 VanDerWaalsContact C-N 3.32Å; Q59-Y61 PolarHBondContact O-N 3.45Å; Y61-G63 VanDerWaalsContact C-N 3.33Å; Y61-G63 PolarHBondContact O-N 3.19Å; Y61-R64 WeakPolarHBondContact O-CB 3.34Å; Y61-R64 PolarHBondContact O-N 3.39Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; Y61-L65 HydrophobicContact CD1-CD1 4.41Å; Y61-L65 HydrophobicContact CD1-CG 4.49Å; Y61-L65 HydrophobicContact CE1-CD1 4.23Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.33Å; Y61-L65 PolarHBondContact O-N 3.31Å; Y61-P145 HydrophobicContact CD1-CG 4.41Å; Y61-P145 VanDerWaalsContact CE1-CD 3.41Å; Y61-P145 HydrophobicContact CE1-CG 4.15Å |
| 62 | E | 91 | Very high | 81.6 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 177.2 | -176.4 | 174.2 | -164.2 | 0 | 0 | 112.1 | Q58 Q59 R64 L65 V144 K275 | Q58-E62 WeakPolarHBondContact O-CB 3.35Å; Q58-E62 PolarHBondContact O-N 3.23Å; Q59-E62 PolarHBondContact O-N 3.48Å; E62-R64 PolarHBondContact O-N 3.37Å; E62-L65 PolarHBondContact O-N 3.46Å; E62-L65 VanDerWaalsContact O-N 3.13Å; E62-V144 HydrophobicContact CB-CG1 4.45Å; E62-V144 HydrophobicContact CB-CG2 4.03Å; E62-V144 HydrophobicContact CG-CG2 3.94Å; E62-K275 IonicContact OE1-NZ 2.76Å; E62-K275 PolarHBondContact OE1-NZ 3.46Å; E62-K275 IonicContact OE2-NZ 2.72Å; E62-K275 PolarHBondContact OE2-NZ 3.24Å |
| 63 | G | 88.9 | Confident | 79 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -21.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q59 Y61 | Q59-G63 PolarHBondContact O-N 2.75Å; Y61-G63 VanDerWaalsContact C-N 3.33Å; Y61-G63 PolarHBondContact O-N 3.19Å |
| 64 | R | 86.8 | Confident | 76.3 | Confident | 162 Ų | 162 | 55.5 Ų | 55.5 | 61% | 0.611 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -87.8 | -14.6 | 176.3 | -67.3 | 171.2 | -149.6 | -160 | -0.7 | 113.2 | S60 Y61 E62 | S60-R64 VanDerWaalsContact O-CG 3.29Å; S60-R64 WeakPolarHBondContact O-CG 3.4Å; S60-R64 PolarHBondContact O-N 3.44Å; S60-R64 PolarHBondContact O-NE 3.1Å; S60-R64 PolarHBondContact OG-NE 2.93Å; S60-R64 PolarHBondContact OG-NH2 3.37Å; Y61-R64 WeakPolarHBondContact O-CB 3.34Å; Y61-R64 PolarHBondContact O-N 3.39Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; E62-R64 PolarHBondContact O-N 3.37Å |
| 65 | L | 83.9 | Confident | 73.5 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -70.1 | 141 | 177.4 | -62.1 | 176.2 | 0 | 0 | 0 | 109.9 | Y61 E62 Q69 R70 V144 | Y61-L65 HydrophobicContact CD1-CD1 4.41Å; Y61-L65 HydrophobicContact CD1-CG 4.49Å; Y61-L65 HydrophobicContact CE1-CD1 4.23Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.33Å; Y61-L65 PolarHBondContact O-N 3.31Å; E62-L65 PolarHBondContact O-N 3.46Å; E62-L65 VanDerWaalsContact O-N 3.13Å; L65-Q69 HydrophobicContact CB-CB 4.06Å; L65-R70 PolarHBondContact O-NE 2.74Å; L65-V144 HydrophobicContact CD1-CG2 3.55Å |
| 66 | P | 78.2 | Confident | 70.3 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 47% | 0.474 | 35% | 0.346 | S | S | . | . | trans | -50 | 149 | 170.3 | -26.2 | 33.6 | 0 | 0 | 0 | 112 | T68 Q69 R70 | P66-T68 PolarHBondContact O-N 3.36Å; P66-T68 VanDerWaalsContact O-N 3.15Å; P66-Q69 WeakPolarHBondContact O-CA 3.49Å; P66-Q69 WeakPolarHBondContact O-CB 3.39Å; P66-Q69 PolarHBondContact O-N 3.45Å; P66-R70 PolarHBondContact O-N 3.14Å; P66-R70 VanDerWaalsContact O-N 3.07Å | ||
| 67 | S | 66.8 | Low | 67.3 | Low | 83 Ų | 83 | 71.6 Ų | 71.6 | 58% | 0.58 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.2 | -38.2 | -178.8 | -31.8 | 0 | 0 | 0 | 0 | 112.8 | Q69 R70 L71 | S67-Q69 VanDerWaalsContact C-N 3.34Å; S67-Q69 PolarHBondContact O-N 3.34Å; S67-R70 PolarHBondContact O-N 3.25Å; S67-L71 PolarHBondContact O-N 3.01Å |
| 68 | T | 57.9 | Low | 64.4 | Low | 100 Ų | 100 | 73 Ų | 73 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.9 | -40.7 | 174 | 33.2 | 0 | 0 | 0 | 0 | 112 | P66 L72 | P66-T68 PolarHBondContact O-N 3.36Å; P66-T68 VanDerWaalsContact O-N 3.15Å; T68-L72 WeakPolarHBondContact O-CD1 3.38Å; T68-L72 WeakPolarHBondContact O-CG 3.38Å; T68-L72 PolarHBondContact O-N 2.95Å; T68-L72 VanDerWaalsContact O-N 3.09Å |
| 69 | Q | 54.2 | Low | 61.1 | Low | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -75.4 | -26.6 | 176.5 | -93.8 | 179.6 | -11.4 | 0 | 0 | 114.1 | L65 P66 S67 L71 L72 S73 | L65-Q69 HydrophobicContact CB-CB 4.06Å; P66-Q69 WeakPolarHBondContact O-CA 3.49Å; P66-Q69 WeakPolarHBondContact O-CB 3.39Å; P66-Q69 PolarHBondContact O-N 3.45Å; S67-Q69 VanDerWaalsContact C-N 3.34Å; S67-Q69 PolarHBondContact O-N 3.34Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L72 CarbonylContact O-C 3.53Å; Q69-L72 PolarHBondContact O-N 3.21Å; Q69-S73 WeakPolarHBondContact O-CB 3.48Å; Q69-S73 PolarHBondContact O-N 2.98Å |
| 70 | R | 52.4 | Low | 57.8 | Low | 121 Ų | 121 | 86.2 Ų | 86.2 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 172.8 | -78.7 | -173.9 | -119.2 | 156.9 | -2.6 | 111 | L65 P66 S67 S73 T74 | L65-R70 PolarHBondContact O-NE 2.74Å; P66-R70 PolarHBondContact O-N 3.14Å; P66-R70 VanDerWaalsContact O-N 3.07Å; S67-R70 PolarHBondContact O-N 3.25Å; R70-S73 PolarHBondContact O-N 3.13Å; R70-S73 PolarHBondContact O-OG 2.92Å; R70-T74 PolarHBondContact O-OG1 3.28Å |
| 71 | L | 48.4 | Very low | 54.7 | Low | 128 Ų | 128 | 89.2 Ų | 89.2 | 67% | 0.67 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 173.8 | -72.3 | 159.4 | 0 | 0 | 0 | 111.6 | S67 Q69 S73 T74 V75 | S67-L71 PolarHBondContact O-N 3.01Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 3.24Å; L71-T74 WeakPolarHBondContact O-CB 3.45Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.1Å; L71-V75 WeakPolarHBondContact O-CG2 3.41Å; L71-V75 PolarHBondContact O-N 3.02Å |
| 72 | L | 45.3 | Very low | 51.5 | Low | 52 Ų | 52 | 95.1 Ų | 95.1 | 27% | 0.272 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -25.5 | 176.9 | -65.5 | 164 | 0 | 0 | 0 | 113 | T68 Q69 T74 V75 N76 | T68-L72 WeakPolarHBondContact O-CD1 3.38Å; T68-L72 WeakPolarHBondContact O-CG 3.38Å; T68-L72 PolarHBondContact O-N 2.95Å; T68-L72 VanDerWaalsContact O-N 3.09Å; Q69-L72 CarbonylContact O-C 3.53Å; Q69-L72 PolarHBondContact O-N 3.21Å; L72-T74 PolarHBondContact O-N 3.35Å; L72-V75 PolarHBondContact O-N 3.1Å; L72-N76 HydrophobicContact CB-CB 4.44Å; L72-N76 VanDerWaalsContact CD2-OD1 3.26Å; L72-N76 WeakPolarHBondContact CD2-OD1 3.12Å; L72-N76 WeakPolarHBondContact O-CA 3.37Å; L72-N76 WeakPolarHBondContact O-CB 3.49Å; L72-N76 PolarHBondContact O-N 3.27Å |
| 73 | S | 42 | Very low | 48.6 | Very low | 44 Ų | 44 | 99.4 Ų | 99.4 | 31% | 0.308 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.8 | -18.1 | 173.5 | 74 | 0 | 0 | 0 | 0 | 112.9 | Q69 R70 L71 | Q69-S73 WeakPolarHBondContact O-CB 3.48Å; Q69-S73 PolarHBondContact O-N 2.98Å; R70-S73 PolarHBondContact O-N 3.13Å; R70-S73 PolarHBondContact O-OG 2.92Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 3.24Å |
| 74 | T | 40.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 105.3 Ų | 105.3 | 63% | 0.632 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -93.1 | -23.2 | 173.3 | -36.2 | 0 | 0 | 0 | 0 | 112.1 | R70 L71 L72 | R70-T74 PolarHBondContact O-OG1 3.28Å; L71-T74 WeakPolarHBondContact O-CB 3.45Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.1Å; L72-T74 PolarHBondContact O-N 3.35Å |
| 75 | V | 38.5 | Very low | 42.6 | Very low | 84 Ų | 84 | 106.7 Ų | 106.7 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -121.9 | -17.4 | -169 | -172.4 | 0 | 0 | 0 | 0 | 115.1 | L71 L72 F77 A78 | L71-V75 WeakPolarHBondContact O-CG2 3.41Å; L71-V75 PolarHBondContact O-N 3.02Å; L72-V75 PolarHBondContact O-N 3.1Å; V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 3.41Å; V75-A78 HydrophobicContact CG1-CB 4.45Å; V75-A78 PolarHBondContact O-N 3.43Å |
| 76 | N | 29.7 | Very low | 39.7 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 42% | 0.422 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | 79.2 | 179.8 | -85.9 | -3.7 | 0 | 0 | 0 | 112.8 | L72 | L72-N76 HydrophobicContact CB-CB 4.44Å; L72-N76 VanDerWaalsContact CD2-OD1 3.26Å; L72-N76 WeakPolarHBondContact CD2-OD1 3.12Å; L72-N76 WeakPolarHBondContact O-CA 3.37Å; L72-N76 WeakPolarHBondContact O-CB 3.49Å; L72-N76 PolarHBondContact O-N 3.27Å |
| 77 | F | 35 | Very low | 37.3 | Very low | 178 Ų | 178 | 118.1 Ų | 118.1 | 78% | 0.781 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | -127.5 | 7.8 | 122.2 | -91.6 | -85.5 | 0 | 0 | 0 | 112.2 | V75 | V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 3.41Å | |
| 78 | A | 34.5 | Very low | 35.2 | Very low | 40 Ų | 40 | 120.6 Ų | 120.6 | 33% | 0.331 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -85.7 | -24.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V75 | V75-A78 HydrophobicContact CG1-CB 4.45Å; V75-A78 PolarHBondContact O-N 3.43Å |
| 79 | E | 27.6 | Very low | 33.4 | Very low | 145 Ų | 145 | 124 Ų | 124 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | trans | -102.5 | 14.3 | -164.8 | -72.4 | -171.2 | 163.8 | 0 | 0 | 116.7 | S81 | E79-S81 PolarHBondContact O-N 3.06Å; E79-S81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | K | 25.8 | Very low | 32 | Very low | 205 Ų | 205 | 127.9 Ų | 127.9 | 89% | 0.891 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 12.9 | 171.8 | -106.1 | -168.2 | 178.6 | -165.3 | 0 | 114.7 | ||
| 81 | S | 28.6 | Very low | 30.7 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 44.9 | -178 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | E79 | E79-S81 PolarHBondContact O-N 3.06Å; E79-S81 VanDerWaalsContact O-N 3.13Å |
| 82 | F | 26.1 | Very low | 29.7 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | trans | -161.7 | 99.5 | 157.1 | -132.6 | -97 | 0 | 0 | 0 | 113.8 | K84 | F82-K84 HydrophobicContact CD1-CB 4.37Å; F82-K84 HydrophobicContact CE1-CB 3.91Å; F82-K84 HydrophobicContact CE1-CD 4.43Å; F82-K84 HydrophobicContact CE2-CD 4.3Å; F82-K84 HydrophobicContact CZ-CB 4.26Å; F82-K84 HydrophobicContact CZ-CD 3.92Å; F82-K84 HydrophobicContact CZ-CG 4.48Å | ||
| 83 | S | 29.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 72% | 0.72 | S | S | * | * | trans | -134.3 | 77.2 | 148.1 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 84 | K | 23.5 | Very low | 28.2 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -90.9 | 92.7 | 164.9 | -89.2 | -179.5 | 173.7 | 173.8 | 0 | 108.2 | F82 | F82-K84 HydrophobicContact CD1-CB 4.37Å; F82-K84 HydrophobicContact CE1-CB 3.91Å; F82-K84 HydrophobicContact CE1-CD 4.43Å; F82-K84 HydrophobicContact CE2-CD 4.3Å; F82-K84 HydrophobicContact CZ-CB 4.26Å; F82-K84 HydrophobicContact CZ-CD 3.92Å; F82-K84 HydrophobicContact CZ-CG 4.48Å | ||
| 85 | E | 27 | Very low | 27.6 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -92.5 | 129.8 | 150.4 | -80.8 | -177.6 | 166.3 | 0 | 0 | 108 | E87 | E85-E87 PolarHBondContact O-N 2.97Š| ||
| 86 | T | 21.7 | Very low | 27.1 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -50.8 | 113 | 179.1 | 26.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 87 | E | 27.7 | Very low | 27 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -156.9 | 148.5 | 144.2 | -108.1 | 169.6 | -157.4 | 0 | 0 | 109.1 | E85 | E85-E87 PolarHBondContact O-N 2.97Š| ||
| 88 | T | 24 | Very low | 26.5 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -52.6 | 132.8 | -158.4 | 44.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 89 | L | 20.1 | Very low | 26.3 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -62.1 | 137.4 | 175.2 | -72 | 103 | 0 | 0 | 0 | 113.9 | ||||
| 90 | P | 24.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -112.7 | 159.1 | 126.8 | 20.7 | -4.1 | 0 | 0 | 0 | 111.2 | |||||
| 91 | T | 25.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -65.7 | 129.4 | -159 | 44.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 92 | S | 26.7 | Very low | 27.4 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 51.4 | 83.4 | 136 | -170.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 93 | D | 26.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -113.8 | 120.2 | 150.6 | -85.6 | -32.6 | 0 | 0 | 0 | 109.4 | ||||
| 94 | C | 29.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -67.3 | 143.4 | 177.5 | -67.2 | 0 | 0 | 0 | 0 | 111 | A96 | C94-A96 PolarHBondContact O-N 3.49Å; C94-A96 VanDerWaalsContact O-N 3.08Å | ||
| 95 | L | 27.7 | Very low | 27.8 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -61.4 | 102.3 | -170.8 | -65 | 162.6 | 0 | 0 | 0 | 112.4 | F97 | L95-F97 PolarHBondContact O-N 3.37Š| ||
| 96 | A | 28.6 | Very low | 28 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -69.8 | 112.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C94 E98 | C94-A96 PolarHBondContact O-N 3.49Å; C94-A96 VanDerWaalsContact O-N 3.08Å; A96-E98 PolarHBondContact O-N 3.49Å | ||
| 97 | F | 25.8 | Very low | 28.5 | Very low | 196 Ų | 196 | 147 Ų | 147 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -80.6 | 102.6 | 163.6 | -122.6 | -95.9 | 0 | 0 | 0 | 107.4 | L95 D99 | L95-F97 PolarHBondContact O-N 3.37Å; F97-D99 PolarHBondContact O-N 3.48Å | ||
| 98 | E | 24.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -63.7 | 123.3 | 177.1 | -74.3 | -175.5 | 137.2 | 0 | 0 | 110.9 | A96 K103 | A96-E98 PolarHBondContact O-N 3.49Å; E98-K103 IonicContact OE1-NZ 2.96Å; E98-K103 PolarHBondContact OE1-NZ 2.96Å; E98-K103 VanDerWaalsContact OE1-NZ 3.11Å | ||
| 99 | D | 31.5 | Very low | 28.9 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 53% | 0.529 | 78% | 0.782 | S | S | . | * | trans | -63.4 | 127.1 | 169 | -177 | -21 | 0 | 0 | 0 | 109.8 | F97 Y101 | F97-D99 PolarHBondContact O-N 3.48Å; D99-Y101 PolarHBondContact O-N 3.45Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.49Å; D99-Y101 PolarHBondContact OD1-N 2.93Å | ||
| 100 | P | 35.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 5 | 180 | 28.2 | -34.6 | 0 | 0 | 0 | 115.4 | ||
| 101 | Y | 36.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -5.7 | 177.7 | -67 | -72.3 | 0 | 0 | 0 | 116.1 | D99 | D99-Y101 PolarHBondContact O-N 3.45Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.49Å; D99-Y101 PolarHBondContact OD1-N 2.93Å |
| 102 | D | 31.6 | Very low | 30 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -98.8 | 12.5 | -171.9 | -108.3 | 3.6 | 0 | 0 | 0 | 116.5 | ||
| 103 | K | 28.2 | Very low | 30.2 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -128.4 | 75.2 | 167.9 | -78.2 | 176.1 | -178.3 | 152.6 | 0 | 111.5 | E98 | E98-K103 IonicContact OE1-NZ 2.96Å; E98-K103 PolarHBondContact OE1-NZ 2.96Å; E98-K103 VanDerWaalsContact OE1-NZ 3.11Å | ||
| 104 | F | 28.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -99.6 | 84.1 | 155.7 | -91.7 | -85.5 | 0 | 0 | 0 | 108.2 | ||||
| 105 | D | 31.1 | Very low | 30.4 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -79.8 | 125.4 | 162.6 | -99.7 | -35.5 | 0 | 0 | 0 | 108.9 | E107 | D105-E107 PolarHBondContact O-N 3.3Å; D105-E107 VanDerWaalsContact O-N 3.1Å | ||
| 106 | L | 31.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 9.1 | -175.4 | -87.6 | 162.2 | 0 | 0 | 0 | 114.2 | ||
| 107 | E | 31.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -4 | -172.6 | -63.5 | -158.3 | 162.4 | 0 | 0 | 115.9 | D105 F109 | D105-E107 PolarHBondContact O-N 3.3Å; D105-E107 VanDerWaalsContact O-N 3.1Å; E107-F109 PolarHBondContact O-N 3.38Å |
| 108 | D | 32.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 7.3 | 178.7 | -86.9 | -10.7 | 0 | 0 | 0 | 115 | ||
| 109 | F | 28.7 | Very low | 30.3 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 14.1 | 171.7 | -82 | -76.5 | 0 | 0 | 0 | 114.8 | E107 S111 | E107-F109 PolarHBondContact O-N 3.38Å; F109-S111 PolarHBondContact O-N 3.43Å |
| 110 | T | 30 | Very low | 30 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -85 | 90.2 | 166.2 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 111 | S | 31.6 | Very low | 29.4 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 129.7 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 111 | F109 | F109-S111 PolarHBondContact O-N 3.43Š|
| 112 | P | 31.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 146.6 | 177.7 | 24.7 | -31.4 | 0 | 0 | 0 | 110.6 | ||
| 113 | P | 31.5 | Very low | 28.5 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146.1 | -173.4 | 26 | -32.7 | 0 | 0 | 0 | 111.6 | K115 | P113-K115 PolarHBondContact O-N 2.58Š|
| 114 | P | 30.7 | Very low | 28.5 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 116.8 | -170 | 27 | -32.8 | 0 | 0 | 0 | 110.9 | K116 | P114-K116 PolarHBondContact O-N 3.03Š|
| 115 | K | 28.6 | Very low | 28.3 | Very low | 193 Ų | 193 | 148 Ų | 148 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 112.6 | 164.7 | -77.2 | -177.3 | 177.9 | 176.7 | 0 | 108.2 | P113 V117 | P113-K115 PolarHBondContact O-N 2.58Å; K115-V117 PolarHBondContact O-N 3.4Å | ||
| 116 | K | 23.8 | Very low | 28.1 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -55.2 | 120.5 | 167.5 | -70.4 | 178.8 | 175.2 | -177.7 | 0 | 108.9 | P114 | P114-K116 PolarHBondContact O-N 3.03Š| ||
| 117 | V | 30 | Very low | 27.7 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 70% | 0.697 | 81% | 0.811 | S | S | * | * | trans | -129.4 | 101.8 | 164.5 | -171.5 | 0 | 0 | 0 | 0 | 106.1 | K115 F119 | K115-V117 PolarHBondContact O-N 3.4Å; V117-F119 HydrophobicContact CG1-CD2 4.15Å | ||
| 118 | D | 23 | Very low | 27.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -66.6 | 130.1 | 169.2 | -69.3 | -44.6 | 0 | 0 | 0 | 108.4 | ||||
| 119 | F | 28.3 | Very low | 27.3 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -128.7 | 99.5 | 169.2 | -121.1 | -90.5 | 0 | 0 | 0 | 109.3 | V117 | V117-F119 HydrophobicContact CG1-CD2 4.15Š| ||
| 120 | D | 25.2 | Very low | 27.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -68.2 | 132.9 | 173.3 | -111.9 | -27.5 | 0 | 0 | 0 | 110.7 | T122 | D120-T122 PolarHBondContact O-N 2.99Š| ||
| 121 | L | 23.6 | Very low | 27.2 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -81.9 | 104.7 | 174.9 | -79.7 | 154.4 | 0 | 0 | 0 | 109.4 | ||||
| 122 | T | 25.6 | Very low | 26.9 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -138 | 132.8 | 156.4 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | D120 | D120-T122 PolarHBondContact O-N 2.99Š| ||
| 123 | T | 23.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | -51.4 | 141.2 | 172.5 | 46 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 124 | N | 27.2 | Very low | 26.7 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | 178.5 | 152.6 | 115.7 | -90.1 | -27.9 | 0 | 0 | 0 | 113.5 | |||||
| 125 | A | 25.1 | Very low | 26.5 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | trans | -63.2 | 154.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 126 | G | 27 | Very low | 26.5 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 166.6 | 105.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 127 | E | 22.8 | Very low | 27 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -58.9 | 128.3 | 177.5 | -60.6 | 163.5 | 151.6 | 0 | 0 | 112.6 | ||||
| 128 | N | 28.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | -179.4 | 120.2 | 133.9 | -96.5 | -34.9 | 0 | 0 | 0 | 109.9 | L130 | N128-L130 PolarHBondContact O-N 3.41Š| ||
| 129 | E | 27.1 | Very low | 27.3 | Very low | 205 Ų | 205 | 150.6 Ų | 150.6 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -60.9 | 94.5 | 175.3 | -67.5 | 175.2 | 146 | 0 | 0 | 110.9 | ||||
| 130 | L | 27.4 | Very low | 27.7 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -107.5 | 113 | 161.9 | -80.5 | 164.8 | 0 | 0 | 0 | 107.7 | N128 E132 | N128-L130 PolarHBondContact O-N 3.41Å; L130-E132 PolarHBondContact O-N 3.43Å | ||
| 131 | L | 28.6 | Very low | 28.6 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -37.5 | 110 | 172 | -75.1 | 149.7 | 0 | 0 | 0 | 110.8 | S133 | L131-S133 PolarHBondContact O-N 3.38Š| ||
| 132 | E | 26.5 | Very low | 30.3 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -55.9 | 109.1 | 176.9 | -75.7 | 178 | 153.9 | 0 | 0 | 110.2 | L130 V134 | L130-E132 PolarHBondContact O-N 3.43Å; E132-V134 PolarHBondContact O-N 2.73Å | ||
| 133 | S | 25.9 | Very low | 33 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -68 | 109.1 | 168.6 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | L131 | L131-S133 PolarHBondContact O-N 3.38Š| ||
| 134 | V | 31.9 | Very low | 36.1 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | trans | -58.4 | 133.6 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | E132 I136 | E132-V134 PolarHBondContact O-N 2.73Å; V134-I136 PolarHBondContact O-N 2.83Å | ||
| 135 | P | 27.4 | Very low | 39.3 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -59.8 | 130 | -177.1 | -20.7 | 31.3 | 0 | 0 | 0 | 111.8 | E137 | P135-E137 PolarHBondContact O-N 3.28Š| ||
| 136 | I | 28.8 | Very low | 42.7 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | trans | -76.2 | 89.3 | 175.3 | -56.7 | 169.9 | 0 | 0 | 0 | 107.1 | V134 T139 | V134-I136 PolarHBondContact O-N 2.83Å; I136-T139 HydrophobicContact CG2-CG2 4.32Å | ||
| 137 | E | 32.9 | Very low | 46.1 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 63% | 0.634 | S | S | * | * | trans | -59.1 | 141.9 | 161.4 | -75.3 | 177.2 | 167.9 | 0 | 0 | 109.2 | P135 T139 | P135-E137 PolarHBondContact O-N 3.28Å; E137-T139 PolarHBondContact O-N 3.2Å | ||
| 138 | Q | 29.8 | Very low | 49.7 | Very low | 190 Ų | 190 | 115 Ų | 115 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | trans | -34.8 | 121.2 | -173.7 | -66.8 | 164.2 | -14.4 | 0 | 0 | 112.8 | E140 | Q138-E140 PolarHBondContact O-N 3.34Š| ||
| 139 | T | 30 | Very low | 53 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | trans | -63.2 | 89.7 | -170.5 | 34 | 0 | 0 | 0 | 0 | 113.2 | I136 E137 | I136-T139 HydrophobicContact CG2-CG2 4.32Å; E137-T139 PolarHBondContact O-N 3.2Å | ||
| 140 | E | 38.1 | Very low | 56.4 | Low | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | trans | -70.2 | 121.3 | 151.8 | -76.7 | -173.3 | 158.9 | 0 | 0 | 108.9 | Q138 Y142 | Q138-E140 PolarHBondContact O-N 3.34Å; E140-Y142 HydrophobicContact CB-CD2 4.38Å; E140-Y142 HydrophobicContact CB-CE2 3.74Å; E140-Y142 WeakPolarHBondContact O-CD2 3.28Å; E140-Y142 PolarHBondContact O-N 3.32Å; E140-Y142 VanDerWaalsContact O-N 3.08Å; E140-Y142 VanDerWaalsContact OE2-CZ 3.26Å; E140-Y142 PolarHBondContact OE2-OH 2.87Å | ||
| 141 | Y | 42.7 | Very low | 59.5 | Low | 198 Ų | 198 | 90.7 Ų | 90.7 | 78% | 0.776 | 47% | 0.47 | S | S | * | . | trans | -69.3 | 100.2 | 179.2 | -60.3 | -92.2 | 0 | 0 | 0 | 110.5 | ||||
| 142 | Y | 60.2 | Low | 62.4 | Low | 68 Ų | 68 | 86.2 Ų | 86.2 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 128 | 174.9 | -65.8 | -77.3 | 0 | 0 | 0 | 111.7 | E140 N299 | E140-Y142 HydrophobicContact CB-CD2 4.38Å; E140-Y142 HydrophobicContact CB-CE2 3.74Å; E140-Y142 WeakPolarHBondContact O-CD2 3.28Å; E140-Y142 PolarHBondContact O-N 3.32Å; E140-Y142 VanDerWaalsContact O-N 3.08Å; E140-Y142 VanDerWaalsContact OE2-CZ 3.26Å; E140-Y142 PolarHBondContact OE2-OH 2.87Å; Y142-N299 HydrophobicContact CD1-CB 4.44Å; Y142-N299 WeakPolarHBondContact CD1-ND2 3.31Å |
| 143 | S | 81.9 | Confident | 65.2 | Low | 84 Ų | 84 | 80 Ų | 80 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 160 | 163 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | P145 | S143-P145 VanDerWaalsContact O-CD 3.26Å; S143-P145 WeakPolarHBondContact O-CD 3.32Å |
| 144 | V | 89.2 | Confident | 68 | Low | 18 Ų | 18 | 76.1 Ų | 76.1 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 122.4 | 173.3 | 180 | 0 | 0 | 0 | 0 | 109.1 | Q58 E62 L65 K146 | Q58-V144 HydrophobicContact CG-CG1 3.69Å; E62-V144 HydrophobicContact CB-CG1 4.45Å; E62-V144 HydrophobicContact CB-CG2 4.03Å; E62-V144 HydrophobicContact CG-CG2 3.94Å; L65-V144 HydrophobicContact CD1-CG2 3.55Å; V144-K146 PolarHBondContact O-N 3.35Å |
| 145 | P | 94.6 | Very high | 70.4 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.013 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 126.9 | 179.6 | -33.1 | 41.6 | 0 | 0 | 0 | 112.4 | W57 Q58 Y61 S143 N299 V301 | W57-P145 HydrophobicContact CH2-CB 4.05Å; W57-P145 HydrophobicContact CH2-CG 3.85Å; W57-P145 HydrophobicContact CZ3-CB 4.01Å; W57-P145 HydrophobicContact CZ3-CG 4.22Å; Q58-P145 PolarHBondContact NE2-O 3.35Å; Y61-P145 HydrophobicContact CD1-CG 4.41Å; Y61-P145 VanDerWaalsContact CE1-CD 3.41Å; Y61-P145 HydrophobicContact CE1-CG 4.15Å; S143-P145 VanDerWaalsContact O-CD 3.26Å; S143-P145 WeakPolarHBondContact O-CD 3.32Å; P145-N299 VanDerWaalsContact CB-O 3.27Å; P145-N299 WeakPolarHBondContact CB-O 3.27Å; P145-V301 HydrophobicContact CB-CG2 4.48Å |
| 146 | K | 96.5 | Very high | 73.2 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 141.3 | 169.7 | -72.5 | -177.6 | 171 | -169.4 | 0 | 110.3 | V144 F148 Y271 R272 A274 I277 S300 V301 | V144-K146 PolarHBondContact O-N 3.35Å; K146-F148 HydrophobicContact CB-CE2 4.39Å; K146-Y271 PolarHBondContact NZ-O 3.42Å; K146-R272 PolarHBondContact NZ-O 3.02Å; K146-A274 WeakPolarHBondContact CE-O 3.41Å; K146-I277 HydrophobicContact CB-CD1 3.77Å; K146-I277 HydrophobicContact CD-CD1 3.85Å; K146-I277 HydrophobicContact CG-CD1 4.08Å; K146-S300 WeakPolarHBondContact O-CA 3.41Å; K146-S300 WeakPolarHBondContact O-CB 3.26Å; K146-V301 PolarHBondContact O-N 3.29Å |
| 147 | I | 98.2 | Very high | 76.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.5 | 174 | -62.9 | 165.4 | 0 | 0 | 0 | 108.6 | A54 L55 Q58 K275 V276 I277 V301 I303 | A54-I147 HydrophobicContact CB-CD1 3.93Å; A54-I147 HydrophobicContact CB-CG2 4.38Å; A54-I147 WeakPolarHBondContact O-CD1 3.02Å; L55-I147 HydrophobicContact CD2-CD1 4.06Å; Q58-I147 HydrophobicContact CB-CD1 3.79Å; Q58-I147 HydrophobicContact CG-CD1 4.31Å; I147-K275 PolarHBondContact N-O 3.46Å; I147-V276 HydrophobicContact CB-CG2 4.3Å; I147-V276 HydrophobicContact CG2-CG2 4.21Å; I147-V276 CarbonylContact O-C 3.53Å; I147-V276 WeakPolarHBondContact O-CA 3.22Å; I147-I277 PolarHBondContact O-N 2.8Å; I147-V301 CarbonylContact C-O 3.59Å; I147-V301 WeakPolarHBondContact CA-O 3.48Å; I147-V301 HydrophobicContact CG1-CB 4.13Å; I147-V301 HydrophobicContact CG1-CG1 4.47Å; I147-I303 HydrophobicContact CG2-CD1 4.34Å |
| 148 | F | 98.3 | Very high | 78.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.2 | 165 | -67.9 | -92.5 | 0 | 0 | 0 | 108.8 | K146 Y271 I277 L284 I295 L297 V301 V302 I303 | K146-F148 HydrophobicContact CB-CE2 4.39Å; F148-Y271 HydrophobicContact CE1-CE2 4.08Å; F148-Y271 HydrophobicContact CZ-CE2 4.16Å; F148-I277 CarbonylContact C-O 3.54Å; F148-I277 WeakPolarHBondContact CA-O 3.34Å; F148-I277 HydrophobicContact CD1-CB 3.9Å; F148-I277 HydrophobicContact CD1-CG2 3.88Å; F148-I277 HydrophobicContact CE1-CB 4.09Å; F148-I277 HydrophobicContact CE1-CD1 4.24Å; F148-I277 HydrophobicContact CE1-CG1 4.45Å; F148-I277 HydrophobicContact CE1-CG2 3.92Å; F148-I277 HydrophobicContact CE2-CD1 4.49Å; F148-I277 HydrophobicContact CZ-CD1 4.22Å; F148-L284 HydrophobicContact CB-CD1 3.95Å; F148-L284 HydrophobicContact CD1-CD1 4.5Å; F148-L284 HydrophobicContact CD1-CD2 3.93Å; F148-L284 HydrophobicContact CE1-CD2 4.3Å; F148-L284 HydrophobicContact CG-CD1 4.33Å; F148-L284 HydrophobicContact CG-CD2 4.48Å; F148-I295 HydrophobicContact CE1-CG2 3.7Å; F148-I295 HydrophobicContact CZ-CG2 3.78Å; F148-L297 HydrophobicContact CD2-CD2 3.85Å; F148-L297 HydrophobicContact CE2-CD2 3.79Å; F148-L297 HydrophobicContact CG-CD2 4.3Å; F148-L297 HydrophobicContact CZ-CD2 4.2Å; F148-V301 PolarHBondContact N-O 3.09Å; F148-V302 HydrophobicContact CB-CG2 4.42Å; F148-I303 PolarHBondContact O-N 2.89Å |
| 149 | F | 98.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.6 | 176.8 | -156.1 | -60.7 | 0 | 0 | 0 | 109.9 | L50 L51 L160 V276 I277 F278 C279 I303 D305 | L50-F149 HydrophobicContact CB-CE2 3.8Å; L50-F149 HydrophobicContact CB-CZ 3.74Å; L50-F149 HydrophobicContact CD1-CZ 4.24Å; L51-F149 HydrophobicContact CB-CE2 4.23Å; L51-F149 HydrophobicContact CD2-CD2 3.35Å; L51-F149 HydrophobicContact CD2-CE2 3.46Å; L51-F149 VanDerWaalsContact CD2-CE2 3.46Å; L51-F149 HydrophobicContact CD2-CG 3.93Å; L51-F149 HydrophobicContact CD2-CZ 4.12Å; L51-F149 HydrophobicContact CG-CD2 3.95Å; L51-F149 HydrophobicContact CG-CE2 3.48Å; L51-F149 VanDerWaalsContact CG-CE2 3.48Å; L51-F149 HydrophobicContact CG-CZ 3.84Å; F149-L160 HydrophobicContact CD1-CD1 3.57Å; F149-L160 HydrophobicContact CD1-CD2 4.4Å; F149-L160 HydrophobicContact CE1-CD1 3.61Å; F149-L160 HydrophobicContact CE1-CD2 3.67Å; F149-L160 HydrophobicContact CE1-CG 4.24Å; F149-L160 HydrophobicContact CZ-CD2 4.36Å; F149-V276 HydrophobicContact CB-CG2 4.29Å; F149-I277 PolarHBondContact N-O 3.14Å; F149-F278 HydrophobicContact CB-CD1 3.97Å; F149-F278 HydrophobicContact CB-CE1 3.89Å; F149-F278 HydrophobicContact CD1-CE1 4.29Å; F149-F278 HydrophobicContact CG-CD1 4.49Å; F149-F278 HydrophobicContact CG-CE1 4.12Å; F149-F278 VanDerWaalsContact O-CA 3.32Å; F149-F278 WeakPolarHBondContact O-CA 2.72Å; F149-C279 PolarHBondContact O-N 3.4Å; F149-I303 HydrophobicContact CD2-CB 4.02Å; F149-I303 HydrophobicContact CD2-CD1 4.12Å; F149-I303 HydrophobicContact CD2-CG2 4.02Å; F149-I303 HydrophobicContact CE1-CG2 4.31Å; F149-I303 HydrophobicContact CE2-CB 4.2Å; F149-I303 HydrophobicContact CE2-CD1 4.18Å; F149-I303 HydrophobicContact CE2-CG2 3.68Å; F149-I303 HydrophobicContact CG-CB 4.36Å; F149-I303 HydrophobicContact CG-CG2 4.48Å; F149-I303 HydrophobicContact CZ-CG2 3.86Å; F149-D305 HydrophobicContact CE1-CB 4.09Å |
| 150 | C | 97 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 153.2 | -166.3 | -49 | 0 | 0 | 0 | 0 | 112.8 | C279 L284 I303 I304 D305 | C150-C279 WeakPolarHBondContact CA-O 3.34Å; C150-C279 VanDerWaalsContact CB-O 3.29Å; C150-C279 WeakPolarHBondContact CB-O 3.32Å; C150-L284 WeakPolarHBondContact SG-CD1 3.35Å; C150-I303 PolarHBondContact N-O 2.96Å; C150-I304 HydrophobicContact CB-CG1 4.29Å; C150-D305 PolarHBondContact O-N 3.21Å |
| 151 | S | 93.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | -178.2 | 167.4 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | Q156 C279 P280 Y281 | S151-Q156 VanDerWaalsContact OG-CB 3.27Å; S151-Q156 WeakPolarHBondContact OG-CB 3.21Å; S151-Q156 PolarHBondContact OG-OE1 3.21Å; S151-C279 PolarHBondContact N-O 2.88Å; S151-P280 CarbonylContact O-C 3.55Å; S151-P280 VanDerWaalsContact O-CA 3.29Å; S151-P280 WeakPolarHBondContact O-CA 3.44Å; S151-Y281 WeakPolarHBondContact O-CD1 3.5Å; S151-Y281 PolarHBondContact O-N 2.9Å |
| 152 | R | 88.2 | Confident | 89.5 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -75.6 | -35.3 | -174.8 | -175.3 | 178.6 | -175 | -160.9 | 0.9 | 112.8 | Q156 Y281 N309 E687 | R152-Q156 VanDerWaalsContact CB-OE1 3.24Å; R152-Y281 HydrophobicContact CB-CE1 3.55Å; R152-Y281 WeakPolarHBondContact CB-OH 3.12Å; R152-Y281 HydrophobicContact CG-CE1 4.24Å; R152-Y281 VanDerWaalsContact CG-OH 3.28Å; R152-Y281 WeakPolarHBondContact CG-OH 3.47Å; R152-N309 PolarHBondContact NH1-ND2 3.11Å; R152-N309 PolarHBondContact NH2-ND2 2.89Å; R152-E687 IonicContact CZ-OE1 3.12Å; R152-E687 IonicContact NH1-OE1 3.75Å; R152-E687 PolarHBondContact NH1-OE1 3.44Å; R152-E687 IonicContact NH1-OE2 2.65Å; R152-E687 PolarHBondContact NH1-OE2 3.35Å |
| 153 | T | 86.3 | Confident | 91 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -138.4 | 155.5 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | R155 Q156 L157 | T153-R155 PolarHBondContact O-N 3.14Å; T153-Q156 WeakPolarHBondContact O-CB 3.32Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.41Å; T153-Q156 PolarHBondContact OG1-N 3.36Å; T153-Q156 PolarHBondContact OG1-OE1 3.01Å; T153-L157 PolarHBondContact O-N 3.44Å |
| 154 | H | 83.7 | Confident | 91.5 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -35.2 | 174 | -78.3 | -71.1 | 0 | 0 | 0 | 113.1 | Q156 L157 S158 L177 H182 I248 | H154-Q156 VanDerWaalsContact C-N 3.3Å; H154-Q156 PolarHBondContact O-N 2.84Å; H154-L157 WeakPolarHBondContact O-CB 3.46Å; H154-L157 PolarHBondContact O-N 3.31Å; H154-L157 VanDerWaalsContact O-N 3.13Å; H154-S158 PolarHBondContact O-N 3.05Å; H154-S158 PolarHBondContact O-OG 3.02Å; H154-L177 PolarHBondContact CE1-O 2.86Å; H154-H182 AromaticContact CD2-CD2 3.5Å; H154-H182 AromaticContact CD2-NE2 3.39Å; H154-H182 PolarHBondContact CD2-NE2 3.4Å; H154-H182 AromaticContact NE2-CD2 3.58Å; H154-H182 AromaticContact NE2-NE2 3.91Å; H154-I248 WeakPolarHBondContact ND1-CD1 3.22Å |
| 155 | R | 82.4 | Confident | 91.6 | Very high | 216 Ų | 216 | 41 Ų | 41 | 82% | 0.815 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -59.9 | -38.8 | 174.3 | -70.9 | -175.5 | -177.6 | 176.7 | -0.3 | 112.5 | T153 Q159 | T153-R155 PolarHBondContact O-N 3.14Å; R155-Q159 WeakPolarHBondContact O-CG 3.25Å; R155-Q159 PolarHBondContact O-N 3.17Å |
| 156 | Q | 86.6 | Confident | 91.3 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.5 | -34.1 | 175.4 | -70.1 | 162.7 | -43.8 | 0 | 0 | 111.9 | S151 R152 T153 H154 S158 Q159 L160 | S151-Q156 VanDerWaalsContact OG-CB 3.27Å; S151-Q156 WeakPolarHBondContact OG-CB 3.21Å; S151-Q156 PolarHBondContact OG-OE1 3.21Å; R152-Q156 VanDerWaalsContact CB-OE1 3.24Å; T153-Q156 WeakPolarHBondContact O-CB 3.32Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.41Å; T153-Q156 PolarHBondContact OG1-N 3.36Å; T153-Q156 PolarHBondContact OG1-OE1 3.01Å; H154-Q156 VanDerWaalsContact C-N 3.3Å; H154-Q156 PolarHBondContact O-N 2.84Å; Q156-S158 VanDerWaalsContact C-N 3.31Å; Q156-S158 PolarHBondContact O-N 3.3Å; Q156-Q159 WeakPolarHBondContact O-CA 3.48Å; Q156-Q159 VanDerWaalsContact O-CB 3.28Å; Q156-Q159 WeakPolarHBondContact O-CB 3.32Å; Q156-Q159 PolarHBondContact O-N 3.41Å; Q156-L160 PolarHBondContact O-N 3.3Å |
| 157 | L | 91 | Very high | 91 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 172.4 | -61.4 | 179.7 | 0 | 0 | 0 | 111.3 | T153 H154 Q159 L160 V161 I176 P280 | T153-L157 PolarHBondContact O-N 3.44Å; H154-L157 WeakPolarHBondContact O-CB 3.46Å; H154-L157 PolarHBondContact O-N 3.31Å; H154-L157 VanDerWaalsContact O-N 3.13Å; L157-Q159 PolarHBondContact O-N 3.4Å; L157-L160 HydrophobicContact CD2-CD1 4.02Å; L157-L160 WeakPolarHBondContact O-CA 3.44Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.11Å; L157-V161 WeakPolarHBondContact O-CG2 3.39Å; L157-V161 PolarHBondContact O-N 2.98Å; L157-I176 HydrophobicContact CD1-CG2 4.44Å; L157-P280 HydrophobicContact CD1-CG 4.1Å |
| 158 | S | 89.8 | Confident | 90.6 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.3 | -31.8 | 173.4 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | H154 Q156 R162 | H154-S158 PolarHBondContact O-N 3.05Å; H154-S158 PolarHBondContact O-OG 3.02Å; Q156-S158 VanDerWaalsContact C-N 3.31Å; Q156-S158 PolarHBondContact O-N 3.3Å; S158-R162 WeakPolarHBondContact O-CG 3.29Å; S158-R162 PolarHBondContact O-N 3.23Å; S158-R162 VanDerWaalsContact O-N 3.16Å |
| 159 | Q | 88.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -43.4 | 172.4 | -53.4 | -176.1 | -19.2 | 0 | 0 | 111.7 | R155 Q156 L157 R162 E163 | R155-Q159 WeakPolarHBondContact O-CG 3.25Å; R155-Q159 PolarHBondContact O-N 3.17Å; Q156-Q159 WeakPolarHBondContact O-CA 3.48Å; Q156-Q159 VanDerWaalsContact O-CB 3.28Å; Q156-Q159 WeakPolarHBondContact O-CB 3.32Å; Q156-Q159 PolarHBondContact O-N 3.41Å; L157-Q159 PolarHBondContact O-N 3.4Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 3.33Å; Q159-E163 PolarHBondContact O-N 3.48Å |
| 160 | L | 92.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 177 | -64.2 | 177.1 | 0 | 0 | 0 | 112.6 | S47 F149 Q156 L157 R162 E163 L164 F278 | S47-L160 VanDerWaalsContact CB-CD2 3.5Å; F149-L160 HydrophobicContact CD1-CD1 3.57Å; F149-L160 HydrophobicContact CD1-CD2 4.4Å; F149-L160 HydrophobicContact CE1-CD1 3.61Å; F149-L160 HydrophobicContact CE1-CD2 3.67Å; F149-L160 HydrophobicContact CE1-CG 4.24Å; F149-L160 HydrophobicContact CZ-CD2 4.36Å; Q156-L160 PolarHBondContact O-N 3.3Å; L157-L160 HydrophobicContact CD2-CD1 4.02Å; L157-L160 WeakPolarHBondContact O-CA 3.44Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.11Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.22Å; L160-E163 PolarHBondContact O-N 2.94Å; L160-E163 VanDerWaalsContact O-N 3.12Å; L160-L164 PolarHBondContact O-N 3.23Å; L160-F278 HydrophobicContact CB-CD1 4.26Å; L160-F278 HydrophobicContact CB-CE1 4.01Å; L160-F278 HydrophobicContact CD1-CD1 4.43Å |
| 161 | V | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L157 E163 L164 R165 M174 I176 V245 W246 D247 | L157-V161 WeakPolarHBondContact O-CG2 3.39Å; L157-V161 PolarHBondContact O-N 2.98Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 2.72Å; V161-L164 WeakPolarHBondContact O-CB 3.47Å; V161-L164 PolarHBondContact O-N 3.27Å; V161-R165 WeakPolarHBondContact O-CG 3.34Å; V161-R165 PolarHBondContact O-N 3.49Å; V161-M174 HydrophobicContact CG2-CE 4.34Å; V161-I176 HydrophobicContact CG2-CD1 3.72Å; V161-I176 HydrophobicContact CG2-CG1 4.4Å; V161-V245 HydrophobicContact CG1-CG1 3.77Å; V161-W246 WeakPolarHBondContact CG1-O 3.49Å; V161-D247 HydrophobicContact CG1-CB 4.22Å |
| 162 | R | 90.3 | Very high | 89.3 | Confident | 137 Ų | 137 | 54 Ų | 54 | 52% | 0.517 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 173.3 | -71.6 | -175.7 | -56.1 | 177.6 | 7.6 | 112.9 | S158 Q159 L160 R165 K166 | S158-R162 WeakPolarHBondContact O-CG 3.29Å; S158-R162 PolarHBondContact O-N 3.23Å; S158-R162 VanDerWaalsContact O-N 3.16Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 3.33Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.22Å; R162-R165 PolarHBondContact O-N 3.23Å; R162-K166 WeakPolarHBondContact O-CG 3.48Å; R162-K166 PolarHBondContact O-N 2.88Å |
| 163 | E | 90.8 | Very high | 89.5 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71 | -35.8 | 174 | -67.3 | -55.2 | 128.1 | 0 | 0 | 112.1 | L48 L51 Q159 L160 V161 K166 S167 | L48-E163 WeakPolarHBondContact CD1-O 3.41Å; L51-E163 HydrophobicContact CD1-CB 4.15Å; Q159-E163 PolarHBondContact O-N 3.48Å; L160-E163 PolarHBondContact O-N 2.94Å; L160-E163 VanDerWaalsContact O-N 3.12Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 2.72Å; E163-K166 PolarHBondContact O-N 3.05Å; E163-K166 IonicContact OE1-NZ 3.67Å; E163-K166 PolarHBondContact OE1-NZ 2.89Å; E163-S167 PolarHBondContact O-N 2.94Å |
| 164 | L | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 171.7 | -178.7 | 63.8 | 0 | 0 | 0 | 111.4 | L51 L55 L160 V161 K166 S167 I172 M174 V245 F278 | L51-L164 HydrophobicContact CD1-CB 4.37Å; L55-L164 HydrophobicContact CD1-CD1 3.67Å; L160-L164 PolarHBondContact O-N 3.23Å; V161-L164 WeakPolarHBondContact O-CB 3.47Å; V161-L164 PolarHBondContact O-N 3.27Å; L164-K166 PolarHBondContact O-N 3.34Å; L164-S167 VanDerWaalsContact O-CB 3.32Å; L164-S167 WeakPolarHBondContact O-CB 3.38Å; L164-S167 PolarHBondContact O-N 2.93Å; L164-S167 PolarHBondContact O-OG 3Å; L164-I172 HydrophobicContact CD1-CG2 4.13Å; L164-I172 HydrophobicContact CD2-CG2 4Å; L164-M174 HydrophobicContact CD2-SD 3.54Å; L164-M174 VanDerWaalsContact CD2-SD 3.54Å; L164-V245 HydrophobicContact CB-CG1 4.27Å; L164-V245 HydrophobicContact CD2-CG1 3.93Å; L164-V245 HydrophobicContact CD2-CG2 4.02Å; L164-V245 HydrophobicContact CG-CG1 4.1Å; L164-V245 HydrophobicContact CG-CG2 3.94Å; L164-F278 HydrophobicContact CD2-CE2 3.81Å; L164-F278 HydrophobicContact CD2-CZ 3.87Å |
| 165 | R | 90.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.9 | -31.6 | 174.6 | -73.9 | -179.7 | 179.1 | 147.1 | -0.4 | 113.3 | V161 R162 V245 D247 D250 | V161-R165 WeakPolarHBondContact O-CG 3.34Å; V161-R165 PolarHBondContact O-N 3.49Å; R162-R165 PolarHBondContact O-N 3.23Å; R165-V245 HydrophobicContact CB-CG1 4.47Å; R165-V245 HydrophobicContact CG-CB 3.7Å; R165-V245 HydrophobicContact CG-CG1 3.4Å; R165-V245 PolarHBondContact NE-O 3.05Å; R165-V245 PolarHBondContact NH2-O 2.99Å; R165-V245 VanDerWaalsContact NH2-O 3.11Å; R165-D247 IonicContact CZ-OD2 2.73Å; R165-D247 IonicContact NH1-OD2 3.77Å; R165-D247 PolarHBondContact NH1-OD2 2.74Å; R165-D247 VanDerWaalsContact NH2-N 3.18Å; R165-D247 IonicContact NH2-OD2 3.11Å; R165-D247 PolarHBondContact NH2-OD2 2.82Å; R165-D250 IonicContact CZ-OD2 2.61Å; R165-D250 IonicContact NH2-OD2 3.93Å; R165-D250 PolarHBondContact NH2-OD2 3.31Å |
| 166 | K | 88.3 | Confident | 91 | Very high | 125 Ų | 125 | 36.8 Ų | 36.8 | 54% | 0.543 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12.8 | 177.7 | -66.4 | 171.8 | -171.2 | 169.5 | 0 | 113.5 | P12 R162 E163 L164 | P12-K166 VanDerWaalsContact CB-O 3.28Å; P12-K166 WeakPolarHBondContact CB-O 3.48Å; P12-K166 WeakPolarHBondContact CG-O 3.43Å; R162-K166 WeakPolarHBondContact O-CG 3.48Å; R162-K166 PolarHBondContact O-N 2.88Å; E163-K166 PolarHBondContact O-N 3.05Å; E163-K166 IonicContact OE1-NZ 3.67Å; E163-K166 PolarHBondContact OE1-NZ 2.89Å; L164-K166 PolarHBondContact O-N 3.34Å |
| 167 | S | 90.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -79.8 | 173.4 | -176.4 | 82.2 | 0 | 0 | 0 | 0 | 111.7 | E163 L164 Y169 T170 | E163-S167 PolarHBondContact O-N 2.94Å; L164-S167 VanDerWaalsContact O-CB 3.32Å; L164-S167 WeakPolarHBondContact O-CB 3.38Å; L164-S167 PolarHBondContact O-N 2.93Å; L164-S167 PolarHBondContact O-OG 3Å; S167-Y169 PolarHBondContact O-N 3.34Å; S167-Y169 PolarHBondContact OG-N 3.21Å; S167-Y169 VanDerWaalsContact OG-N 3.14Å; S167-T170 WeakPolarHBondContact O-CG2 3.35Å |
| 168 | C | 89.2 | Confident | 91.4 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -86.3 | 11.6 | 172.2 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | N10 | N10-C168 HydrophobicContact CB-CB 3.72Š|
| 169 | Y | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | trans | -115.9 | 38.3 | -175.4 | -54.3 | -85.2 | 0 | 0 | 0 | 111.2 | N10 C52 L55 A56 S167 D171 I172 | N10-Y169 HydrophobicContact CB-CE2 4.39Å; N10-Y169 PolarHBondContact N-OH 2.73Å; N10-Y169 VanDerWaalsContact O-CE2 3.32Å; N10-Y169 WeakPolarHBondContact O-CE2 3.25Å; C52-Y169 HydrophobicContact CB-CE2 3.91Å; L55-Y169 HydrophobicContact CB-CD1 3.89Å; L55-Y169 HydrophobicContact CB-CD2 4.24Å; L55-Y169 HydrophobicContact CB-CE1 4.16Å; L55-Y169 HydrophobicContact CB-CE2 4.49Å; L55-Y169 HydrophobicContact CB-CG 3.95Å; L55-Y169 HydrophobicContact CD1-CD2 4.02Å; L55-Y169 HydrophobicContact CD1-CG 3.79Å; A56-Y169 WeakPolarHBondContact CB-OH 3.49Å; S167-Y169 PolarHBondContact O-N 3.34Å; S167-Y169 PolarHBondContact OG-N 3.21Å; S167-Y169 VanDerWaalsContact OG-N 3.14Å; Y169-D171 PolarHBondContact O-N 3.39Å; Y169-I172 WeakPolarHBondContact O-CG2 3.4Å; Y169-I172 PolarHBondContact O-N 3.21Å | ||
| 170 | T | 89.3 | Confident | 91.5 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.4 | -176.1 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | S167 F244 V245 | S167-T170 WeakPolarHBondContact O-CG2 3.35Å; T170-F244 CarbonylContact O-C 3.57Å; T170-F244 WeakPolarHBondContact O-CA 3.22Å; T170-F244 WeakPolarHBondContact O-CB 3.45Å; T170-F244 PolarHBondContact O-N 3.26Å; T170-V245 HydrophobicContact CG2-CG2 4.4Å |
| 171 | D | 88.5 | Confident | 91.3 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.1 | 177.5 | 63.7 | -36.2 | 0 | 0 | 0 | 113.1 | Y169 S173 | Y169-D171 PolarHBondContact O-N 3.39Å; D171-S173 PolarHBondContact O-N 2.96Å |
| 172 | I | 91.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | trans | -68 | 128.8 | -179.2 | -165.1 | 81.4 | 0 | 0 | 0 | 111.1 | L55 L164 Y169 M174 K275 V276 | L55-I172 HydrophobicContact CD2-CD1 3.94Å; L55-I172 HydrophobicContact CD2-CG1 3.97Å; L164-I172 HydrophobicContact CD1-CG2 4.13Å; L164-I172 HydrophobicContact CD2-CG2 4Å; Y169-I172 WeakPolarHBondContact O-CG2 3.4Å; Y169-I172 PolarHBondContact O-N 3.21Å; I172-M174 PolarHBondContact O-N 3.21Å; I172-K275 HydrophobicContact CD1-CB 3.94Å; I172-K275 HydrophobicContact CD1-CD 3.97Å; I172-K275 HydrophobicContact CG1-CB 4.18Å; I172-V276 HydrophobicContact CG1-CG1 3.94Å; I172-V276 HydrophobicContact CG2-CG1 3.98Å | ||
| 173 | S | 91.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | trans | -64.9 | 115.9 | 169 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | D171 Y273 K275 V276 | D171-S173 PolarHBondContact O-N 2.96Å; S173-Y273 PolarHBondContact OG-O 2.96Å; S173-K275 PolarHBondContact O-N 2.96Å; S173-K275 VanDerWaalsContact OG-CG 3.31Å; S173-K275 WeakPolarHBondContact OG-CG 3.29Å; S173-K275 PolarHBondContact OG-N 3.48Å; S173-V276 PolarHBondContact O-N 2.99Å | ||
| 174 | M | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 167.7 | -175.3 | 64.2 | 166.5 | -82.8 | 0 | 0 | 113.7 | V161 L164 I172 I176 V245 W246 V276 F278 | V161-M174 HydrophobicContact CG2-CE 4.34Å; L164-M174 HydrophobicContact CD2-SD 3.54Å; L164-M174 VanDerWaalsContact CD2-SD 3.54Å; I172-M174 PolarHBondContact O-N 3.21Å; M174-I176 HydrophobicContact CE-CD1 4.07Å; M174-I176 HydrophobicContact CE-CG1 3.74Å; M174-V245 HydrophobicContact SD-CB 4.32Å; M174-V245 HydrophobicContact SD-CG1 3.81Å; M174-W246 WeakPolarHBondContact CE-O 3.46Å; M174-W246 HydrophobicContact CG-CD2 4.48Å; M174-W246 HydrophobicContact CG-CH2 4.23Å; M174-W246 HydrophobicContact CG-CZ2 3.9Å; M174-W246 WeakPolarHBondContact O-CZ2 3.35Å; M174-V276 CarbonylContact C-O 3.6Å; M174-V276 WeakPolarHBondContact CA-O 3.38Å; M174-V276 HydrophobicContact CB-CG1 3.46Å; M174-V276 VanDerWaalsContact CB-CG1 3.46Å; M174-F278 HydrophobicContact CB-CE2 4.45Å; M174-F278 HydrophobicContact CE-CD2 3.71Å; M174-F278 HydrophobicContact CE-CE2 3.81Å; M174-F278 HydrophobicContact SD-CE2 4.14Å |
| 175 | T | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.2 | 163.6 | -168.9 | 0 | 0 | 0 | 0 | 110.3 | L177 C266 Y271 A274 V276 I277 F278 | T175-L177 HydrophobicContact CG2-CD2 4.22Å; T175-C266 PolarHBondContact OG1-O 2.86Å; T175-Y271 HydrophobicContact CG2-CD2 4.46Å; T175-A274 HydrophobicContact CG2-CB 3.73Å; T175-V276 PolarHBondContact N-O 3.49Å; T175-I277 HydrophobicContact CG2-CB 4.21Å; T175-I277 HydrophobicContact CG2-CG1 3.83Å; T175-I277 HydrophobicContact CG2-CG2 3.92Å; T175-F278 PolarHBondContact O-N 2.72Å |
| 176 | I | 95.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.3 | 172.2 | -52.7 | 173 | 0 | 0 | 0 | 107.9 | L157 V161 M174 A178 W246 I248 L251 C266 F278 | L157-I176 HydrophobicContact CD1-CG2 4.44Å; V161-I176 HydrophobicContact CG2-CD1 3.72Å; V161-I176 HydrophobicContact CG2-CG1 4.4Å; M174-I176 HydrophobicContact CE-CD1 4.07Å; M174-I176 HydrophobicContact CE-CG1 3.74Å; I176-A178 PolarHBondContact O-N 3.46Å; I176-W246 WeakPolarHBondContact CD1-O 3.5Å; I176-I248 HydrophobicContact CB-CG1 4.31Å; I176-I248 HydrophobicContact CD1-CG1 4.18Å; I176-I248 HydrophobicContact CG2-CD1 3.94Å; I176-I248 HydrophobicContact CG2-CG1 3.8Å; I176-L251 HydrophobicContact CB-CD1 4.49Å; I176-C266 VanDerWaalsContact O-CB 3.32Å; I176-C266 WeakPolarHBondContact O-CB 3.29Å; I176-F278 CarbonylContact C-O 3.54Å; I176-F278 WeakPolarHBondContact CA-O 3.23Å; I176-F278 HydrophobicContact CG1-CB 4.16Å; I176-F278 HydrophobicContact CG2-CB 4.35Å |
| 177 | L | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -76.1 | 123.8 | 174.5 | -54.5 | -177.2 | 0 | 0 | 0 | 109.4 | H154 T175 T267 Y271 I277 F278 C279 Y283 M293 I295 | H154-L177 PolarHBondContact CE1-O 2.86Å; T175-L177 HydrophobicContact CG2-CD2 4.22Å; L177-T267 HydrophobicContact CD2-CG2 4.47Å; L177-Y271 HydrophobicContact CD2-CD2 4.02Å; L177-I277 HydrophobicContact CD1-CG2 3.69Å; L177-I277 HydrophobicContact CD2-CG2 4.21Å; L177-I277 HydrophobicContact CG-CG2 3.6Å; L177-F278 PolarHBondContact N-O 3.06Å; L177-C279 HydrophobicContact CB-CB 3.76Å; L177-C279 HydrophobicContact CD1-CB 4.03Å; L177-C279 HydrophobicContact CG-CB 4.13Å; L177-Y283 HydrophobicContact CB-CD2 4.17Å; L177-Y283 HydrophobicContact CB-CE2 4.24Å; L177-M293 HydrophobicContact CB-CE 4.17Å; L177-I295 HydrophobicContact CD1-CD1 3.67Å; L177-I295 HydrophobicContact CD1-CG1 4.08Å | ||
| 178 | A | 91.5 | Very high | 91 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | trans | -139.8 | 149.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I176 H182 T183 I248 | I176-A178 PolarHBondContact O-N 3.46Å; A178-H182 HydrophobicContact CB-CB 4.25Å; A178-T183 HydrophobicContact CB-CG2 3.73Å; A178-I248 HydrophobicContact CB-CD1 4.06Å | ||
| 179 | S | 90.4 | Very high | 91.1 | Very high | 27 Ų | 27 | 37 Ų | 37 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | trans | -71.8 | 167.4 | 176.5 | 72.6 | 0 | 0 | 0 | 0 | 111.5 | D181 H182 T183 Y283 | S179-D181 PolarHBondContact O-N 2.85Å; S179-D181 VanDerWaalsContact O-N 3.16Å; S179-D181 PolarHBondContact OG-N 3.2Å; S179-H182 PolarHBondContact O-N 3.25Å; S179-H182 VanDerWaalsContact O-N 3.12Å; S179-H182 PolarHBondContact OG-CD2 3.47Å; S179-T183 PolarHBondContact O-N 3.35Å; S179-T183 PolarHBondContact O-OG1 3.08Å; S179-Y283 PolarHBondContact N-OH 3.06Å; S179-Y283 VanDerWaalsContact N-OH 3.15Å | ||
| 180 | R | 90.1 | Very high | 91 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -23.3 | 172.3 | -68.6 | 173.5 | 177.9 | 78.4 | 3.7 | 112.7 | H182 T183 C184 K195 C199 Y263 | R180-H182 PolarHBondContact O-N 2.93Å; R180-T183 WeakPolarHBondContact CA-OG1 3.28Å; R180-T183 PolarHBondContact O-N 3.19Å; R180-C184 WeakPolarHBondContact O-CB 3.35Å; R180-C184 PolarHBondContact O-N 2.75Å; R180-K195 HydrophobicContact CB-CB 4.09Å; R180-C199 PolarHBondContact NE-SG 3.31Å; R180-Y263 HydrophobicContact CG-CD1 4.26Å; R180-Y263 HydrophobicContact CG-CD2 3.68Å; R180-Y263 HydrophobicContact CG-CE2 3.98Å; R180-Y263 HydrophobicContact CG-CG 3.83Å; R180-Y263 PolarHBondContact NH1-OH 3.4Å; R180-Y263 PolarHBondContact NH2-OH 2.96Å |
| 181 | D | 88.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -30.6 | 177.4 | -63.6 | -47.6 | 0 | 0 | 0 | 113.2 | S179 K195 | S179-D181 PolarHBondContact O-N 2.85Å; S179-D181 VanDerWaalsContact O-N 3.16Å; S179-D181 PolarHBondContact OG-N 3.2Å; D181-K195 PolarHBondContact O-NZ 3.39Å; D181-K195 VanDerWaalsContact O-NZ 3.12Å; D181-K195 WeakPolarHBondContact OD1-CD 3.27Å; D181-K195 WeakPolarHBondContact OD1-CE 3.27Å; D181-K195 IonicContact OD1-NZ 2.96Å |
| 182 | H | 87.5 | Confident | 91.2 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -98.1 | -13.7 | -179.1 | -63.3 | -63.9 | 0 | 0 | 0 | 113.8 | H154 A178 S179 R180 | H154-H182 AromaticContact CD2-CD2 3.5Å; H154-H182 AromaticContact CD2-NE2 3.39Å; H154-H182 PolarHBondContact CD2-NE2 3.4Å; H154-H182 AromaticContact NE2-CD2 3.58Å; H154-H182 AromaticContact NE2-NE2 3.91Å; A178-H182 HydrophobicContact CB-CB 4.25Å; S179-H182 PolarHBondContact O-N 3.25Å; S179-H182 VanDerWaalsContact O-N 3.12Å; S179-H182 PolarHBondContact OG-CD2 3.47Å; R180-H182 PolarHBondContact O-N 2.93Å |
| 183 | T | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -128.6 | -9.8 | -165.9 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | A178 S179 R180 L185 I248 P262 Y263 | A178-T183 HydrophobicContact CB-CG2 3.73Å; S179-T183 PolarHBondContact O-N 3.35Å; S179-T183 PolarHBondContact O-OG1 3.08Å; R180-T183 WeakPolarHBondContact CA-OG1 3.28Å; R180-T183 PolarHBondContact O-N 3.19Å; T183-L185 PolarHBondContact O-N 2.96Å; T183-I248 HydrophobicContact CG2-CG2 4.46Å; T183-P262 HydrophobicContact CG2-CB 4.44Å; T183-P262 WeakPolarHBondContact O-CD 3.32Å; T183-P262 WeakPolarHBondContact O-CG 3.49Å; T183-Y263 WeakPolarHBondContact OG1-CB 3.34Å |
| 184 | C | 92.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | trans | -72.5 | 114.1 | -175.1 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | R180 S190 K195 | R180-C184 WeakPolarHBondContact O-CB 3.35Å; R180-C184 PolarHBondContact O-N 2.75Å; C184-S190 WeakPolarHBondContact O-CB 3.43Å; C184-K195 HydrophobicContact CB-CD 4.24Å | ||
| 185 | L | 90.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | trans | -89.2 | -14.3 | 172.4 | -77 | 174.7 | 0 | 0 | 0 | 114.1 | T183 P187 F252 G255 Q256 P262 | T183-L185 PolarHBondContact O-N 2.96Å; L185-P187 WeakPolarHBondContact O-CD 3.44Å; L185-F252 HydrophobicContact CD2-CD1 3.82Å; L185-F252 HydrophobicContact CD2-CD2 3.7Å; L185-F252 HydrophobicContact CD2-CE1 3.36Å; L185-F252 HydrophobicContact CD2-CE2 3.23Å; L185-F252 HydrophobicContact CD2-CG 3.99Å; L185-F252 HydrophobicContact CD2-CZ 3.07Å; L185-F252 HydrophobicContact CG-CD2 4.02Å; L185-F252 HydrophobicContact CG-CE2 3.83Å; L185-F252 HydrophobicContact CG-CZ 4.16Å; L185-G255 VanDerWaalsContact CD1-C 3.46Å; L185-Q256 HydrophobicContact CD1-CB 4.22Å; L185-P262 HydrophobicContact CD1-CG 3.49Å; L185-P262 VanDerWaalsContact CD1-CG 3.49Å; L185-P262 HydrophobicContact CG-CG 3.85Å | ||
| 186 | H | 89.5 | Confident | 89.9 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 39% | 0.389 | 29% | 0.291 | S | S | . | . | trans | -66.1 | 123.4 | -171.7 | -172.8 | -93.9 | 0 | 0 | 0 | 110.6 | Y188 V189 S190 | H186-Y188 VanDerWaalsContact C-N 3.25Å; H186-Y188 PolarHBondContact ND1-N 3.28Å; H186-Y188 PolarHBondContact O-N 3.47Å; H186-Y188 VanDerWaalsContact O-N 3.12Å; H186-V189 HydrophobicContact CB-CB 4.06Å; H186-V189 HydrophobicContact CB-CG2 4.34Å; H186-V189 WeakPolarHBondContact ND1-CG2 3.44Å; H186-V189 PolarHBondContact ND1-N 3.05Å; H186-V189 PolarHBondContact O-N 3Å; H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.29Å; H186-S190 PolarHBondContact O-N 2.89Å; H186-S190 PolarHBondContact O-OG 3.12Å | ||
| 187 | P | 89.4 | Confident | 89.3 | Confident | 93 Ų | 93 | 56 Ų | 56 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -35 | -170.8 | -28.4 | 34.8 | 0 | 0 | 0 | 114.6 | L185 S190 | L185-P187 WeakPolarHBondContact O-CD 3.44Å; P187-S190 PolarHBondContact O-OG 3.12Å |
| 188 | Y | 91.1 | Very high | 88.9 | Confident | 119 Ų | 119 | 57.5 Ų | 57.5 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -47.2 | 176.8 | 169.1 | -100.2 | 0 | 0 | 0 | 112.3 | H186 R191 Q192 E198 | H186-Y188 VanDerWaalsContact C-N 3.25Å; H186-Y188 PolarHBondContact ND1-N 3.28Å; H186-Y188 PolarHBondContact O-N 3.47Å; H186-Y188 VanDerWaalsContact O-N 3.12Å; Y188-R191 PolarHBondContact O-N 2.91Å; Y188-Q192 HydrophobicContact CE1-CG 4.24Å; Y188-Q192 WeakPolarHBondContact O-CG 3.43Å; Y188-Q192 PolarHBondContact O-NE2 3.11Å; Y188-E198 WeakPolarHBondContact CE1-OE2 3.36Å; Y188-E198 PolarHBondContact OH-OE2 3.04Å |
| 189 | V | 90.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -74.4 | -36.2 | -170.6 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | H186 R191 Q192 K195 E198 C199 L202 | H186-V189 HydrophobicContact CB-CB 4.06Å; H186-V189 HydrophobicContact CB-CG2 4.34Å; H186-V189 WeakPolarHBondContact ND1-CG2 3.44Å; H186-V189 PolarHBondContact ND1-N 3.05Å; H186-V189 PolarHBondContact O-N 3Å; V189-R191 PolarHBondContact O-N 3.41Å; V189-R191 VanDerWaalsContact O-N 3.08Å; V189-Q192 WeakPolarHBondContact O-CB 3.48Å; V189-Q192 PolarHBondContact O-N 2.97Å; V189-K195 HydrophobicContact CG1-CB 3.94Å; V189-K195 VanDerWaalsContact CG1-O 3.3Å; V189-K195 WeakPolarHBondContact CG1-O 3.21Å; V189-K195 WeakPolarHBondContact O-CG 3.31Å; V189-E198 HydrophobicContact CG1-CB 4.27Å; V189-E198 HydrophobicContact CG2-CB 4.14Å; V189-C199 HydrophobicContact CG1-CB 4.23Å; V189-L202 HydrophobicContact CG2-CD1 3.51Å |
| 190 | S | 92 | Very high | 88.3 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -57 | -25.1 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | C184 H186 P187 K195 | C184-S190 WeakPolarHBondContact O-CB 3.43Å; H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.29Å; H186-S190 PolarHBondContact O-N 2.89Å; H186-S190 PolarHBondContact O-OG 3.12Å; P187-S190 PolarHBondContact O-OG 3.12Å; S190-K195 VanDerWaalsContact O-CE 3.28Å; S190-K195 WeakPolarHBondContact O-CE 3.36Å; S190-K195 PolarHBondContact O-NZ 3Å |
| 191 | R | 92.2 | Very high | 87.8 | Confident | 211 Ų | 211 | 66.2 Ų | 66.2 | 80% | 0.796 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -94.8 | -5.4 | -179.5 | -60.7 | 177.6 | -176.8 | 170.4 | 2 | 113.7 | Y188 V189 | Y188-R191 PolarHBondContact O-N 2.91Å; V189-R191 PolarHBondContact O-N 3.41Å; V189-R191 VanDerWaalsContact O-N 3.08Å |
| 192 | Q | 87.9 | Confident | 87.5 | Confident | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -82.4 | 149.7 | -179.3 | -57.1 | -57 | -35.5 | 0 | 0 | 110.9 | Y188 V189 K195 E198 | Y188-Q192 HydrophobicContact CE1-CG 4.24Å; Y188-Q192 WeakPolarHBondContact O-CG 3.43Å; Y188-Q192 PolarHBondContact O-NE2 3.11Å; V189-Q192 WeakPolarHBondContact O-CB 3.48Å; V189-Q192 PolarHBondContact O-N 2.97Å; Q192-K195 WeakPolarHBondContact O-CG 3.45Å; Q192-E198 HydrophobicContact CB-CG 4.11Å; Q192-E198 HydrophobicContact CG-CB 4.4Å; Q192-E198 HydrophobicContact CG-CG 3.97Å |
| 193 | A | 85.8 | Confident | 87.2 | Confident | 107 Ų | 107 | 64.4 Ų | 64.4 | 88% | 0.884 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -66.9 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 194 | D | 84.8 | Confident | 86.2 | Confident | 61 Ų | 61 | 67 Ų | 67 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | trans | -112.9 | 83 | 175.1 | -170.3 | -15.8 | 0 | 0 | 0 | 110.4 | S196 A197 E198 | D194-S196 PolarHBondContact O-N 3.03Å; D194-S196 PolarHBondContact OD1-N 3.07Å; D194-A197 HydrophobicContact CB-CB 4.26Å; D194-A197 PolarHBondContact O-N 3.2Å; D194-A197 PolarHBondContact OD1-N 3.06Å; D194-A197 WeakPolarHBondContact OD2-CB 3.35Å; D194-E198 PolarHBondContact O-N 3.38Å | ||
| 195 | K | 89.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -26.6 | 179.8 | -52.7 | -172.4 | -166.7 | 179.6 | 0 | 112.3 | R180 D181 C184 V189 S190 Q192 C199 | R180-K195 HydrophobicContact CB-CB 4.09Å; D181-K195 PolarHBondContact O-NZ 3.39Å; D181-K195 VanDerWaalsContact O-NZ 3.12Å; D181-K195 WeakPolarHBondContact OD1-CD 3.27Å; D181-K195 WeakPolarHBondContact OD1-CE 3.27Å; D181-K195 IonicContact OD1-NZ 2.96Å; C184-K195 HydrophobicContact CB-CD 4.24Å; V189-K195 HydrophobicContact CG1-CB 3.94Å; V189-K195 VanDerWaalsContact CG1-O 3.3Å; V189-K195 WeakPolarHBondContact CG1-O 3.21Å; V189-K195 WeakPolarHBondContact O-CG 3.31Å; S190-K195 VanDerWaalsContact O-CE 3.28Å; S190-K195 WeakPolarHBondContact O-CE 3.36Å; S190-K195 PolarHBondContact O-NZ 3Å; Q192-K195 WeakPolarHBondContact O-CG 3.45Å; K195-C199 WeakPolarHBondContact O-CB 3.44Å; K195-C199 PolarHBondContact O-N 3.45Å |
| 196 | S | 85 | Confident | 84.4 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 30% | 0.301 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.4 | -45.6 | -177.1 | -66 | 0 | 0 | 0 | 0 | 111.8 | D194 K200 | D194-S196 PolarHBondContact O-N 3.03Å; D194-S196 PolarHBondContact OD1-N 3.07Å; S196-K200 WeakPolarHBondContact O-CG 3.32Å; S196-K200 PolarHBondContact O-N 3.43Å |
| 197 | A | 82.4 | Confident | 83.2 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | D194 C199 K200 K201 | D194-A197 HydrophobicContact CB-CB 4.26Å; D194-A197 PolarHBondContact O-N 3.2Å; D194-A197 PolarHBondContact OD1-N 3.06Å; D194-A197 WeakPolarHBondContact OD2-CB 3.35Å; A197-C199 PolarHBondContact O-N 3.45Å; A197-K200 PolarHBondContact O-N 3.38Å; A197-K201 WeakPolarHBondContact O-CG 3.48Å; A197-K201 PolarHBondContact O-N 2.87Å; A197-K201 VanDerWaalsContact O-N 3.13Å |
| 198 | E | 85.2 | Confident | 81.9 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 16% | 0.159 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68 | -34.9 | -178.4 | -64 | -64.7 | 118.8 | 0 | 0 | 112.2 | Y188 V189 Q192 D194 K201 L202 | Y188-E198 WeakPolarHBondContact CE1-OE2 3.36Å; Y188-E198 PolarHBondContact OH-OE2 3.04Å; V189-E198 HydrophobicContact CG1-CB 4.27Å; V189-E198 HydrophobicContact CG2-CB 4.14Å; Q192-E198 HydrophobicContact CB-CG 4.11Å; Q192-E198 HydrophobicContact CG-CB 4.4Å; Q192-E198 HydrophobicContact CG-CG 3.97Å; D194-E198 PolarHBondContact O-N 3.38Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 WeakPolarHBondContact OE1-CE 3.35Å; E198-K201 IonicContact OE1-NZ 3.89Å; E198-K201 PolarHBondContact OE1-NZ 2.88Å; E198-L202 PolarHBondContact O-N 3.21Å |
| 199 | C | 87.2 | Confident | 80.6 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 11% | 0.108 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | R180 V189 K195 A197 K201 L202 I203 | R180-C199 PolarHBondContact NE-SG 3.31Å; V189-C199 HydrophobicContact CG1-CB 4.23Å; K195-C199 WeakPolarHBondContact O-CB 3.44Å; K195-C199 PolarHBondContact O-N 3.45Å; A197-C199 PolarHBondContact O-N 3.45Å; C199-K201 PolarHBondContact O-N 2.96Å; C199-L202 PolarHBondContact O-N 2.92Å; C199-I203 WeakPolarHBondContact O-CD1 3.37Å; C199-I203 VanDerWaalsContact O-CG1 3.32Å; C199-I203 WeakPolarHBondContact O-CG1 3.47Å; C199-I203 PolarHBondContact O-N 3.06Å |
| 200 | K | 82.1 | Confident | 79.4 | Confident | 104 Ų | 104 | 84.3 Ų | 84.3 | 45% | 0.452 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.6 | -76 | 179.6 | 177.9 | -173.8 | 0 | 112.2 | S196 A197 L202 I203 S204 | S196-K200 WeakPolarHBondContact O-CG 3.32Å; S196-K200 PolarHBondContact O-N 3.43Å; A197-K200 PolarHBondContact O-N 3.38Å; K200-L202 VanDerWaalsContact C-N 3.27Å; K200-L202 PolarHBondContact O-N 2.8Å; K200-I203 PolarHBondContact O-N 3.06Å; K200-S204 PolarHBondContact O-N 3.4Å; K200-S204 PolarHBondContact O-OG 3.02Å |
| 201 | K | 80.9 | Confident | 77.9 | Confident | 116 Ų | 116 | 90.2 Ų | 90.2 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -35.1 | 175.5 | -68.9 | 175.5 | -176.1 | 172 | 0 | 113.1 | A197 E198 C199 S204 | A197-K201 WeakPolarHBondContact O-CG 3.48Å; A197-K201 PolarHBondContact O-N 2.87Å; A197-K201 VanDerWaalsContact O-N 3.13Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 WeakPolarHBondContact OE1-CE 3.35Å; E198-K201 IonicContact OE1-NZ 3.89Å; E198-K201 PolarHBondContact OE1-NZ 2.88Å; C199-K201 PolarHBondContact O-N 2.96Å; K201-S204 PolarHBondContact O-OG 2.71Å; K201-S204 VanDerWaalsContact O-OG 3.12Å |
| 202 | L | 81.8 | Confident | 76.4 | Confident | 82 Ų | 82 | 87.6 Ų | 87.6 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 176.2 | -69.3 | 175.9 | 0 | 0 | 0 | 111.9 | V189 E198 C199 K200 G205 | V189-L202 HydrophobicContact CG2-CD1 3.51Å; E198-L202 PolarHBondContact O-N 3.21Å; C199-L202 PolarHBondContact O-N 2.92Å; K200-L202 VanDerWaalsContact C-N 3.27Å; K200-L202 PolarHBondContact O-N 2.8Å; L202-G205 PolarHBondContact O-N 3.4Å |
| 203 | I | 80.3 | Confident | 75.2 | Confident | 65 Ų | 65 | 91.4 Ų | 91.4 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.2 | -37.2 | -177.6 | -63.6 | 155.7 | 0 | 0 | 0 | 111.3 | C199 K200 G205 L206 F264 | C199-I203 WeakPolarHBondContact O-CD1 3.37Å; C199-I203 VanDerWaalsContact O-CG1 3.32Å; C199-I203 WeakPolarHBondContact O-CG1 3.47Å; C199-I203 PolarHBondContact O-N 3.06Å; K200-I203 PolarHBondContact O-N 3.06Å; I203-G205 PolarHBondContact O-N 3.05Å; I203-G205 VanDerWaalsContact O-N 3.17Å; I203-L206 WeakPolarHBondContact O-CB 3.25Å; I203-L206 PolarHBondContact O-N 3.42Å; I203-F264 HydrophobicContact CD1-CE1 4.45Å; I203-F264 HydrophobicContact CD1-CE2 3.76Å; I203-F264 HydrophobicContact CD1-CZ 3.34Å; I203-F264 HydrophobicContact CG1-CE2 4.44Å; I203-F264 HydrophobicContact CG1-CZ 4.33Å |
| 204 | S | 71.3 | Confident | 74.2 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | 179 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | K200 K201 Q432 | K200-S204 PolarHBondContact O-N 3.4Å; K200-S204 PolarHBondContact O-OG 3.02Å; K201-S204 PolarHBondContact O-OG 2.71Å; K201-S204 VanDerWaalsContact O-OG 3.12Å; S204-Q432 VanDerWaalsContact CB-NE2 3.28Å; S204-Q432 VanDerWaalsContact CB-OE1 3.32Å; S204-Q432 PolarHBondContact OG-OE1 3.24Å |
| 205 | G | 70.7 | Confident | 73.1 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L202 I203 | L202-G205 PolarHBondContact O-N 3.4Å; I203-G205 PolarHBondContact O-N 3.05Å; I203-G205 VanDerWaalsContact O-N 3.17Å |
| 206 | L | 72.3 | Confident | 71.8 | Confident | 122 Ų | 122 | 97.1 Ų | 97.1 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -91.6 | 137.6 | 179.6 | -61.2 | 174.4 | 0 | 0 | 0 | 110.8 | I203 | I203-L206 WeakPolarHBondContact O-CB 3.25Å; I203-L206 PolarHBondContact O-N 3.42Å |
| 207 | E | 65.7 | Low | 70.9 | Confident | 185 Ų | 185 | 99.7 Ų | 99.7 | 86% | 0.864 | 51% | 0.511 | S | S | * | . | trans | -63.7 | 138.7 | 171.3 | -70.9 | 176.9 | 174.5 | 0 | 0 | 110.9 | I209 | E207-I209 PolarHBondContact O-N 3.12Š| ||
| 208 | V | 62.2 | Low | 70.2 | Confident | 148 Ų | 148 | 102.5 Ų | 102.5 | 90% | 0.897 | 52% | 0.519 | S | S | * | . | trans | -77.3 | 114.7 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 209 | I | 63.3 | Low | 69.4 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 55% | 0.549 | 54% | 0.539 | S | S | . | . | trans | -85.2 | 141.9 | 173.8 | -56.7 | 171.9 | 0 | 0 | 0 | 108.9 | E207 E211 I214 | E207-I209 PolarHBondContact O-N 3.12Å; I209-E211 PolarHBondContact O-N 3.16Å; I209-I214 HydrophobicContact CB-CD1 4.28Å; I209-I214 HydrophobicContact CG2-CD1 4.4Å; I209-I214 HydrophobicContact CG2-CG1 4.13Å | ||
| 210 | D | 64.1 | Low | 68.6 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | trans | -55.6 | 128.3 | 176.8 | -172.2 | -22.8 | 0 | 0 | 0 | 111.6 | Q212 E213 | D210-Q212 PolarHBondContact O-N 3.47Å; D210-Q212 VanDerWaalsContact O-N 3.17Å; D210-Q212 PolarHBondContact OD1-N 3.03Å; D210-E213 PolarHBondContact O-N 3.24Å | ||
| 211 | E | 61 | Low | 68.2 | Low | 160 Ų | 160 | 111.3 Ų | 111.3 | 75% | 0.748 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.7 | -30.6 | -178.9 | -72.1 | -167.7 | 149.9 | 0 | 0 | 113.4 | I209 I214 E215 | I209-E211 PolarHBondContact O-N 3.16Å; E211-I214 PolarHBondContact O-N 2.77Å; E211-E215 PolarHBondContact O-N 2.87Å |
| 212 | Q | 61 | Low | 67.8 | Low | 156 Ų | 156 | 106.9 Ų | 106.9 | 73% | 0.729 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -34.3 | -177.5 | -64.3 | -172.2 | 10.8 | 0 | 0 | 112.7 | D210 | D210-Q212 PolarHBondContact O-N 3.47Å; D210-Q212 VanDerWaalsContact O-N 3.17Å; D210-Q212 PolarHBondContact OD1-N 3.03Å |
| 213 | E | 62.3 | Low | 67.5 | Low | 143 Ų | 143 | 105 Ų | 105 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.6 | -34.1 | 178.9 | -149.7 | 176.9 | -168.9 | 0 | 0 | 110.9 | D210 E215 | D210-E213 PolarHBondContact O-N 3.24Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.21Å |
| 214 | I | 64 | Low | 67.4 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 30% | 0.303 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.8 | -62 | 173.3 | 0 | 0 | 0 | 111.1 | I209 E211 K216 E217 R218 | I209-I214 HydrophobicContact CB-CD1 4.28Å; I209-I214 HydrophobicContact CG2-CD1 4.4Å; I209-I214 HydrophobicContact CG2-CG1 4.13Å; E211-I214 PolarHBondContact O-N 2.77Å; I214-K216 PolarHBondContact O-N 2.89Å; I214-E217 PolarHBondContact O-N 3.42Å; I214-R218 HydrophobicContact CG2-CG 4.06Å; I214-R218 VanDerWaalsContact O-CG 3.27Å; I214-R218 WeakPolarHBondContact O-CG 3.32Å; I214-R218 PolarHBondContact O-N 3.1Å |
| 215 | E | 62.2 | Low | 67.9 | Low | 87 Ų | 87 | 103.8 Ų | 103.8 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | -171.2 | -166.3 | 161.3 | -139.7 | 0 | 0 | 114.2 | E211 E213 R218 R272 | E211-E215 PolarHBondContact O-N 2.87Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.21Å; E215-R218 WeakPolarHBondContact O-CB 3.41Å; E215-R218 PolarHBondContact O-N 2.67Å; E215-R272 IonicContact OE1-NH2 2.75Å |
| 216 | K | 62.6 | Low | 68.4 | Low | 178 Ų | 178 | 102.5 Ų | 102.5 | 77% | 0.774 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.2 | -35.9 | 177.2 | -72.9 | -179.4 | -176.8 | 169.9 | 0 | 113 | I214 R218 | I214-K216 PolarHBondContact O-N 2.89Å; K216-R218 VanDerWaalsContact C-N 3.29Å |
| 217 | E | 66.1 | Low | 68.8 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -24.2 | 176.2 | -73.9 | -65.3 | 141.2 | 0 | 0 | 111.8 | I214 D219 R220 F221 | I214-E217 PolarHBondContact O-N 3.42Å; E217-D219 PolarHBondContact O-N 2.83Å; E217-R220 PolarHBondContact O-N 2.77Å; E217-R220 IonicContact OE1-CZ 3.32Å; E217-R220 IonicContact OE1-NH1 2.74Å; E217-R220 PolarHBondContact OE1-NH1 3.41Å; E217-R220 IonicContact OE1-NH2 3.38Å; E217-R220 PolarHBondContact OE1-NH2 3.46Å; E217-R220 IonicContact OE2-CZ 3.62Å; E217-R220 IonicContact OE2-NH1 2.85Å; E217-R220 PolarHBondContact OE2-NH1 3.02Å; E217-F221 VanDerWaalsContact O-CB 3.23Å; E217-F221 WeakPolarHBondContact O-CB 3.48Å; E217-F221 PolarHBondContact O-N 3.14Å |
| 218 | R | 68.4 | Low | 69.6 | Low | 69 Ų | 69 | 92.3 Ų | 92.3 | 26% | 0.26 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 178.2 | -81.1 | 176.8 | 179.7 | 157.4 | 5.4 | 113.6 | I214 E215 K216 R220 F221 L222 F269 | I214-R218 HydrophobicContact CG2-CG 4.06Å; I214-R218 VanDerWaalsContact O-CG 3.27Å; I214-R218 WeakPolarHBondContact O-CG 3.32Å; I214-R218 PolarHBondContact O-N 3.1Å; E215-R218 WeakPolarHBondContact O-CB 3.41Å; E215-R218 PolarHBondContact O-N 2.67Å; K216-R218 VanDerWaalsContact C-N 3.29Å; R218-R220 PolarHBondContact O-N 2.77Å; R218-F221 CarbonylContact O-C 3.57Å; R218-F221 WeakPolarHBondContact O-CB 3.37Å; R218-F221 PolarHBondContact O-N 3.08Å; R218-L222 VanDerWaalsContact O-CB 3.3Å; R218-L222 WeakPolarHBondContact O-CB 3.36Å; R218-L222 PolarHBondContact O-N 3.44Å; R218-F269 HydrophobicContact CB-CE2 4.2Å; R218-F269 HydrophobicContact CG-CE2 4.03Å |
| 219 | D | 67.9 | Low | 70.4 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | -177.3 | -75.7 | -17.8 | 0 | 0 | 0 | 111.7 | E217 F221 L222 G223 | E217-D219 PolarHBondContact O-N 2.83Å; D219-F221 VanDerWaalsContact C-N 3.33Å; D219-L222 PolarHBondContact O-N 3.32Å; D219-G223 PolarHBondContact O-N 2.91Å; D219-G223 VanDerWaalsContact O-N 3.1Å |
| 220 | R | 70.4 | Confident | 71 | Confident | 154 Ų | 154 | 82.7 Ų | 82.7 | 58% | 0.581 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 173.2 | -171.9 | -168.4 | -64.1 | 152.5 | 4 | 110.7 | E217 R218 L222 G223 N224 | E217-R220 PolarHBondContact O-N 2.77Å; E217-R220 IonicContact OE1-CZ 3.32Å; E217-R220 IonicContact OE1-NH1 2.74Å; E217-R220 PolarHBondContact OE1-NH1 3.41Å; E217-R220 IonicContact OE1-NH2 3.38Å; E217-R220 PolarHBondContact OE1-NH2 3.46Å; E217-R220 IonicContact OE2-CZ 3.62Å; E217-R220 IonicContact OE2-NH1 2.85Å; E217-R220 PolarHBondContact OE2-NH1 3.02Å; R218-R220 PolarHBondContact O-N 2.77Å; R220-L222 VanDerWaalsContact C-N 3.35Å; R220-G223 PolarHBondContact O-N 3.32Å; R220-N224 PolarHBondContact O-N 3.43Å; R220-N224 VanDerWaalsContact O-N 3.16Å |
| 221 | F | 73 | Confident | 71.7 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 33% | 0.333 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 178.7 | -171.7 | -91.7 | 0 | 0 | 0 | 112.3 | E217 R218 D219 N224 V225 L260 F269 | E217-F221 VanDerWaalsContact O-CB 3.23Å; E217-F221 WeakPolarHBondContact O-CB 3.48Å; E217-F221 PolarHBondContact O-N 3.14Å; R218-F221 CarbonylContact O-C 3.57Å; R218-F221 WeakPolarHBondContact O-CB 3.37Å; R218-F221 PolarHBondContact O-N 3.08Å; D219-F221 VanDerWaalsContact C-N 3.33Å; F221-N224 PolarHBondContact O-N 2.92Å; F221-V225 HydrophobicContact CD1-CG2 3.78Å; F221-V225 HydrophobicContact CE1-CG2 3.62Å; F221-V225 HydrophobicContact CZ-CG2 4.3Å; F221-V225 WeakPolarHBondContact O-CB 3.37Å; F221-V225 VanDerWaalsContact O-CG2 3.32Å; F221-V225 WeakPolarHBondContact O-CG2 3.36Å; F221-V225 PolarHBondContact O-N 3.37Å; F221-L260 HydrophobicContact CE1-CD1 3.73Å; F221-L260 HydrophobicContact CE1-CD2 4.45Å; F221-L260 HydrophobicContact CE2-CD1 3.89Å; F221-L260 HydrophobicContact CE2-CD2 3.47Å; F221-L260 VanDerWaalsContact CE2-CD2 3.47Å; F221-L260 HydrophobicContact CE2-CG 4.26Å; F221-L260 HydrophobicContact CZ-CD1 3.18Å; F221-L260 HydrophobicContact CZ-CD2 3.23Å; F221-L260 HydrophobicContact CZ-CG 3.75Å; F221-F269 HydrophobicContact CB-CZ 4.48Å; F221-F269 HydrophobicContact CD1-CD1 4.3Å; F221-F269 HydrophobicContact CD1-CD2 4.43Å; F221-F269 AromaticContact CD1-CE1 3.67Å; F221-F269 HydrophobicContact CD1-CE1 3.67Å; F221-F269 AromaticContact CD1-CE2 3.86Å; F221-F269 HydrophobicContact CD1-CE2 3.86Å; F221-F269 AromaticContact CD1-CZ 3.45Å; F221-F269 HydrophobicContact CD1-CZ 3.45Å; F221-F269 VanDerWaalsContact CD1-CZ 3.45Å; F221-F269 HydrophobicContact CE1-CD1 4.23Å; F221-F269 HydrophobicContact CE1-CE1 4.04Å; F221-F269 HydrophobicContact CE1-CE2 4.41Å; F221-F269 HydrophobicContact CE1-CG 4.48Å; F221-F269 HydrophobicContact CE1-CZ 4.16Å; F221-F269 HydrophobicContact CG-CZ 4.44Å |
| 222 | L | 73.5 | Confident | 72.3 | Confident | 22 Ų | 22 | 76.9 Ų | 76.9 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.5 | -171.4 | 62.7 | 0 | 0 | 0 | 110.9 | R218 D219 R220 N224 V225 Y226 F269 Y273 | R218-L222 VanDerWaalsContact O-CB 3.3Å; R218-L222 WeakPolarHBondContact O-CB 3.36Å; R218-L222 PolarHBondContact O-N 3.44Å; D219-L222 PolarHBondContact O-N 3.32Å; R220-L222 VanDerWaalsContact C-N 3.35Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.66Å; L222-V225 PolarHBondContact O-N 3.05Å; L222-Y226 HydrophobicContact CD1-CD2 3.88Å; L222-Y226 HydrophobicContact CD1-CE2 3.31Å; L222-Y226 HydrophobicContact CD2-CE2 3.94Å; L222-Y226 HydrophobicContact CG-CD2 3.73Å; L222-Y226 HydrophobicContact CG-CE2 3.41Å; L222-Y226 VanDerWaalsContact CG-CE2 3.41Å; L222-Y226 VanDerWaalsContact O-CD2 3.29Å; L222-Y226 WeakPolarHBondContact O-CD2 3.42Å; L222-Y226 PolarHBondContact O-N 2.66Å; L222-F269 HydrophobicContact CB-CE1 4.11Å; L222-F269 HydrophobicContact CB-CZ 3.68Å; L222-F269 HydrophobicContact CD1-CD1 4.3Å; L222-F269 HydrophobicContact CD1-CE1 3.39Å; L222-F269 HydrophobicContact CD1-CZ 3.68Å; L222-F269 HydrophobicContact CG-CE1 4.36Å; L222-F269 HydrophobicContact CG-CZ 4.27Å; L222-Y273 HydrophobicContact CD1-CD2 3.97Å; L222-Y273 HydrophobicContact CD1-CE2 4.22Å; L222-Y273 HydrophobicContact CD2-CD1 4.17Å; L222-Y273 HydrophobicContact CD2-CD2 4.11Å; L222-Y273 HydrophobicContact CD2-CE1 4.11Å; L222-Y273 HydrophobicContact CD2-CE2 4.08Å; L222-Y273 HydrophobicContact CD2-CG 4.17Å |
| 223 | G | 75.3 | Confident | 72.7 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D219 R220 Y226 A227 | D219-G223 PolarHBondContact O-N 2.91Å; D219-G223 VanDerWaalsContact O-N 3.1Å; R220-G223 PolarHBondContact O-N 3.32Å; G223-Y226 PolarHBondContact O-N 2.81Å; G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 2.86Å |
| 224 | N | 79.1 | Confident | 73.1 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 177.8 | -72.6 | -10.5 | 0 | 0 | 0 | 112.7 | R220 F221 L222 A227 N228 | R220-N224 PolarHBondContact O-N 3.43Å; R220-N224 VanDerWaalsContact O-N 3.16Å; F221-N224 PolarHBondContact O-N 2.92Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.66Å; N224-A227 PolarHBondContact O-N 2.84Å; N224-N228 PolarHBondContact O-N 2.85Å; N224-N228 VanDerWaalsContact O-N 3.09Å; N224-N228 PolarHBondContact O-ND2 3.05Å |
| 225 | V | 81.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 176.6 | 164.4 | 0 | 0 | 0 | 0 | 110.4 | F221 L222 A227 N228 L229 L260 L265 F269 L270 | F221-V225 HydrophobicContact CD1-CG2 3.78Å; F221-V225 HydrophobicContact CE1-CG2 3.62Å; F221-V225 HydrophobicContact CZ-CG2 4.3Å; F221-V225 WeakPolarHBondContact O-CB 3.37Å; F221-V225 VanDerWaalsContact O-CG2 3.32Å; F221-V225 WeakPolarHBondContact O-CG2 3.36Å; F221-V225 PolarHBondContact O-N 3.37Å; L222-V225 PolarHBondContact O-N 3.05Å; V225-A227 PolarHBondContact O-N 2.87Å; V225-N228 PolarHBondContact O-N 3.02Å; V225-L229 HydrophobicContact CG1-CD1 3.69Å; V225-L229 HydrophobicContact CG1-CG 4.37Å; V225-L229 WeakPolarHBondContact O-CB 3.34Å; V225-L229 WeakPolarHBondContact O-CG 3.33Å; V225-L229 PolarHBondContact O-N 3.34Å; V225-L260 HydrophobicContact CG2-CD1 3.72Å; V225-L265 HydrophobicContact CG1-CD1 3.84Å; V225-L265 HydrophobicContact CG2-CD1 4.04Å; V225-F269 HydrophobicContact CB-CE1 4.44Å; V225-F269 HydrophobicContact CG2-CE1 4.24Å; V225-L270 HydrophobicContact CG1-CD2 4.19Å |
| 226 | Y | 81.1 | Confident | 73.2 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 179.1 | -76.7 | -48.2 | 0 | 0 | 0 | 112.3 | L222 G223 N228 L229 Q230 W246 L270 | L222-Y226 HydrophobicContact CD1-CD2 3.88Å; L222-Y226 HydrophobicContact CD1-CE2 3.31Å; L222-Y226 HydrophobicContact CD2-CE2 3.94Å; L222-Y226 HydrophobicContact CG-CD2 3.73Å; L222-Y226 HydrophobicContact CG-CE2 3.41Å; L222-Y226 VanDerWaalsContact CG-CE2 3.41Å; L222-Y226 VanDerWaalsContact O-CD2 3.29Å; L222-Y226 WeakPolarHBondContact O-CD2 3.42Å; L222-Y226 PolarHBondContact O-N 2.66Å; G223-Y226 PolarHBondContact O-N 2.81Å; Y226-N228 VanDerWaalsContact C-N 3.31Å; Y226-N228 PolarHBondContact O-N 3.01Å; Y226-L229 HydrophobicContact CD1-CD1 4.39Å; Y226-L229 PolarHBondContact O-N 3.22Å; Y226-Q230 WeakPolarHBondContact O-CB 3.41Å; Y226-Q230 VanDerWaalsContact O-CG 3.24Å; Y226-Q230 WeakPolarHBondContact O-CG 3.33Å; Y226-Q230 PolarHBondContact O-N 2.8Å; Y226-W246 AromaticContact CD1-CH2 3.83Å; Y226-W246 HydrophobicContact CD1-CH2 3.83Å; Y226-W246 HydrophobicContact CD1-CZ3 4.15Å; Y226-W246 AromaticContact CE1-CH2 3.45Å; Y226-W246 HydrophobicContact CE1-CH2 3.45Å; Y226-W246 VanDerWaalsContact CE1-CH2 3.45Å; Y226-W246 HydrophobicContact CE1-CZ2 4.09Å; Y226-W246 HydrophobicContact CE1-CZ3 4.22Å; Y226-L270 HydrophobicContact CE1-CD2 4.08Å |
| 227 | A | 80.8 | Confident | 72.7 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G223 N224 V225 K231 | G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 2.86Å; N224-A227 PolarHBondContact O-N 2.84Å; V225-A227 PolarHBondContact O-N 2.87Å; A227-K231 PolarHBondContact O-N 3.43Å; A227-K231 VanDerWaalsContact O-N 3.11Å |
| 228 | N | 80.7 | Confident | 72.1 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.2 | -38.9 | 176.7 | -75.3 | -67.8 | 0 | 0 | 0 | 112.7 | N224 V225 Y226 Q230 K231 E232 V254 C258 | N224-N228 PolarHBondContact O-N 2.85Å; N224-N228 VanDerWaalsContact O-N 3.09Å; N224-N228 PolarHBondContact O-ND2 3.05Å; V225-N228 PolarHBondContact O-N 3.02Å; Y226-N228 VanDerWaalsContact C-N 3.31Å; Y226-N228 PolarHBondContact O-N 3.01Å; N228-Q230 VanDerWaalsContact C-N 3.31Å; N228-Q230 PolarHBondContact O-N 2.94Å; N228-K231 WeakPolarHBondContact O-CB 3.39Å; N228-K231 PolarHBondContact O-N 2.86Å; N228-E232 PolarHBondContact O-N 2.88Å; N228-V254 HydrophobicContact CB-CG1 3.99Å; N228-V254 HydrophobicContact CB-CG2 4.06Å; N228-C258 VanDerWaalsContact CG-SG 3.58Å; N228-C258 PolarHBondContact ND2-SG 2.88Å |
| 229 | L | 79.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.5 | -74.9 | 167.9 | 0 | 0 | 0 | 112 | V225 Y226 S233 W246 L251 V254 L270 | V225-L229 HydrophobicContact CG1-CD1 3.69Å; V225-L229 HydrophobicContact CG1-CG 4.37Å; V225-L229 WeakPolarHBondContact O-CB 3.34Å; V225-L229 WeakPolarHBondContact O-CG 3.33Å; V225-L229 PolarHBondContact O-N 3.34Å; Y226-L229 HydrophobicContact CD1-CD1 4.39Å; Y226-L229 PolarHBondContact O-N 3.22Å; L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.27Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.96Å; L229-W246 HydrophobicContact CB-CD2 4.36Å; L229-W246 HydrophobicContact CB-CE3 3.88Å; L229-W246 HydrophobicContact CB-CZ3 4.32Å; L229-W246 HydrophobicContact CD1-CD2 3.87Å; L229-W246 HydrophobicContact CD1-CE3 3.95Å; L229-W246 HydrophobicContact CD1-CG 4.49Å; L229-W246 HydrophobicContact CD1-CH2 4.2Å; L229-W246 HydrophobicContact CD1-CZ2 4.01Å; L229-W246 HydrophobicContact CD1-CZ3 4.13Å; L229-W246 HydrophobicContact CD2-CB 4.05Å; L229-W246 HydrophobicContact CD2-CD2 4.09Å; L229-W246 HydrophobicContact CD2-CE3 4.45Å; L229-W246 HydrophobicContact CD2-CG 3.91Å; L229-W246 HydrophobicContact CG-CD2 4.34Å; L229-W246 HydrophobicContact CG-CE3 4.32Å; L229-L251 HydrophobicContact CD1-CD2 4.47Å; L229-L251 HydrophobicContact CD2-CD2 3.83Å; L229-L251 HydrophobicContact CD2-CG 4.31Å; L229-V254 HydrophobicContact CB-CG2 4.47Å; L229-V254 HydrophobicContact CD2-CB 4.09Å; L229-V254 HydrophobicContact CD2-CG1 4.42Å; L229-V254 HydrophobicContact CD2-CG2 3.6Å; L229-V254 HydrophobicContact CG-CB 4.47Å; L229-V254 HydrophobicContact CG-CG1 4.32Å; L229-V254 HydrophobicContact CG-CG2 3.93Å; L229-L270 HydrophobicContact CD1-CD1 4.36Å |
| 230 | Q | 75.1 | Confident | 70.3 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 24% | 0.243 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 174 | -74.7 | 178.3 | -45 | 0 | 0 | 112.2 | Y226 N228 S233 S234 F244 | Y226-Q230 WeakPolarHBondContact O-CB 3.41Å; Y226-Q230 VanDerWaalsContact O-CG 3.24Å; Y226-Q230 WeakPolarHBondContact O-CG 3.33Å; Y226-Q230 PolarHBondContact O-N 2.8Å; N228-Q230 VanDerWaalsContact C-N 3.31Å; N228-Q230 PolarHBondContact O-N 2.94Å; Q230-S233 WeakPolarHBondContact CA-OG 3.34Å; Q230-S233 PolarHBondContact O-OG 2.81Å; Q230-S234 VanDerWaalsContact O-CB 3.28Å; Q230-S234 WeakPolarHBondContact O-CB 3.45Å; Q230-S234 PolarHBondContact O-N 2.99Å; Q230-S234 PolarHBondContact O-OG 2.97Å; Q230-F244 HydrophobicContact CG-CD1 3.87Å; Q230-F244 HydrophobicContact CG-CE1 3.84Å; Q230-F244 HydrophobicContact CG-CG 4.43Å; Q230-F244 HydrophobicContact CG-CZ 4.36Å; Q230-F244 VanDerWaalsContact NE2-CE2 3.27Å |
| 231 | K | 78.8 | Confident | 69.4 | Low | 115 Ų | 115 | 67.9 Ų | 67.9 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 176.3 | -177.4 | -171.4 | 169.5 | -155.3 | 0 | 110.6 | A227 N228 S234 L235 | A227-K231 PolarHBondContact O-N 3.43Å; A227-K231 VanDerWaalsContact O-N 3.11Å; N228-K231 WeakPolarHBondContact O-CB 3.39Å; N228-K231 PolarHBondContact O-N 2.86Å; K231-S234 PolarHBondContact O-N 3.1Å; K231-L235 WeakPolarHBondContact O-CG 3.36Å; K231-L235 PolarHBondContact O-N 3.02Å |
| 232 | E | 75.5 | Confident | 68.8 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.8 | -72.5 | -58.3 | 116.8 | 0 | 0 | 112.2 | N228 S234 L235 D250 N253 V254 | N228-E232 PolarHBondContact O-N 2.88Å; E232-S234 VanDerWaalsContact C-N 3.28Å; E232-S234 PolarHBondContact O-N 3.33Å; E232-L235 PolarHBondContact O-N 3.45Å; E232-D250 HydrophobicContact CB-CB 4.47Å; E232-N253 HydrophobicContact CG-CB 4.16Å; E232-N253 WeakPolarHBondContact OE2-CB 3.25Å; E232-N253 PolarHBondContact OE2-ND2 2.91Å; E232-V254 HydrophobicContact CB-CG2 4.31Å; E232-V254 HydrophobicContact CG-CG2 3.73Å |
| 233 | S | 69 | Low | 68.5 | Low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 178.2 | 76 | 0 | 0 | 0 | 0 | 112.4 | L229 Q230 N237 S243 | L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.27Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.96Å; Q230-S233 WeakPolarHBondContact CA-OG 3.34Å; Q230-S233 PolarHBondContact O-OG 2.81Å; S233-N237 PolarHBondContact O-ND2 3.44Å; S233-S243 PolarHBondContact OG-O 3.01Å |
| 234 | S | 69.5 | Low | 68.7 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 43% | 0.427 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.3 | -32.4 | 179.6 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | Q230 K231 E232 R236 N237 | Q230-S234 VanDerWaalsContact O-CB 3.28Å; Q230-S234 WeakPolarHBondContact O-CB 3.45Å; Q230-S234 PolarHBondContact O-N 2.99Å; Q230-S234 PolarHBondContact O-OG 2.97Å; K231-S234 PolarHBondContact O-N 3.1Å; E232-S234 VanDerWaalsContact C-N 3.28Å; E232-S234 PolarHBondContact O-N 3.33Å; S234-R236 PolarHBondContact O-N 3.3Å; S234-N237 PolarHBondContact O-N 3.46Å; S234-N237 VanDerWaalsContact O-N 3.14Å |
| 235 | L | 67.3 | Low | 69.2 | Low | 127 Ų | 127 | 67.2 Ų | 67.2 | 67% | 0.665 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -23 | 179 | -73.3 | 169.7 | 0 | 0 | 0 | 113.5 | K231 E232 | K231-L235 WeakPolarHBondContact O-CG 3.36Å; K231-L235 PolarHBondContact O-N 3.02Å; E232-L235 PolarHBondContact O-N 3.45Å |
| 236 | R | 61.2 | Low | 69.4 | Low | 135 Ų | 135 | 67.2 Ų | 67.2 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.6 | 176.4 | -73.1 | -175 | 179.2 | -175.5 | 4.5 | 114.3 | S234 D247 D250 | S234-R236 PolarHBondContact O-N 3.3Å; R236-D247 IonicContact NH1-OD1 3.73Å; R236-D247 PolarHBondContact NH1-OD1 3.21Å; R236-D247 IonicContact NH1-OD2 3.85Å; R236-D247 PolarHBondContact NH1-OD2 2.96Å; R236-D250 IonicContact CZ-OD1 2.72Å; R236-D250 IonicContact NE-OD1 3.63Å; R236-D250 IonicContact NH1-OD1 3.5Å |
| 237 | N | 53.4 | Low | 69.8 | Low | 55 Ų | 55 | 65.9 Ų | 65.9 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -98.9 | 132.3 | -172 | -74.4 | -22.7 | 0 | 0 | 0 | 112.2 | S233 S234 S239 | S233-N237 PolarHBondContact O-ND2 3.44Å; S234-N237 PolarHBondContact O-N 3.46Å; S234-N237 VanDerWaalsContact O-N 3.14Å; N237-S239 VanDerWaalsContact C-N 3.26Å | ||
| 238 | D | 52.6 | Low | 70.1 | Confident | 184 Ų | 184 | 64.4 Ų | 64.4 | 98% | 0.984 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -83.1 | -0.8 | 166.1 | -121.8 | -2.9 | 0 | 0 | 0 | 112.1 | ||
| 239 | S | 50.1 | Low | 70.4 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -109.7 | 135.8 | -175.4 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | N237 T241 | N237-S239 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.18Å |
| 240 | S | 47.8 | Very low | 70.8 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 92% | 0.916 | 35% | 0.352 | S | S | * | . | trans | -76.2 | 25.3 | -169.6 | 62.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 241 | T | 52.2 | Low | 71.4 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -113.7 | 128.3 | -175.1 | -9.8 | 0 | 0 | 0 | 0 | 110.7 | S239 S243 | S239-T241 PolarHBondContact O-N 3.18Å; T241-S243 PolarHBondContact O-N 2.89Å |
| 242 | E | 59.3 | Low | 71.8 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 73% | 0.729 | 33% | 0.333 | S | S | * | . | trans | -57 | 103.5 | 174.3 | -63.3 | 176.1 | 180 | 0 | 0 | 110 | ||||
| 243 | S | 69 | Low | 72.5 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -108.9 | 119.4 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | S233 T241 V245 | S233-S243 PolarHBondContact OG-O 3.01Å; T241-S243 PolarHBondContact O-N 2.89Å; S243-V245 PolarHBondContact O-N 3.09Å | ||
| 244 | F | 79.1 | Confident | 73.3 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 25% | 0.254 | 34% | 0.339 | S | S | . | . | trans | -90.2 | 39 | 174.9 | -70.3 | -97.5 | 0 | 0 | 0 | 111.8 | T170 Q230 W246 | T170-F244 CarbonylContact O-C 3.57Å; T170-F244 WeakPolarHBondContact O-CA 3.22Å; T170-F244 WeakPolarHBondContact O-CB 3.45Å; T170-F244 PolarHBondContact O-N 3.26Å; Q230-F244 HydrophobicContact CG-CD1 3.87Å; Q230-F244 HydrophobicContact CG-CE1 3.84Å; Q230-F244 HydrophobicContact CG-CG 4.43Å; Q230-F244 HydrophobicContact CG-CZ 4.36Å; Q230-F244 VanDerWaalsContact NE2-CE2 3.27Å; F244-W246 HydrophobicContact CB-CZ3 4.08Å; F244-W246 WeakPolarHBondContact O-CZ3 3.25Å | ||
| 245 | V | 88 | Confident | 74.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -121 | 109.7 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | V161 L164 R165 T170 M174 S243 | V161-V245 HydrophobicContact CG1-CG1 3.77Å; L164-V245 HydrophobicContact CB-CG1 4.27Å; L164-V245 HydrophobicContact CD2-CG1 3.93Å; L164-V245 HydrophobicContact CD2-CG2 4.02Å; L164-V245 HydrophobicContact CG-CG1 4.1Å; L164-V245 HydrophobicContact CG-CG2 3.94Å; R165-V245 HydrophobicContact CB-CG1 4.47Å; R165-V245 HydrophobicContact CG-CB 3.7Å; R165-V245 HydrophobicContact CG-CG1 3.4Å; R165-V245 PolarHBondContact NE-O 3.05Å; R165-V245 PolarHBondContact NH2-O 2.99Å; R165-V245 VanDerWaalsContact NH2-O 3.11Å; T170-V245 HydrophobicContact CG2-CG2 4.4Å; M174-V245 HydrophobicContact SD-CB 4.32Å; M174-V245 HydrophobicContact SD-CG1 3.81Å; S243-V245 PolarHBondContact O-N 3.09Å | ||
| 246 | W | 87.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | trans | -111.4 | 153.8 | -179.4 | 47.8 | 87.2 | 0 | 0 | 0 | 112.5 | V161 M174 I176 Y226 L229 F244 D250 L251 L270 | V161-W246 WeakPolarHBondContact CG1-O 3.49Å; M174-W246 WeakPolarHBondContact CE-O 3.46Å; M174-W246 HydrophobicContact CG-CD2 4.48Å; M174-W246 HydrophobicContact CG-CH2 4.23Å; M174-W246 HydrophobicContact CG-CZ2 3.9Å; M174-W246 WeakPolarHBondContact O-CZ2 3.35Å; I176-W246 WeakPolarHBondContact CD1-O 3.5Å; Y226-W246 AromaticContact CD1-CH2 3.83Å; Y226-W246 HydrophobicContact CD1-CH2 3.83Å; Y226-W246 HydrophobicContact CD1-CZ3 4.15Å; Y226-W246 AromaticContact CE1-CH2 3.45Å; Y226-W246 HydrophobicContact CE1-CH2 3.45Å; Y226-W246 VanDerWaalsContact CE1-CH2 3.45Å; Y226-W246 HydrophobicContact CE1-CZ2 4.09Å; Y226-W246 HydrophobicContact CE1-CZ3 4.22Å; L229-W246 HydrophobicContact CB-CD2 4.36Å; L229-W246 HydrophobicContact CB-CE3 3.88Å; L229-W246 HydrophobicContact CB-CZ3 4.32Å; L229-W246 HydrophobicContact CD1-CD2 3.87Å; L229-W246 HydrophobicContact CD1-CE3 3.95Å; L229-W246 HydrophobicContact CD1-CG 4.49Å; L229-W246 HydrophobicContact CD1-CH2 4.2Å; L229-W246 HydrophobicContact CD1-CZ2 4.01Å; L229-W246 HydrophobicContact CD1-CZ3 4.13Å; L229-W246 HydrophobicContact CD2-CB 4.05Å; L229-W246 HydrophobicContact CD2-CD2 4.09Å; L229-W246 HydrophobicContact CD2-CE3 4.45Å; L229-W246 HydrophobicContact CD2-CG 3.91Å; L229-W246 HydrophobicContact CG-CD2 4.34Å; L229-W246 HydrophobicContact CG-CE3 4.32Å; F244-W246 HydrophobicContact CB-CZ3 4.08Å; F244-W246 WeakPolarHBondContact O-CZ3 3.25Å; W246-D250 VanDerWaalsContact CA-OD2 3.31Å; W246-D250 WeakPolarHBondContact CA-OD2 3.39Å; W246-D250 HydrophobicContact CB-CB 3.82Å; W246-L251 HydrophobicContact CG-CG 4.36Å; W246-L270 HydrophobicContact CZ2-CD1 4.3Å; W246-L270 HydrophobicContact CZ2-CD2 4.45Å | ||
| 247 | D | 88.7 | Confident | 76.3 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | trans | -102.7 | -176.6 | 167.8 | 56.1 | 44 | 0 | 0 | 0 | 111.7 | V161 R165 R236 E249 D250 L251 | V161-D247 HydrophobicContact CG1-CB 4.22Å; R165-D247 IonicContact CZ-OD2 2.73Å; R165-D247 IonicContact NH1-OD2 3.77Å; R165-D247 PolarHBondContact NH1-OD2 2.74Å; R165-D247 VanDerWaalsContact NH2-N 3.18Å; R165-D247 IonicContact NH2-OD2 3.11Å; R165-D247 PolarHBondContact NH2-OD2 2.82Å; R236-D247 IonicContact NH1-OD1 3.73Å; R236-D247 PolarHBondContact NH1-OD1 3.21Å; R236-D247 IonicContact NH1-OD2 3.85Å; R236-D247 PolarHBondContact NH1-OD2 2.96Å; D247-E249 VanDerWaalsContact C-N 3.27Å; D247-E249 PolarHBondContact O-N 3.38Å; D247-E249 WeakPolarHBondContact OD1-CB 3.41Å; D247-E249 PolarHBondContact OD1-N 3.21Å; D247-E249 VanDerWaalsContact OD1-OE2 3.12Å; D247-D250 PolarHBondContact N-OD2 3.43Å; D247-D250 PolarHBondContact O-N 3.48Å; D247-D250 PolarHBondContact OD1-N 3.26Å; D247-L251 WeakPolarHBondContact O-CD1 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.33Å; D247-L251 PolarHBondContact O-N 3.21Å | ||
| 248 | I | 86.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 57 Ų | 57 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.9 | -34 | -176.8 | -66.1 | 174.4 | 0 | 0 | 0 | 110.2 | H154 I176 A178 T183 L251 F252 | H154-I248 WeakPolarHBondContact ND1-CD1 3.22Å; I176-I248 HydrophobicContact CB-CG1 4.31Å; I176-I248 HydrophobicContact CD1-CG1 4.18Å; I176-I248 HydrophobicContact CG2-CD1 3.94Å; I176-I248 HydrophobicContact CG2-CG1 3.8Å; A178-I248 HydrophobicContact CB-CD1 4.06Å; T183-I248 HydrophobicContact CG2-CG2 4.46Å; I248-L251 PolarHBondContact O-N 3.01Å; I248-F252 WeakPolarHBondContact O-CB 3.49Å; I248-F252 PolarHBondContact O-N 3.44Å |
| 249 | E | 87.5 | Confident | 79.2 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.7 | -61.9 | 80.5 | 175.7 | 0 | 0 | 111.2 | D247 L251 F252 N253 | D247-E249 VanDerWaalsContact C-N 3.27Å; D247-E249 PolarHBondContact O-N 3.38Å; D247-E249 WeakPolarHBondContact OD1-CB 3.41Å; D247-E249 PolarHBondContact OD1-N 3.21Å; D247-E249 VanDerWaalsContact OD1-OE2 3.12Å; E249-L251 VanDerWaalsContact C-N 3.33Å; E249-L251 PolarHBondContact O-N 3.44Å; E249-F252 WeakPolarHBondContact O-CB 3.22Å; E249-F252 PolarHBondContact O-N 3.02Å; E249-N253 PolarHBondContact O-N 3.47Å |
| 250 | D | 87.3 | Confident | 81 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.5 | -56.1 | -32.8 | 0 | 0 | 0 | 111.4 | R165 E232 R236 W246 D247 F252 N253 V254 | R165-D250 IonicContact CZ-OD2 2.61Å; R165-D250 IonicContact NH2-OD2 3.93Å; R165-D250 PolarHBondContact NH2-OD2 3.31Å; E232-D250 HydrophobicContact CB-CB 4.47Å; R236-D250 IonicContact CZ-OD1 2.72Å; R236-D250 IonicContact NE-OD1 3.63Å; R236-D250 IonicContact NH1-OD1 3.5Å; W246-D250 VanDerWaalsContact CA-OD2 3.31Å; W246-D250 WeakPolarHBondContact CA-OD2 3.39Å; W246-D250 HydrophobicContact CB-CB 3.82Å; D247-D250 PolarHBondContact N-OD2 3.43Å; D247-D250 PolarHBondContact O-N 3.48Å; D247-D250 PolarHBondContact OD1-N 3.26Å; D250-F252 VanDerWaalsContact C-N 3.3Å; D250-F252 PolarHBondContact O-N 2.91Å; D250-N253 PolarHBondContact O-N 2.9Å; D250-V254 WeakPolarHBondContact O-CG2 3.21Å; D250-V254 PolarHBondContact O-N 3Å |
| 251 | L | 88.2 | Confident | 83 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 176.1 | -74.2 | 158.3 | 0 | 0 | 0 | 112.6 | I176 L229 W246 D247 I248 E249 G255 L265 C266 L270 | I176-L251 HydrophobicContact CB-CD1 4.49Å; L229-L251 HydrophobicContact CD1-CD2 4.47Å; L229-L251 HydrophobicContact CD2-CD2 3.83Å; L229-L251 HydrophobicContact CD2-CG 4.31Å; W246-L251 HydrophobicContact CG-CG 4.36Å; D247-L251 WeakPolarHBondContact O-CD1 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.33Å; D247-L251 PolarHBondContact O-N 3.21Å; I248-L251 PolarHBondContact O-N 3.01Å; E249-L251 VanDerWaalsContact C-N 3.33Å; E249-L251 PolarHBondContact O-N 3.44Å; L251-G255 PolarHBondContact O-N 3.37Å; L251-L265 HydrophobicContact CD2-CD2 3.96Å; L251-L265 HydrophobicContact CD2-CG 4.42Å; L251-C266 WeakPolarHBondContact CD1-SG 3.41Å; L251-L270 HydrophobicContact CD2-CD1 3.59Å |
| 252 | F | 88.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 46 Ų | 46 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -45 | 175.2 | -173.7 | -87.4 | 0 | 0 | 0 | 111.2 | L185 I248 E249 D250 G255 Q256 | L185-F252 HydrophobicContact CD2-CD1 3.82Å; L185-F252 HydrophobicContact CD2-CD2 3.7Å; L185-F252 HydrophobicContact CD2-CE1 3.36Å; L185-F252 HydrophobicContact CD2-CE2 3.23Å; L185-F252 HydrophobicContact CD2-CG 3.99Å; L185-F252 HydrophobicContact CD2-CZ 3.07Å; L185-F252 HydrophobicContact CG-CD2 4.02Å; L185-F252 HydrophobicContact CG-CE2 3.83Å; L185-F252 HydrophobicContact CG-CZ 4.16Å; I248-F252 WeakPolarHBondContact O-CB 3.49Å; I248-F252 PolarHBondContact O-N 3.44Å; E249-F252 WeakPolarHBondContact O-CB 3.22Å; E249-F252 PolarHBondContact O-N 3.02Å; D250-F252 VanDerWaalsContact C-N 3.3Å; D250-F252 PolarHBondContact O-N 2.91Å; F252-G255 PolarHBondContact O-N 3.38Å; F252-Q256 PolarHBondContact O-N 2.98Å |
| 253 | N | 88.8 | Confident | 86.4 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 176.2 | -69.6 | -6.2 | 0 | 0 | 0 | 111.8 | E232 E249 D250 G255 Q256 D257 | E232-N253 HydrophobicContact CG-CB 4.16Å; E232-N253 WeakPolarHBondContact OE2-CB 3.25Å; E232-N253 PolarHBondContact OE2-ND2 2.91Å; E249-N253 PolarHBondContact O-N 3.47Å; D250-N253 PolarHBondContact O-N 2.9Å; N253-G255 VanDerWaalsContact C-N 3.26Å; N253-G255 PolarHBondContact O-N 2.8Å; N253-Q256 WeakPolarHBondContact O-CA 3.4Å; N253-Q256 WeakPolarHBondContact O-CB 3.49Å; N253-Q256 PolarHBondContact O-N 3.04Å; N253-D257 PolarHBondContact O-N 3.04Å |
| 254 | V | 86.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | N228 L229 E232 D250 Q256 D257 C258 | N228-V254 HydrophobicContact CB-CG1 3.99Å; N228-V254 HydrophobicContact CB-CG2 4.06Å; L229-V254 HydrophobicContact CB-CG2 4.47Å; L229-V254 HydrophobicContact CD2-CB 4.09Å; L229-V254 HydrophobicContact CD2-CG1 4.42Å; L229-V254 HydrophobicContact CD2-CG2 3.6Å; L229-V254 HydrophobicContact CG-CB 4.47Å; L229-V254 HydrophobicContact CG-CG1 4.32Å; L229-V254 HydrophobicContact CG-CG2 3.93Å; E232-V254 HydrophobicContact CB-CG2 4.31Å; E232-V254 HydrophobicContact CG-CG2 3.73Å; D250-V254 WeakPolarHBondContact O-CG2 3.21Å; D250-V254 PolarHBondContact O-N 3Å; V254-Q256 VanDerWaalsContact C-N 3.3Å; V254-Q256 PolarHBondContact O-N 3.2Å; V254-D257 PolarHBondContact O-N 2.9Å; V254-C258 WeakPolarHBondContact O-CB 3.4Å; V254-C258 PolarHBondContact O-N 3.08Å; V254-C258 PolarHBondContact O-SG 3.1Å |
| 255 | G | 87.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 L251 F252 N253 Q259 L260 | L185-G255 VanDerWaalsContact CD1-C 3.46Å; L251-G255 PolarHBondContact O-N 3.37Å; F252-G255 PolarHBondContact O-N 3.38Å; N253-G255 VanDerWaalsContact C-N 3.26Å; N253-G255 PolarHBondContact O-N 2.8Å; G255-Q259 CarbonylContact O-C 3.56Å; G255-Q259 WeakPolarHBondContact O-CA 3.47Å; G255-Q259 PolarHBondContact O-N 3.16Å; G255-L260 CarbonylContact C-O 3.56Å; G255-L260 WeakPolarHBondContact CA-O 3.47Å; G255-L260 PolarHBondContact O-N 3.5Å; G255-L260 VanDerWaalsContact O-O 3.12Å |
| 256 | Q | 87.3 | Confident | 88.1 | Confident | 108 Ų | 108 | 39.9 Ų | 39.9 | 51% | 0.505 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 177 | -173.5 | 168.2 | 33.6 | 0 | 0 | 111.9 | L185 F252 N253 V254 Q259 | L185-Q256 HydrophobicContact CD1-CB 4.22Å; F252-Q256 PolarHBondContact O-N 2.98Å; N253-Q256 WeakPolarHBondContact O-CA 3.4Å; N253-Q256 WeakPolarHBondContact O-CB 3.49Å; N253-Q256 PolarHBondContact O-N 3.04Å; V254-Q256 VanDerWaalsContact C-N 3.3Å; V254-Q256 PolarHBondContact O-N 3.2Å; Q256-Q259 PolarHBondContact O-NE2 3.02Å |
| 257 | D | 85.5 | Confident | 88.1 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.5 | -40 | -177.5 | -76.9 | 0.1 | 0 | 0 | 0 | 112.5 | N253 V254 | N253-D257 PolarHBondContact O-N 3.04Å; V254-D257 PolarHBondContact O-N 2.9Å |
| 258 | C | 84.9 | Confident | 88 | Confident | 38 Ų | 38 | 43 Ų | 43 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | -178.5 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | N228 V254 L260 | N228-C258 VanDerWaalsContact CG-SG 3.58Å; N228-C258 PolarHBondContact ND2-SG 2.88Å; V254-C258 WeakPolarHBondContact O-CB 3.4Å; V254-C258 PolarHBondContact O-N 3.08Å; V254-C258 PolarHBondContact O-SG 3.1Å; C258-L260 VanDerWaalsContact C-N 3.27Å; C258-L260 HydrophobicContact CB-CD1 3.69Å; C258-L260 HydrophobicContact CB-CG 3.62Å; C258-L260 WeakPolarHBondContact O-CD2 3.39Å; C258-L260 WeakPolarHBondContact O-CG 3.35Å; C258-L260 PolarHBondContact O-N 2.96Å |
| 259 | Q | 83.1 | Confident | 87.9 | Confident | 168 Ų | 168 | 43.5 Ų | 43.5 | 79% | 0.785 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 39.8 | -173.6 | -62.4 | -66 | -61.4 | 0 | 0 | 113.2 | G255 Q256 | G255-Q259 CarbonylContact O-C 3.56Å; G255-Q259 WeakPolarHBondContact O-CA 3.47Å; G255-Q259 PolarHBondContact O-N 3.16Å; Q256-Q259 PolarHBondContact O-NE2 3.02Å |
| 260 | L | 87 | Confident | 88 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | trans | -108.3 | 148.2 | -179.2 | -53.1 | -179.4 | 0 | 0 | 0 | 111.1 | F221 V225 G255 C258 P262 L265 | F221-L260 HydrophobicContact CE1-CD1 3.73Å; F221-L260 HydrophobicContact CE1-CD2 4.45Å; F221-L260 HydrophobicContact CE2-CD1 3.89Å; F221-L260 HydrophobicContact CE2-CD2 3.47Å; F221-L260 VanDerWaalsContact CE2-CD2 3.47Å; F221-L260 HydrophobicContact CE2-CG 4.26Å; F221-L260 HydrophobicContact CZ-CD1 3.18Å; F221-L260 HydrophobicContact CZ-CD2 3.23Å; F221-L260 HydrophobicContact CZ-CG 3.75Å; V225-L260 HydrophobicContact CG2-CD1 3.72Å; G255-L260 CarbonylContact C-O 3.56Å; G255-L260 WeakPolarHBondContact CA-O 3.47Å; G255-L260 PolarHBondContact O-N 3.5Å; G255-L260 VanDerWaalsContact O-O 3.12Å; C258-L260 VanDerWaalsContact C-N 3.27Å; C258-L260 HydrophobicContact CB-CD1 3.69Å; C258-L260 HydrophobicContact CB-CG 3.62Å; C258-L260 WeakPolarHBondContact O-CD2 3.39Å; C258-L260 WeakPolarHBondContact O-CG 3.35Å; C258-L260 PolarHBondContact O-N 2.96Å; L260-P262 WeakPolarHBondContact O-CD 3.41Å; L260-L265 HydrophobicContact CD1-CD1 4.47Å | ||
| 261 | C | 89.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | trans | -76.9 | 114.4 | 171.4 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | Y263 F264 L265 | C261-Y263 PolarHBondContact O-N 3.48Å; C261-F264 HydrophobicContact CB-CB 4.31Å; C261-F264 HydrophobicContact CB-CD2 3.8Å; C261-F264 PolarHBondContact O-N 2.99Å; C261-L265 VanDerWaalsContact O-CB 3.29Å; C261-L265 WeakPolarHBondContact O-CB 3.43Å; C261-L265 PolarHBondContact O-N 3.16Å | ||
| 262 | P | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -28.3 | -178.5 | -19.7 | 31.4 | 0 | 0 | 0 | 112.3 | T183 L185 L260 C266 | T183-P262 HydrophobicContact CG2-CB 4.44Å; T183-P262 WeakPolarHBondContact O-CD 3.32Å; T183-P262 WeakPolarHBondContact O-CG 3.49Å; L185-P262 HydrophobicContact CD1-CG 3.49Å; L185-P262 VanDerWaalsContact CD1-CG 3.49Å; L185-P262 HydrophobicContact CG-CG 3.85Å; L260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-C266 WeakPolarHBondContact O-CB 3.24Å; P262-C266 PolarHBondContact O-N 3.18Å; P262-C266 PolarHBondContact O-SG 3.03Å |
| 263 | Y | 91.8 | Very high | 88.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -64 | 173.1 | 175.2 | -100.4 | 0 | 0 | 0 | 110.9 | R180 T183 C261 L265 C266 T267 | R180-Y263 HydrophobicContact CG-CD1 4.26Å; R180-Y263 HydrophobicContact CG-CD2 3.68Å; R180-Y263 HydrophobicContact CG-CE2 3.98Å; R180-Y263 HydrophobicContact CG-CG 3.83Å; R180-Y263 PolarHBondContact NH1-OH 3.4Å; R180-Y263 PolarHBondContact NH2-OH 2.96Å; T183-Y263 WeakPolarHBondContact OG1-CB 3.34Å; C261-Y263 PolarHBondContact O-N 3.48Å; Y263-L265 VanDerWaalsContact C-N 3.26Å; Y263-L265 PolarHBondContact O-N 3.46Å; Y263-C266 PolarHBondContact O-N 3.42Å; Y263-T267 HydrophobicContact CD2-CG2 4.03Å; Y263-T267 HydrophobicContact CE2-CG2 3.73Å; Y263-T267 WeakPolarHBondContact O-CG2 3.28Å; Y263-T267 PolarHBondContact O-N 2.57Å; Y263-T267 PolarHBondContact O-OG1 3.12Å |
| 264 | F | 89.3 | Confident | 88.4 | Confident | 73 Ų | 73 | 41.7 Ų | 41.7 | 32% | 0.32 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -33.4 | 179.8 | -70.9 | -65.9 | 0 | 0 | 0 | 112.8 | I203 C261 C266 D268 F269 | I203-F264 HydrophobicContact CD1-CE1 4.45Å; I203-F264 HydrophobicContact CD1-CE2 3.76Å; I203-F264 HydrophobicContact CD1-CZ 3.34Å; I203-F264 HydrophobicContact CG1-CE2 4.44Å; I203-F264 HydrophobicContact CG1-CZ 4.33Å; C261-F264 HydrophobicContact CB-CB 4.31Å; C261-F264 HydrophobicContact CB-CD2 3.8Å; C261-F264 PolarHBondContact O-N 2.99Å; F264-C266 VanDerWaalsContact C-N 3.28Å; F264-C266 PolarHBondContact O-N 3.44Å; F264-D268 VanDerWaalsContact CD1-OD2 3.24Å; F264-D268 WeakPolarHBondContact CD1-OD2 3.41Å; F264-D268 PolarHBondContact O-N 2.84Å; F264-F269 PolarHBondContact O-N 3.04Å |
| 265 | L | 90.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -56.1 | -45.4 | 173.2 | -178.3 | 61.6 | 0 | 0 | 0 | 110.9 | V225 L251 L260 C261 Y263 F269 L270 | V225-L265 HydrophobicContact CG1-CD1 3.84Å; V225-L265 HydrophobicContact CG2-CD1 4.04Å; L251-L265 HydrophobicContact CD2-CD2 3.96Å; L251-L265 HydrophobicContact CD2-CG 4.42Å; L260-L265 HydrophobicContact CD1-CD1 4.47Å; C261-L265 VanDerWaalsContact O-CB 3.29Å; C261-L265 WeakPolarHBondContact O-CB 3.43Å; C261-L265 PolarHBondContact O-N 3.16Å; Y263-L265 VanDerWaalsContact C-N 3.26Å; Y263-L265 PolarHBondContact O-N 3.46Å; L265-F269 HydrophobicContact CD1-CB 4.45Å; L265-F269 HydrophobicContact CD1-CD1 3.86Å; L265-L270 HydrophobicContact CD1-CD1 4.4Å; L265-L270 HydrophobicContact CD1-CG 4.17Å; L265-L270 HydrophobicContact CG-CD1 4.05Å; L265-L270 HydrophobicContact CG-CG 4.27Å; L265-L270 VanDerWaalsContact O-CB 3.27Å; L265-L270 WeakPolarHBondContact O-CB 3.1Å; L265-L270 VanDerWaalsContact O-CG 3.27Å; L265-L270 WeakPolarHBondContact O-CG 3.18Å; L265-L270 PolarHBondContact O-N 3.4Å |
| 266 | C | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -82.5 | -41.5 | -177.8 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | T175 I176 L251 P262 Y263 F264 Y271 | T175-C266 PolarHBondContact OG1-O 2.86Å; I176-C266 VanDerWaalsContact O-CB 3.32Å; I176-C266 WeakPolarHBondContact O-CB 3.29Å; L251-C266 WeakPolarHBondContact CD1-SG 3.41Å; P262-C266 WeakPolarHBondContact O-CB 3.24Å; P262-C266 PolarHBondContact O-N 3.18Å; P262-C266 PolarHBondContact O-SG 3.03Å; Y263-C266 PolarHBondContact O-N 3.42Å; F264-C266 VanDerWaalsContact C-N 3.28Å; F264-C266 PolarHBondContact O-N 3.44Å; C266-Y271 WeakPolarHBondContact O-CB 3.15Å; C266-Y271 PolarHBondContact O-N 2.76Å |
| 267 | T | 88.6 | Confident | 89.7 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -84.6 | -27.8 | -169.7 | 54.9 | 0 | 0 | 0 | 0 | 114 | L177 Y263 Y271 M293 | L177-T267 HydrophobicContact CD2-CG2 4.47Å; Y263-T267 HydrophobicContact CD2-CG2 4.03Å; Y263-T267 HydrophobicContact CE2-CG2 3.73Å; Y263-T267 WeakPolarHBondContact O-CG2 3.28Å; Y263-T267 PolarHBondContact O-N 2.57Å; Y263-T267 PolarHBondContact O-OG1 3.12Å; T267-Y271 VanDerWaalsContact O-CB 3.25Å; T267-Y271 WeakPolarHBondContact O-CB 3.4Å; T267-M293 HydrophobicContact CG2-CE 3.41Å; T267-M293 VanDerWaalsContact CG2-CE 3.41Å |
| 268 | D | 84.9 | Confident | 90.2 | Very high | 70 Ų | 70 | 35 Ų | 35 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -118.5 | -54.3 | -174.8 | -59 | -87.9 | 0 | 0 | 0 | 110.4 | F264 R272 | F264-D268 VanDerWaalsContact CD1-OD2 3.24Å; F264-D268 WeakPolarHBondContact CD1-OD2 3.41Å; F264-D268 PolarHBondContact O-N 2.84Å; D268-R272 PolarHBondContact O-N 2.86Å |
| 269 | F | 85.7 | Confident | 90.8 | Very high | 29 Ų | 29 | 33.2 Ų | 33.2 | 13% | 0.127 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -72.7 | -66 | -172.9 | -169.2 | -106.5 | 0 | 0 | 0 | 113 | R218 F221 L222 V225 F264 L265 Y271 R272 Y273 | R218-F269 HydrophobicContact CB-CE2 4.2Å; R218-F269 HydrophobicContact CG-CE2 4.03Å; F221-F269 HydrophobicContact CB-CZ 4.48Å; F221-F269 HydrophobicContact CD1-CD1 4.3Å; F221-F269 HydrophobicContact CD1-CD2 4.43Å; F221-F269 AromaticContact CD1-CE1 3.67Å; F221-F269 HydrophobicContact CD1-CE1 3.67Å; F221-F269 AromaticContact CD1-CE2 3.86Å; F221-F269 HydrophobicContact CD1-CE2 3.86Å; F221-F269 AromaticContact CD1-CZ 3.45Å; F221-F269 HydrophobicContact CD1-CZ 3.45Å; F221-F269 VanDerWaalsContact CD1-CZ 3.45Å; F221-F269 HydrophobicContact CE1-CD1 4.23Å; F221-F269 HydrophobicContact CE1-CE1 4.04Å; F221-F269 HydrophobicContact CE1-CE2 4.41Å; F221-F269 HydrophobicContact CE1-CG 4.48Å; F221-F269 HydrophobicContact CE1-CZ 4.16Å; F221-F269 HydrophobicContact CG-CZ 4.44Å; L222-F269 HydrophobicContact CB-CE1 4.11Å; L222-F269 HydrophobicContact CB-CZ 3.68Å; L222-F269 HydrophobicContact CD1-CD1 4.3Å; L222-F269 HydrophobicContact CD1-CE1 3.39Å; L222-F269 HydrophobicContact CD1-CZ 3.68Å; L222-F269 HydrophobicContact CG-CE1 4.36Å; L222-F269 HydrophobicContact CG-CZ 4.27Å; V225-F269 HydrophobicContact CB-CE1 4.44Å; V225-F269 HydrophobicContact CG2-CE1 4.24Å; F264-F269 PolarHBondContact O-N 3.04Å; L265-F269 HydrophobicContact CD1-CB 4.45Å; L265-F269 HydrophobicContact CD1-CD1 3.86Å; F269-Y271 VanDerWaalsContact C-N 3.31Å; F269-Y271 PolarHBondContact O-N 2.96Å; F269-R272 WeakPolarHBondContact O-CB 3.16Å; F269-R272 PolarHBondContact O-N 2.98Å; F269-Y273 HydrophobicContact CE2-CE2 4.38Å; F269-Y273 WeakPolarHBondContact O-CD2 3.31Å |
| 270 | L | 90.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 179.6 | -66.9 | 176.4 | 0 | 0 | 0 | 112 | V225 Y226 L229 W246 L251 L265 R272 Y273 A274 | V225-L270 HydrophobicContact CG1-CD2 4.19Å; Y226-L270 HydrophobicContact CE1-CD2 4.08Å; L229-L270 HydrophobicContact CD1-CD1 4.36Å; W246-L270 HydrophobicContact CZ2-CD1 4.3Å; W246-L270 HydrophobicContact CZ2-CD2 4.45Å; L251-L270 HydrophobicContact CD2-CD1 3.59Å; L265-L270 HydrophobicContact CD1-CD1 4.4Å; L265-L270 HydrophobicContact CD1-CG 4.17Å; L265-L270 HydrophobicContact CG-CD1 4.05Å; L265-L270 HydrophobicContact CG-CG 4.27Å; L265-L270 VanDerWaalsContact O-CB 3.27Å; L265-L270 WeakPolarHBondContact O-CB 3.1Å; L265-L270 VanDerWaalsContact O-CG 3.27Å; L265-L270 WeakPolarHBondContact O-CG 3.18Å; L265-L270 PolarHBondContact O-N 3.4Å; L270-R272 PolarHBondContact O-N 3.13Å; L270-Y273 PolarHBondContact O-N 3.27Å; L270-A274 VanDerWaalsContact O-CB 3.25Å; L270-A274 WeakPolarHBondContact O-CB 3.42Å; L270-A274 PolarHBondContact O-N 2.95Å |
| 271 | Y | 92 | Very high | 91.8 | Very high | 32 Ų | 32 | 24 Ų | 24 | 13% | 0.125 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.2 | -34.7 | 177.2 | 177.5 | -103.5 | 0 | 0 | 0 | 113.1 | K146 F148 T175 L177 C266 T267 F269 I277 | K146-Y271 PolarHBondContact NZ-O 3.42Å; F148-Y271 HydrophobicContact CE1-CE2 4.08Å; F148-Y271 HydrophobicContact CZ-CE2 4.16Å; T175-Y271 HydrophobicContact CG2-CD2 4.46Å; L177-Y271 HydrophobicContact CD2-CD2 4.02Å; C266-Y271 WeakPolarHBondContact O-CB 3.15Å; C266-Y271 PolarHBondContact O-N 2.76Å; T267-Y271 VanDerWaalsContact O-CB 3.25Å; T267-Y271 WeakPolarHBondContact O-CB 3.4Å; F269-Y271 VanDerWaalsContact C-N 3.31Å; F269-Y271 PolarHBondContact O-N 2.96Å; Y271-I277 HydrophobicContact CD2-CG1 4.06Å; Y271-I277 HydrophobicContact CD2-CG2 4.34Å; Y271-I277 HydrophobicContact CE2-CD1 4.42Å; Y271-I277 HydrophobicContact CE2-CG1 4.18Å; Y271-I277 HydrophobicContact CE2-CG2 4.42Å |
| 272 | R | 87.3 | Confident | 92 | Very high | 93 Ų | 93 | 24 Ų | 24 | 35% | 0.351 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 179 | -171.2 | 171.1 | 176.3 | 118.1 | -10.9 | 111.4 | K146 E215 D268 F269 L270 | K146-R272 PolarHBondContact NZ-O 3.02Å; E215-R272 IonicContact OE1-NH2 2.75Å; D268-R272 PolarHBondContact O-N 2.86Å; F269-R272 WeakPolarHBondContact O-CB 3.16Å; F269-R272 PolarHBondContact O-N 2.98Å; L270-R272 PolarHBondContact O-N 3.13Å |
| 273 | Y | 87.7 | Confident | 92.2 | Very high | 53 Ų | 53 | 24.9 Ų | 24.9 | 21% | 0.208 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -91.1 | -15.5 | -174.6 | -54.1 | -80.7 | 0 | 0 | 0 | 114.2 | S173 L222 F269 L270 K275 | S173-Y273 PolarHBondContact OG-O 2.96Å; L222-Y273 HydrophobicContact CD1-CD2 3.97Å; L222-Y273 HydrophobicContact CD1-CE2 4.22Å; L222-Y273 HydrophobicContact CD2-CD1 4.17Å; L222-Y273 HydrophobicContact CD2-CD2 4.11Å; L222-Y273 HydrophobicContact CD2-CE1 4.11Å; L222-Y273 HydrophobicContact CD2-CE2 4.08Å; L222-Y273 HydrophobicContact CD2-CG 4.17Å; F269-Y273 HydrophobicContact CE2-CE2 4.38Å; F269-Y273 WeakPolarHBondContact O-CD2 3.31Å; L270-Y273 PolarHBondContact O-N 3.27Å; Y273-K275 PolarHBondContact O-N 2.91Å |
| 274 | A | 92.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | trans | -63.4 | 128.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K146 T175 L270 I277 | K146-A274 WeakPolarHBondContact CE-O 3.41Å; T175-A274 HydrophobicContact CG2-CB 3.73Å; L270-A274 VanDerWaalsContact O-CB 3.25Å; L270-A274 WeakPolarHBondContact O-CB 3.42Å; L270-A274 PolarHBondContact O-N 2.95Å; A274-I277 HydrophobicContact CB-CG1 4Å | ||
| 275 | K | 94.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 20.8 Ų | 20.8 | 27% | 0.265 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -83.4 | -33.2 | 170.4 | -75.4 | -179.2 | -179.2 | -168.7 | 0 | 111.2 | Q58 E62 I147 I172 S173 Y273 | Q58-K275 PolarHBondContact NE2-O 3.42Å; E62-K275 IonicContact OE1-NZ 2.76Å; E62-K275 PolarHBondContact OE1-NZ 3.46Å; E62-K275 IonicContact OE2-NZ 2.72Å; E62-K275 PolarHBondContact OE2-NZ 3.24Å; I147-K275 PolarHBondContact N-O 3.46Å; I172-K275 HydrophobicContact CD1-CB 3.94Å; I172-K275 HydrophobicContact CD1-CD 3.97Å; I172-K275 HydrophobicContact CG1-CB 4.18Å; S173-K275 PolarHBondContact O-N 2.96Å; S173-K275 VanDerWaalsContact OG-CG 3.31Å; S173-K275 WeakPolarHBondContact OG-CG 3.29Å; S173-K275 PolarHBondContact OG-N 3.48Å; Y273-K275 PolarHBondContact O-N 2.91Å |
| 276 | V | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.1 | 173.4 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | L55 I147 F149 I172 S173 M174 T175 F278 | L55-V276 HydrophobicContact CD2-CB 4.3Å; I147-V276 HydrophobicContact CB-CG2 4.3Å; I147-V276 HydrophobicContact CG2-CG2 4.21Å; I147-V276 CarbonylContact O-C 3.53Å; I147-V276 WeakPolarHBondContact O-CA 3.22Å; F149-V276 HydrophobicContact CB-CG2 4.29Å; I172-V276 HydrophobicContact CG1-CG1 3.94Å; I172-V276 HydrophobicContact CG2-CG1 3.98Å; S173-V276 PolarHBondContact O-N 2.99Å; M174-V276 CarbonylContact C-O 3.6Å; M174-V276 WeakPolarHBondContact CA-O 3.38Å; M174-V276 HydrophobicContact CB-CG1 3.46Å; M174-V276 VanDerWaalsContact CB-CG1 3.46Å; T175-V276 PolarHBondContact N-O 3.49Å; V276-F278 HydrophobicContact CG1-CE2 4.01Å; V276-F278 HydrophobicContact CG2-CE2 3.97Å; V276-F278 HydrophobicContact CG2-CZ 4.09Å |
| 277 | I | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.1 | -178.1 | -60.7 | 107.3 | 0 | 0 | 0 | 108.4 | K146 I147 F148 F149 T175 L177 Y271 A274 | K146-I277 HydrophobicContact CB-CD1 3.77Å; K146-I277 HydrophobicContact CD-CD1 3.85Å; K146-I277 HydrophobicContact CG-CD1 4.08Å; I147-I277 PolarHBondContact O-N 2.8Å; F148-I277 CarbonylContact C-O 3.54Å; F148-I277 WeakPolarHBondContact CA-O 3.34Å; F148-I277 HydrophobicContact CD1-CB 3.9Å; F148-I277 HydrophobicContact CD1-CG2 3.88Å; F148-I277 HydrophobicContact CE1-CB 4.09Å; F148-I277 HydrophobicContact CE1-CD1 4.24Å; F148-I277 HydrophobicContact CE1-CG1 4.45Å; F148-I277 HydrophobicContact CE1-CG2 3.92Å; F148-I277 HydrophobicContact CE2-CD1 4.49Å; F148-I277 HydrophobicContact CZ-CD1 4.22Å; F149-I277 PolarHBondContact N-O 3.14Å; T175-I277 HydrophobicContact CG2-CB 4.21Å; T175-I277 HydrophobicContact CG2-CG1 3.83Å; T175-I277 HydrophobicContact CG2-CG2 3.92Å; L177-I277 HydrophobicContact CD1-CG2 3.69Å; L177-I277 HydrophobicContact CD2-CG2 4.21Å; L177-I277 HydrophobicContact CG-CG2 3.6Å; Y271-I277 HydrophobicContact CD2-CG1 4.06Å; Y271-I277 HydrophobicContact CD2-CG2 4.34Å; Y271-I277 HydrophobicContact CE2-CD1 4.42Å; Y271-I277 HydrophobicContact CE2-CG1 4.18Å; Y271-I277 HydrophobicContact CE2-CG2 4.42Å; A274-I277 HydrophobicContact CB-CG1 4Å |
| 278 | F | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.3 | 173.7 | -66.2 | -87.1 | 0 | 0 | 0 | 110.3 | L51 F149 L160 L164 M174 T175 I176 L177 V276 | L51-F278 HydrophobicContact CD2-CE1 4.04Å; L51-F278 HydrophobicContact CD2-CZ 3.97Å; F149-F278 HydrophobicContact CB-CD1 3.97Å; F149-F278 HydrophobicContact CB-CE1 3.89Å; F149-F278 HydrophobicContact CD1-CE1 4.29Å; F149-F278 HydrophobicContact CG-CD1 4.49Å; F149-F278 HydrophobicContact CG-CE1 4.12Å; F149-F278 VanDerWaalsContact O-CA 3.32Å; F149-F278 WeakPolarHBondContact O-CA 2.72Å; L160-F278 HydrophobicContact CB-CD1 4.26Å; L160-F278 HydrophobicContact CB-CE1 4.01Å; L160-F278 HydrophobicContact CD1-CD1 4.43Å; L164-F278 HydrophobicContact CD2-CE2 3.81Å; L164-F278 HydrophobicContact CD2-CZ 3.87Å; M174-F278 HydrophobicContact CB-CE2 4.45Å; M174-F278 HydrophobicContact CE-CD2 3.71Å; M174-F278 HydrophobicContact CE-CE2 3.81Å; M174-F278 HydrophobicContact SD-CE2 4.14Å; T175-F278 PolarHBondContact O-N 2.72Å; I176-F278 CarbonylContact C-O 3.54Å; I176-F278 WeakPolarHBondContact CA-O 3.23Å; I176-F278 HydrophobicContact CG1-CB 4.16Å; I176-F278 HydrophobicContact CG2-CB 4.35Å; L177-F278 PolarHBondContact N-O 3.06Å; V276-F278 HydrophobicContact CG1-CE2 4.01Å; V276-F278 HydrophobicContact CG2-CE2 3.97Å; V276-F278 HydrophobicContact CG2-CZ 4.09Å |
| 279 | C | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.4 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | F149 C150 S151 L177 Y281 Y283 | F149-C279 PolarHBondContact O-N 3.4Å; C150-C279 WeakPolarHBondContact CA-O 3.34Å; C150-C279 VanDerWaalsContact CB-O 3.29Å; C150-C279 WeakPolarHBondContact CB-O 3.32Å; S151-C279 PolarHBondContact N-O 2.88Å; L177-C279 HydrophobicContact CB-CB 3.76Å; L177-C279 HydrophobicContact CD1-CB 4.03Å; L177-C279 HydrophobicContact CG-CB 4.13Å; C279-Y281 PolarHBondContact O-N 3.46Å; C279-Y283 HydrophobicContact CB-CD2 4.4Å |
| 280 | P | 95.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 136.7 | 165.6 | -24.8 | 37.9 | 0 | 0 | 0 | 109.9 | S151 L157 N282 Y283 | S151-P280 CarbonylContact O-C 3.55Å; S151-P280 VanDerWaalsContact O-CA 3.29Å; S151-P280 WeakPolarHBondContact O-CA 3.44Å; L157-P280 HydrophobicContact CD1-CG 4.1Å; P280-N282 WeakPolarHBondContact CB-OD1 3.33Å; P280-N282 PolarHBondContact O-N 3.39Å; P280-N282 VanDerWaalsContact O-N 3.15Å; P280-Y283 HydrophobicContact CB-CD1 3.85Å; P280-Y283 HydrophobicContact CB-CE1 3.96Å; P280-Y283 HydrophobicContact CG-CD1 4.09Å; P280-Y283 HydrophobicContact CG-CE1 3.78Å; P280-Y283 WeakPolarHBondContact O-CB 3.27Å; P280-Y283 PolarHBondContact O-N 3.37Å |
| 281 | Y | 95.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.7 | -176 | 53.7 | -115.8 | 0 | 0 | 0 | 113.5 | S151 R152 C279 Y283 L284 L285 I304 V313 | S151-Y281 WeakPolarHBondContact O-CD1 3.5Å; S151-Y281 PolarHBondContact O-N 2.9Å; R152-Y281 HydrophobicContact CB-CE1 3.55Å; R152-Y281 WeakPolarHBondContact CB-OH 3.12Å; R152-Y281 HydrophobicContact CG-CE1 4.24Å; R152-Y281 VanDerWaalsContact CG-OH 3.28Å; R152-Y281 WeakPolarHBondContact CG-OH 3.47Å; C279-Y281 PolarHBondContact O-N 3.46Å; Y281-Y283 PolarHBondContact O-N 3.42Å; Y281-L284 PolarHBondContact O-N 2.68Å; Y281-L285 HydrophobicContact CD2-CD1 3.76Å; Y281-L285 HydrophobicContact CE2-CD1 4.46Å; Y281-L285 WeakPolarHBondContact O-CG 3.29Å; Y281-L285 PolarHBondContact O-N 3.07Å; Y281-L285 VanDerWaalsContact O-N 3.12Å; Y281-I304 HydrophobicContact CD1-CG2 3.48Å; Y281-I304 VanDerWaalsContact CD1-CG2 3.48Å; Y281-I304 HydrophobicContact CE1-CG2 4.12Å; Y281-I304 HydrophobicContact CG-CG2 3.97Å; Y281-V313 HydrophobicContact CD2-CG1 4.16Å; Y281-V313 HydrophobicContact CE2-CB 3.99Å; Y281-V313 HydrophobicContact CE2-CG1 3.88Å; Y281-V313 HydrophobicContact CE2-CG2 3.62Å |
| 282 | N | 94.9 | Very high | 93.4 | Very high | 54 Ų | 54 | 29 Ų | 29 | 29% | 0.289 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.7 | -22.6 | 172.6 | 68.8 | -67.3 | 0 | 0 | 0 | 111.9 | P280 L284 L285 D286 V313 | P280-N282 WeakPolarHBondContact CB-OD1 3.33Å; P280-N282 PolarHBondContact O-N 3.39Å; P280-N282 VanDerWaalsContact O-N 3.15Å; N282-L284 PolarHBondContact O-N 3.38Å; N282-L285 PolarHBondContact O-N 3.48Å; N282-D286 WeakPolarHBondContact O-CB 3.33Å; N282-D286 PolarHBondContact O-N 3.16Å; N282-V313 HydrophobicContact CB-CG1 4.21Å |
| 283 | Y | 95.5 | Very high | 93.4 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 7% | 0.071 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -21.1 | 175.3 | -72.5 | 35.7 | 0 | 0 | 0 | 111.8 | L177 S179 C279 P280 Y281 V289 R290 M293 | L177-Y283 HydrophobicContact CB-CD2 4.17Å; L177-Y283 HydrophobicContact CB-CE2 4.24Å; S179-Y283 PolarHBondContact N-OH 3.06Å; S179-Y283 VanDerWaalsContact N-OH 3.15Å; C279-Y283 HydrophobicContact CB-CD2 4.4Å; P280-Y283 HydrophobicContact CB-CD1 3.85Å; P280-Y283 HydrophobicContact CB-CE1 3.96Å; P280-Y283 HydrophobicContact CG-CD1 4.09Å; P280-Y283 HydrophobicContact CG-CE1 3.78Å; P280-Y283 WeakPolarHBondContact O-CB 3.27Å; P280-Y283 PolarHBondContact O-N 3.37Å; Y281-Y283 PolarHBondContact O-N 3.42Å; Y283-V289 HydrophobicContact CD1-CG1 3.91Å; Y283-V289 HydrophobicContact CD2-CG1 4.36Å; Y283-V289 HydrophobicContact CE1-CG1 4.43Å; Y283-V289 HydrophobicContact CG-CG1 3.86Å; Y283-R290 WeakPolarHBondContact O-CA 3.49Å; Y283-R290 VanDerWaalsContact O-CB 3.3Å; Y283-R290 WeakPolarHBondContact O-CB 3.4Å; Y283-M293 HydrophobicContact CD2-CE 4.01Å; Y283-M293 HydrophobicContact CD2-CG 4.06Å; Y283-M293 HydrophobicContact CE2-CE 3.79Å; Y283-M293 HydrophobicContact CE2-CG 4.36Å; Y283-M293 HydrophobicContact CE2-SD 4.28Å |
| 284 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -96.8 | -32.5 | 177.3 | -51.5 | -167.6 | 0 | 0 | 0 | 112.6 | F148 C150 Y281 N282 R290 I295 L297 V302 V520 | F148-L284 HydrophobicContact CB-CD1 3.95Å; F148-L284 HydrophobicContact CD1-CD1 4.5Å; F148-L284 HydrophobicContact CD1-CD2 3.93Å; F148-L284 HydrophobicContact CE1-CD2 4.3Å; F148-L284 HydrophobicContact CG-CD1 4.33Å; F148-L284 HydrophobicContact CG-CD2 4.48Å; C150-L284 WeakPolarHBondContact SG-CD1 3.35Å; Y281-L284 PolarHBondContact O-N 2.68Å; N282-L284 PolarHBondContact O-N 3.38Å; L284-R290 WeakPolarHBondContact O-CD 3.46Å; L284-I295 HydrophobicContact CD2-CD1 4.09Å; L284-I295 HydrophobicContact CD2-CG2 3.89Å; L284-L297 HydrophobicContact CD1-CD2 4.34Å; L284-L297 HydrophobicContact CD2-CD2 4.14Å; L284-V302 HydrophobicContact CD1-CG1 3.73Å; L284-V302 HydrophobicContact CD1-CG2 4.32Å; L284-V520 WeakPolarHBondContact O-CG2 3.26Å |
| 285 | L | 96 | Very high | 93.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -89 | -33 | -174.5 | -62 | 170.8 | 0 | 0 | 0 | 112.9 | Y281 N282 P287 I310 V313 F517 V520 | Y281-L285 HydrophobicContact CD2-CD1 3.76Å; Y281-L285 HydrophobicContact CE2-CD1 4.46Å; Y281-L285 WeakPolarHBondContact O-CG 3.29Å; Y281-L285 PolarHBondContact O-N 3.07Å; Y281-L285 VanDerWaalsContact O-N 3.12Å; N282-L285 PolarHBondContact O-N 3.48Å; L285-P287 WeakPolarHBondContact O-CD 3.31Å; L285-I310 HydrophobicContact CD1-CD1 4.14Å; L285-I310 HydrophobicContact CD1-CG1 3.63Å; L285-I310 HydrophobicContact CD2-CD1 4.49Å; L285-V313 HydrophobicContact CD1-CB 4.43Å; L285-V313 HydrophobicContact CD1-CG1 3.92Å; L285-F517 HydrophobicContact CD2-CD2 3.89Å; L285-F517 HydrophobicContact CD2-CE2 4.42Å; L285-V520 HydrophobicContact CD2-CG2 3.98Å |
| 286 | D | 95.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 32 Ų | 32 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | trans | -82.1 | 115.7 | 177.3 | -175.9 | -41.2 | 0 | 0 | 0 | 109.6 | N282 L288 V289 R290 | N282-D286 WeakPolarHBondContact O-CB 3.33Å; N282-D286 PolarHBondContact O-N 3.16Å; D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 3.12Å; D286-L288 WeakPolarHBondContact OD1-CA 3.31Å; D286-L288 WeakPolarHBondContact OD1-CB 3.46Å; D286-L288 PolarHBondContact OD1-N 3.39Å; D286-V289 HydrophobicContact CB-CB 3.96Å; D286-V289 HydrophobicContact CB-CG2 3.86Å; D286-V289 PolarHBondContact O-N 2.65Å; D286-V289 PolarHBondContact OD1-N 3.48Å; D286-R290 WeakPolarHBondContact O-CB 3.25Å; D286-R290 PolarHBondContact O-N 3.17Å | ||
| 287 | P | 91.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -32.2 | -176.1 | 27.7 | -34.4 | 0 | 0 | 0 | 113 | L285 K291 S317 V318 Y446 Y450 | L285-P287 WeakPolarHBondContact O-CD 3.31Å; P287-K291 VanDerWaalsContact O-CB 3.28Å; P287-K291 WeakPolarHBondContact O-CB 3.3Å; P287-K291 PolarHBondContact O-N 3.48Å; P287-S317 WeakPolarHBondContact CD-O 3.49Å; P287-V318 HydrophobicContact CG-CG1 4.33Å; P287-Y446 HydrophobicContact CB-CD1 4.12Å; P287-Y446 HydrophobicContact CB-CE1 3.75Å; P287-Y446 HydrophobicContact CG-CD1 4.1Å; P287-Y446 HydrophobicContact CG-CE1 4.24Å; P287-Y450 HydrophobicContact CB-CE2 4.34Å; P287-Y450 WeakPolarHBondContact CB-OH 3.3Å; P287-Y450 HydrophobicContact CG-CE2 3.72Å; P287-Y450 WeakPolarHBondContact CG-OH 3.41Å |
| 288 | L | 90.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -45.8 | 176.5 | -66.3 | 177.3 | 0 | 0 | 0 | 110.2 | D286 K291 S292 F320 E442 K443 Y446 | D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 3.12Å; D286-L288 WeakPolarHBondContact OD1-CA 3.31Å; D286-L288 WeakPolarHBondContact OD1-CB 3.46Å; D286-L288 PolarHBondContact OD1-N 3.39Å; L288-K291 PolarHBondContact O-N 3.21Å; L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.47Å; L288-S292 PolarHBondContact O-N 3.24Å; L288-F320 HydrophobicContact CD1-CD1 4.48Å; L288-F320 HydrophobicContact CD1-CE1 3.93Å; L288-F320 HydrophobicContact CG-CE1 4.42Å; L288-E442 HydrophobicContact CD2-CB 3.95Å; L288-K443 HydrophobicContact CD1-CG 4.4Å; L288-Y446 HydrophobicContact CD2-CD2 3.35Å; L288-Y446 HydrophobicContact CD2-CE2 3.52Å; L288-Y446 HydrophobicContact CD2-CG 3.91Å; L288-Y446 HydrophobicContact CG-CD2 4.42Å |
| 289 | V | 92.1 | Very high | 93 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | Y283 D286 K291 S292 M293 | Y283-V289 HydrophobicContact CD1-CG1 3.91Å; Y283-V289 HydrophobicContact CD2-CG1 4.36Å; Y283-V289 HydrophobicContact CE1-CG1 4.43Å; Y283-V289 HydrophobicContact CG-CG1 3.86Å; D286-V289 HydrophobicContact CB-CB 3.96Å; D286-V289 HydrophobicContact CB-CG2 3.86Å; D286-V289 PolarHBondContact O-N 2.65Å; D286-V289 PolarHBondContact OD1-N 3.48Å; V289-K291 PolarHBondContact O-N 3.04Å; V289-S292 PolarHBondContact O-N 3.02Å; V289-M293 HydrophobicContact CG1-CG 4.04Å; V289-M293 WeakPolarHBondContact O-CB 3.49Å; V289-M293 VanDerWaalsContact O-CG 3.24Å; V289-M293 WeakPolarHBondContact O-CG 3.37Å; V289-M293 PolarHBondContact O-N 3.4Å |
| 290 | R | 93.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | -179.6 | -165.2 | 174.4 | 51.3 | 172.4 | 7.9 | 112.2 | Y283 L284 D286 K294 I295 D519 | Y283-R290 WeakPolarHBondContact O-CA 3.49Å; Y283-R290 VanDerWaalsContact O-CB 3.3Å; Y283-R290 WeakPolarHBondContact O-CB 3.4Å; L284-R290 WeakPolarHBondContact O-CD 3.46Å; D286-R290 WeakPolarHBondContact O-CB 3.25Å; D286-R290 PolarHBondContact O-N 3.17Å; R290-K294 PolarHBondContact O-N 3.36Å; R290-K294 VanDerWaalsContact O-N 3.16Å; R290-I295 HydrophobicContact CG-CB 3.82Å; R290-I295 HydrophobicContact CG-CG2 4.22Å; R290-I295 PolarHBondContact O-N 3.45Å; R290-D519 IonicContact CZ-OD1 3.47Å; R290-D519 IonicContact CZ-OD2 3.54Å; R290-D519 IonicContact NH1-OD1 3.61Å; R290-D519 PolarHBondContact NH1-OD1 3.07Å; R290-D519 IonicContact NH1-OD2 3.21Å; R290-D519 IonicContact NH2-OD1 2.7Å; R290-D519 PolarHBondContact NH2-OD1 2.98Å; R290-D519 IonicContact NH2-OD2 2.83Å; R290-D519 PolarHBondContact NH2-OD2 3.09Å |
| 291 | K | 87.9 | Confident | 93.2 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 42% | 0.422 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -49.5 | 172.7 | -178.9 | -176.6 | 173.8 | -160.7 | 0 | 111.1 | P287 L288 V289 M293 K294 E442 Y446 | P287-K291 VanDerWaalsContact O-CB 3.28Å; P287-K291 WeakPolarHBondContact O-CB 3.3Å; P287-K291 PolarHBondContact O-N 3.48Å; L288-K291 PolarHBondContact O-N 3.21Å; V289-K291 PolarHBondContact O-N 3.04Å; K291-M293 VanDerWaalsContact C-N 3.29Å; K291-M293 PolarHBondContact O-N 3.17Å; K291-K294 PolarHBondContact O-N 2.97Å; K291-E442 IonicContact NZ-OE1 2.95Å; K291-E442 PolarHBondContact NZ-OE1 3.18Å; K291-Y446 WeakPolarHBondContact CD-OH 3.32Å |
| 292 | S | 85.8 | Confident | 93.3 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | L288 V289 K294 | L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.47Å; L288-S292 PolarHBondContact O-N 3.24Å; V289-S292 PolarHBondContact O-N 3.02Å; S292-K294 VanDerWaalsContact C-N 3.29Å; S292-K294 PolarHBondContact O-N 2.82Å |
| 293 | M | 88.5 | Confident | 93.5 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.6 | 177.2 | -62.4 | -65.2 | -65.4 | 0 | 0 | 113.4 | L177 T267 Y283 V289 K291 I295 | L177-M293 HydrophobicContact CB-CE 4.17Å; T267-M293 HydrophobicContact CG2-CE 3.41Å; T267-M293 VanDerWaalsContact CG2-CE 3.41Å; Y283-M293 HydrophobicContact CD2-CE 4.01Å; Y283-M293 HydrophobicContact CD2-CG 4.06Å; Y283-M293 HydrophobicContact CE2-CE 3.79Å; Y283-M293 HydrophobicContact CE2-CG 4.36Å; Y283-M293 HydrophobicContact CE2-SD 4.28Å; V289-M293 HydrophobicContact CG1-CG 4.04Å; V289-M293 WeakPolarHBondContact O-CB 3.49Å; V289-M293 VanDerWaalsContact O-CG 3.24Å; V289-M293 WeakPolarHBondContact O-CG 3.37Å; V289-M293 PolarHBondContact O-N 3.4Å; K291-M293 VanDerWaalsContact C-N 3.29Å; K291-M293 PolarHBondContact O-N 3.17Å; M293-I295 HydrophobicContact CB-CD1 3.72Å; M293-I295 HydrophobicContact CB-CG1 3.8Å; M293-I295 PolarHBondContact O-N 2.98Å |
| 294 | K | 88.4 | Confident | 93.6 | Very high | 161 Ų | 161 | 38 Ų | 38 | 70% | 0.7 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.2 | 180 | -56.5 | 178.6 | -178.6 | 177.2 | 0 | 113.7 | R290 K291 S292 S296 | R290-K294 PolarHBondContact O-N 3.36Å; R290-K294 VanDerWaalsContact O-N 3.16Å; K291-K294 PolarHBondContact O-N 2.97Å; S292-K294 VanDerWaalsContact C-N 3.29Å; S292-K294 PolarHBondContact O-N 2.82Å; K294-S296 PolarHBondContact O-N 2.99Å |
| 295 | I | 94.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | trans | -84.1 | 118.6 | -176.1 | -63.4 | 167.9 | 0 | 0 | 0 | 109.8 | F148 L177 L284 R290 M293 L297 | F148-I295 HydrophobicContact CE1-CG2 3.7Å; F148-I295 HydrophobicContact CZ-CG2 3.78Å; L177-I295 HydrophobicContact CD1-CD1 3.67Å; L177-I295 HydrophobicContact CD1-CG1 4.08Å; L284-I295 HydrophobicContact CD2-CD1 4.09Å; L284-I295 HydrophobicContact CD2-CG2 3.89Å; R290-I295 HydrophobicContact CG-CB 3.82Å; R290-I295 HydrophobicContact CG-CG2 4.22Å; R290-I295 PolarHBondContact O-N 3.45Å; M293-I295 HydrophobicContact CB-CD1 3.72Å; M293-I295 HydrophobicContact CB-CG1 3.8Å; M293-I295 PolarHBondContact O-N 2.98Å; I295-L297 HydrophobicContact CG2-CD2 4.11Å; I295-L297 HydrophobicContact CG2-CG 4.48Å | ||
| 296 | S | 93.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 53% | 0.531 | 20% | 0.201 | S | C | . | . | trans | -98.7 | 130.6 | 167.4 | -177.6 | 0 | 0 | 0 | 0 | 111 | K294 | K294-S296 PolarHBondContact O-N 2.99Š| ||
| 297 | L | 95.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -97.3 | 0.3 | 177.5 | -66.4 | -179.3 | 0 | 0 | 0 | 113.5 | F148 L284 I295 N299 S300 V302 V520 S523 A524 | F148-L297 HydrophobicContact CD2-CD2 3.85Å; F148-L297 HydrophobicContact CE2-CD2 3.79Å; F148-L297 HydrophobicContact CG-CD2 4.3Å; F148-L297 HydrophobicContact CZ-CD2 4.2Å; L284-L297 HydrophobicContact CD1-CD2 4.34Å; L284-L297 HydrophobicContact CD2-CD2 4.14Å; I295-L297 HydrophobicContact CG2-CD2 4.11Å; I295-L297 HydrophobicContact CG2-CG 4.48Å; L297-N299 PolarHBondContact O-N 3.12Å; L297-S300 VanDerWaalsContact C-OG 3.32Å; L297-S300 WeakPolarHBondContact CA-OG 3.42Å; L297-S300 VanDerWaalsContact O-CB 3.29Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.15Å; L297-S300 PolarHBondContact O-OG 3.13Å; L297-V302 HydrophobicContact CD2-CG2 4.02Å; L297-V520 HydrophobicContact CD1-CB 4.19Å; L297-V520 HydrophobicContact CD1-CG1 3.82Å; L297-V520 HydrophobicContact CD1-CG2 4.08Å; L297-S523 CarbonylContact C-O 3.6Å; L297-S523 CarbonylContact O-C 3.55Å; L297-A524 WeakPolarHBondContact O-CA 3.44Å | ||
| 298 | K | 93.8 | Very high | 93.1 | Very high | 178 Ų | 178 | 38.2 Ų | 38.2 | 77% | 0.774 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 122.2 | -175.8 | -174.4 | 176.9 | -178.3 | 175.8 | 0 | 111.1 | S300 S523 | K298-S300 PolarHBondContact O-N 2.74Å; K298-S300 VanDerWaalsContact O-N 3.08Å; K298-S523 WeakPolarHBondContact CA-O 3.48Å |
| 299 | N | 93.1 | Very high | 93 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 23.1 | -179.1 | -170.8 | 43.6 | 0 | 0 | 0 | 114.1 | Y142 P145 L297 S523 R525 | Y142-N299 HydrophobicContact CD1-CB 4.44Å; Y142-N299 WeakPolarHBondContact CD1-ND2 3.31Å; P145-N299 VanDerWaalsContact CB-O 3.27Å; P145-N299 WeakPolarHBondContact CB-O 3.27Å; L297-N299 PolarHBondContact O-N 3.12Å; N299-S523 PolarHBondContact N-O 3.16Å; N299-R525 PolarHBondContact OD1-NH1 2.96Å |
| 300 | S | 96.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -89.6 | 155.5 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | K146 L297 K298 R525 | K146-S300 WeakPolarHBondContact O-CA 3.41Å; K146-S300 WeakPolarHBondContact O-CB 3.26Å; L297-S300 VanDerWaalsContact C-OG 3.32Å; L297-S300 WeakPolarHBondContact CA-OG 3.42Å; L297-S300 VanDerWaalsContact O-CB 3.29Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.15Å; L297-S300 PolarHBondContact O-OG 3.13Å; K298-S300 PolarHBondContact O-N 2.74Å; K298-S300 VanDerWaalsContact O-N 3.08Å; S300-R525 VanDerWaalsContact O-CB 3.25Å; S300-R525 WeakPolarHBondContact O-CB 3.32Å; S300-R525 PolarHBondContact O-N 3.07Å | ||
| 301 | V | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.3 | 169.3 | 171.7 | 0 | 0 | 0 | 0 | 108.3 | L30 W57 P145 K146 I147 F148 I303 | L30-V301 HydrophobicContact CD1-CG1 4.3Å; L30-V301 HydrophobicContact CD2-CB 4.28Å; L30-V301 HydrophobicContact CD2-CG1 3.41Å; L30-V301 VanDerWaalsContact CD2-CG1 3.41Å; L30-V301 HydrophobicContact CD2-CG2 3.86Å; W57-V301 HydrophobicContact CE3-CG2 4.22Å; W57-V301 HydrophobicContact CH2-CG2 3.9Å; W57-V301 HydrophobicContact CZ3-CG2 3.52Å; P145-V301 HydrophobicContact CB-CG2 4.48Å; K146-V301 PolarHBondContact O-N 3.29Å; I147-V301 CarbonylContact C-O 3.59Å; I147-V301 WeakPolarHBondContact CA-O 3.48Å; I147-V301 HydrophobicContact CG1-CB 4.13Å; I147-V301 HydrophobicContact CG1-CG1 4.47Å; F148-V301 PolarHBondContact N-O 3.09Å; V301-I303 HydrophobicContact CG1-CD1 4.32Å; V301-I303 HydrophobicContact CG1-CG1 4.05Å |
| 302 | V | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.2 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 109 | F148 L284 L297 I304 A524 S526 V527 V528 | F148-V302 HydrophobicContact CB-CG2 4.42Å; L284-V302 HydrophobicContact CD1-CG1 3.73Å; L284-V302 HydrophobicContact CD1-CG2 4.32Å; L297-V302 HydrophobicContact CD2-CG2 4.02Å; V302-I304 HydrophobicContact CG1-CD1 4.22Å; V302-I304 HydrophobicContact CG1-CG1 3.94Å; V302-A524 HydrophobicContact CG2-CB 3.8Å; V302-S526 PolarHBondContact N-O 3.36Å; V302-V527 HydrophobicContact CB-CG1 4.38Å; V302-V527 HydrophobicContact CB-CG2 4.3Å; V302-V527 HydrophobicContact CG1-CG1 4.28Å; V302-V527 CarbonylContact O-C 3.51Å; V302-V527 WeakPolarHBondContact O-CA 3.27Å; V302-V528 PolarHBondContact O-N 3.03Å |
| 303 | I | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.2 | 175.9 | -57.7 | -178.1 | 0 | 0 | 0 | 107.7 | L50 A54 I147 F148 F149 C150 V301 V528 | L50-I303 HydrophobicContact CB-CG2 4.28Å; L50-I303 HydrophobicContact CD1-CG2 4.25Å; L50-I303 HydrophobicContact CD2-CG2 4.49Å; A54-I303 HydrophobicContact CB-CD1 3.29Å; I147-I303 HydrophobicContact CG2-CD1 4.34Å; F148-I303 PolarHBondContact O-N 2.89Å; F149-I303 HydrophobicContact CD2-CB 4.02Å; F149-I303 HydrophobicContact CD2-CD1 4.12Å; F149-I303 HydrophobicContact CD2-CG2 4.02Å; F149-I303 HydrophobicContact CE1-CG2 4.31Å; F149-I303 HydrophobicContact CE2-CB 4.2Å; F149-I303 HydrophobicContact CE2-CD1 4.18Å; F149-I303 HydrophobicContact CE2-CG2 3.68Å; F149-I303 HydrophobicContact CG-CB 4.36Å; F149-I303 HydrophobicContact CG-CG2 4.48Å; F149-I303 HydrophobicContact CZ-CG2 3.86Å; C150-I303 PolarHBondContact N-O 2.96Å; V301-I303 HydrophobicContact CG1-CD1 4.32Å; V301-I303 HydrophobicContact CG1-CG1 4.05Å; I303-V528 CarbonylContact C-O 3.59Å; I303-V528 WeakPolarHBondContact CA-O 3.25Å; I303-V528 HydrophobicContact CG1-CB 4.23Å; I303-V528 HydrophobicContact CG1-CG2 4.47Å |
| 304 | I | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110 | 178.2 | -57.2 | -177.3 | 0 | 0 | 0 | 108.1 | C150 Y281 V302 A307 I310 V528 L529 A530 | C150-I304 HydrophobicContact CB-CG1 4.29Å; Y281-I304 HydrophobicContact CD1-CG2 3.48Å; Y281-I304 VanDerWaalsContact CD1-CG2 3.48Å; Y281-I304 HydrophobicContact CE1-CG2 4.12Å; Y281-I304 HydrophobicContact CG-CG2 3.97Å; V302-I304 HydrophobicContact CG1-CD1 4.22Å; V302-I304 HydrophobicContact CG1-CG1 3.94Å; I304-A307 HydrophobicContact CB-CB 4.44Å; I304-A307 HydrophobicContact CG2-CB 3.89Å; I304-I310 HydrophobicContact CD1-CD1 3.6Å; I304-V528 PolarHBondContact N-O 3.13Å; I304-L529 HydrophobicContact CB-CD2 3.7Å; I304-L529 HydrophobicContact CD1-CD2 3.7Å; I304-L529 HydrophobicContact CG1-CD2 3.93Å; I304-L529 HydrophobicContact CG2-CD2 4.48Å; I304-A530 PolarHBondContact O-N 3.32Å |
| 305 | D | 95 | Very high | 94.6 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -83.9 | 152.6 | 168.2 | -158.2 | -2 | 0 | 0 | 0 | 110.3 | K46 S47 F149 C150 A307 A530 | K46-D305 WeakPolarHBondContact CE-OD1 3.46Å; K46-D305 IonicContact NZ-OD1 2.8Å; K46-D305 PolarHBondContact NZ-OD1 3.3Å; S47-D305 WeakPolarHBondContact CB-OD2 3.45Å; S47-D305 PolarHBondContact OG-OD2 3.05Å; F149-D305 HydrophobicContact CE1-CB 4.09Å; C150-D305 PolarHBondContact O-N 3.21Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.97Å; D305-A530 CarbonylContact C-O 3.59Å |
| 306 | E | 91.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 17% | 0.173 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 56.9 | 39.8 | -176.3 | -61 | -61.4 | 129.6 | 0 | 0 | 114.1 | K46 H308 A530 | K46-E306 IonicContact NZ-OE1 3.07Å; K46-E306 PolarHBondContact NZ-OE1 2.96Å; E306-H308 PolarHBondContact O-N 3.01Å; E306-H308 PolarHBondContact O-ND1 3.36Å; E306-H308 IonicContact OE2-CE1 3.97Å; E306-H308 IonicContact OE2-ND1 4Å; E306-A530 PolarHBondContact N-O 2.92Å |
| 307 | A | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -72.3 | 10.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I304 D305 N309 I310 L529 A530 L534 Y540 | I304-A307 HydrophobicContact CB-CB 4.44Å; I304-A307 HydrophobicContact CG2-CB 3.89Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.97Å; A307-N309 PolarHBondContact O-N 2.8Å; A307-N309 VanDerWaalsContact O-N 3.16Å; A307-I310 WeakPolarHBondContact O-CB 3.27Å; A307-I310 PolarHBondContact O-N 3.27Å; A307-L529 HydrophobicContact CB-CB 3.96Å; A307-L529 HydrophobicContact CB-CD2 4.44Å; A307-A530 PolarHBondContact N-O 3.15Å; A307-L534 HydrophobicContact CB-CD2 4.46Å; A307-Y540 WeakPolarHBondContact CB-OH 3.45Å; A307-Y540 PolarHBondContact O-OH 3.37Å |
| 308 | H | 88.7 | Confident | 94.8 | Very high | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -62.1 | -25.7 | -175.1 | 56.2 | -83 | 0 | 0 | 0 | 114.3 | E306 S531 T533 Q753 | E306-H308 PolarHBondContact O-N 3.01Å; E306-H308 PolarHBondContact O-ND1 3.36Å; E306-H308 IonicContact OE2-CE1 3.97Å; E306-H308 IonicContact OE2-ND1 4Å; H308-S531 WeakPolarHBondContact CB-OG 3.17Å; H308-S531 PolarHBondContact ND1-OG 3.03Å; H308-T533 VanDerWaalsContact CB-OG1 3.31Å; H308-T533 WeakPolarHBondContact CB-OG1 3.49Å; H308-Q753 PolarHBondContact NE2-NE2 2.97Å |
| 309 | N | 89.4 | Confident | 95 | Very high | 25 Ų | 25 | 16.3 Ų | 16.3 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -104.7 | 11.1 | -179.4 | -66.6 | -19.6 | 0 | 0 | 0 | 113.7 | R152 A307 E311 D312 V313 | R152-N309 PolarHBondContact NH1-ND2 3.11Å; R152-N309 PolarHBondContact NH2-ND2 2.89Å; A307-N309 PolarHBondContact O-N 2.8Å; A307-N309 VanDerWaalsContact O-N 3.16Å; N309-E311 PolarHBondContact O-N 2.84Å; N309-D312 PolarHBondContact O-N 3.2Å; N309-D312 VanDerWaalsContact O-N 3.16Å; N309-V313 WeakPolarHBondContact O-CG2 3.31Å; N309-V313 PolarHBondContact O-N 3.47Å |
| 310 | I | 94.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | -174.7 | -154.2 | 173.8 | 0 | 0 | 0 | 112.3 | L285 I304 A307 D312 V313 C314 F517 L529 Y540 L544 | L285-I310 HydrophobicContact CD1-CD1 4.14Å; L285-I310 HydrophobicContact CD1-CG1 3.63Å; L285-I310 HydrophobicContact CD2-CD1 4.49Å; I304-I310 HydrophobicContact CD1-CD1 3.6Å; A307-I310 WeakPolarHBondContact O-CB 3.27Å; A307-I310 PolarHBondContact O-N 3.27Å; I310-D312 VanDerWaalsContact C-N 3.34Å; I310-D312 PolarHBondContact O-N 2.83Å; I310-V313 PolarHBondContact O-N 2.76Å; I310-C314 VanDerWaalsContact O-CB 3.32Å; I310-C314 WeakPolarHBondContact O-CB 3.45Å; I310-C314 PolarHBondContact O-N 3.27Å; I310-C314 PolarHBondContact O-SG 3.42Å; I310-F517 HydrophobicContact CD1-CD2 4.04Å; I310-F517 HydrophobicContact CD1-CE2 3.62Å; I310-L529 HydrophobicContact CD1-CD1 4.25Å; I310-L529 HydrophobicContact CD1-CD2 3.78Å; I310-Y540 HydrophobicContact CG2-CE1 4.4Å; I310-Y540 HydrophobicContact CG2-CE2 3.81Å; I310-Y540 VanDerWaalsContact CG2-CZ 3.47Å; I310-Y540 WeakPolarHBondContact CG2-OH 3.12Å; I310-L544 HydrophobicContact CG2-CD1 3.93Å; I310-L544 HydrophobicContact CG2-CD2 3.88Å; I310-L544 HydrophobicContact CG2-CG 4.46Å |
| 311 | E | 93.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 177.6 | -67.3 | 169.1 | -168.5 | 0 | 0 | 111.4 | N309 R315 P513 Y540 E543 L544 Q746 R749 | N309-E311 PolarHBondContact O-N 2.84Å; E311-R315 PolarHBondContact O-N 2.89Å; E311-R315 VanDerWaalsContact O-N 3.17Å; E311-P513 HydrophobicContact CB-CG 4.29Å; E311-P513 WeakPolarHBondContact O-CB 3.4Å; E311-Y540 HydrophobicContact CG-CD2 4.27Å; E311-Y540 HydrophobicContact CG-CE2 4.31Å; E311-Y540 WeakPolarHBondContact OE1-CD2 3.37Å; E311-E543 HydrophobicContact CG-CB 4.18Å; E311-L544 HydrophobicContact CG-CD2 4.18Å; E311-Q746 PolarHBondContact OE2-NE2 2.76Å; E311-R749 IonicContact OE1-CZ 3.3Å; E311-R749 VanDerWaalsContact OE1-CZ 3.3Å; E311-R749 IonicContact OE1-NH1 3.2Å; E311-R749 PolarHBondContact OE1-NH1 2.64Å; E311-R749 IonicContact OE1-NH2 3.91Å; E311-R749 PolarHBondContact OE1-NH2 3.36Å; E311-R749 IonicContact OE2-CZ 2.97Å; E311-R749 IonicContact OE2-NH1 2.76Å; E311-R749 PolarHBondContact OE2-NH1 2.9Å; E311-R749 IonicContact OE2-NH2 3.08Å |
| 312 | D | 94 | Very high | 95.1 | Very high | 63 Ų | 63 | 17.7 Ų | 17.7 | 34% | 0.337 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -68.7 | -43.8 | 177.3 | -69 | -43.4 | 0 | 0 | 0 | 110.7 | N309 I310 C314 R315 E316 | N309-D312 PolarHBondContact O-N 3.2Å; N309-D312 VanDerWaalsContact O-N 3.16Å; I310-D312 VanDerWaalsContact C-N 3.34Å; I310-D312 PolarHBondContact O-N 2.83Å; D312-C314 PolarHBondContact O-N 2.9Å; D312-R315 PolarHBondContact O-N 3.3Å; D312-R315 IonicContact OD1-CZ 3.63Å; D312-R315 IonicContact OD1-NE 3.48Å; D312-R315 IonicContact OD1-NH2 3.23Å; D312-R315 PolarHBondContact OD1-NH2 2.68Å; D312-E316 WeakPolarHBondContact O-CB 3.47Å; D312-E316 PolarHBondContact O-N 2.89Å |
| 313 | V | 95.5 | Very high | 95 | Very high | 29 Ų | 29 | 18.5 Ų | 18.5 | 18% | 0.176 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | -179.8 | 178.2 | 0 | 0 | 0 | 0 | 111 | Y281 N282 L285 N309 I310 E316 S317 | Y281-V313 HydrophobicContact CD2-CG1 4.16Å; Y281-V313 HydrophobicContact CE2-CB 3.99Å; Y281-V313 HydrophobicContact CE2-CG1 3.88Å; Y281-V313 HydrophobicContact CE2-CG2 3.62Å; N282-V313 HydrophobicContact CB-CG1 4.21Å; L285-V313 HydrophobicContact CD1-CB 4.43Å; L285-V313 HydrophobicContact CD1-CG1 3.92Å; N309-V313 WeakPolarHBondContact O-CG2 3.31Å; N309-V313 PolarHBondContact O-N 3.47Å; I310-V313 PolarHBondContact O-N 2.76Å; V313-E316 PolarHBondContact O-N 3.16Å; V313-S317 WeakPolarHBondContact O-CB 3.23Å; V313-S317 PolarHBondContact O-N 2.8Å; V313-S317 PolarHBondContact O-OG 2.91Å |
| 314 | C | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.6 | -76.4 | 0 | 0 | 0 | 0 | 112 | I310 D312 S317 V318 P513 A516 | I310-C314 VanDerWaalsContact O-CB 3.32Å; I310-C314 WeakPolarHBondContact O-CB 3.45Å; I310-C314 PolarHBondContact O-N 3.27Å; I310-C314 PolarHBondContact O-SG 3.42Å; D312-C314 PolarHBondContact O-N 2.9Å; C314-S317 PolarHBondContact O-N 3.27Å; C314-V318 WeakPolarHBondContact O-CG2 3.44Å; C314-V318 PolarHBondContact O-N 3.34Å; C314-P513 HydrophobicContact CB-CB 3.44Å; C314-P513 VanDerWaalsContact CB-CB 3.44Å; C314-P513 WeakPolarHBondContact CB-O 3.47Å; C314-A516 HydrophobicContact CB-CB 3.97Å; C314-A516 WeakPolarHBondContact O-CB 3.49Å |
| 315 | R | 95.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.2 | -80.1 | -171.3 | -70.4 | -88.8 | 0.7 | 111.6 | E311 D312 S319 C510 P513 E543 | E311-R315 PolarHBondContact O-N 2.89Å; E311-R315 VanDerWaalsContact O-N 3.17Å; D312-R315 PolarHBondContact O-N 3.3Å; D312-R315 IonicContact OD1-CZ 3.63Å; D312-R315 IonicContact OD1-NE 3.48Å; D312-R315 IonicContact OD1-NH2 3.23Å; D312-R315 PolarHBondContact OD1-NH2 2.68Å; R315-S319 WeakPolarHBondContact O-CB 3.35Å; R315-S319 PolarHBondContact O-N 3.48Å; R315-S319 VanDerWaalsContact O-N 3.1Å; R315-S319 PolarHBondContact O-OG 3Å; R315-C510 WeakPolarHBondContact CB-O 3.4Å; R315-C510 VanDerWaalsContact CD-O 3.31Å; R315-C510 WeakPolarHBondContact CD-O 3.39Å; R315-C510 VanDerWaalsContact CG-O 3.27Å; R315-C510 WeakPolarHBondContact CG-O 3.36Å; R315-P513 HydrophobicContact CG-CB 4.11Å; R315-P513 HydrophobicContact CG-CG 4.4Å; R315-E543 IonicContact NH1-OE2 3.76Å |
| 316 | E | 96.1 | Very high | 94.6 | Very high | 109 Ų | 109 | 26.9 Ų | 26.9 | 51% | 0.509 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | -179.7 | -167.3 | 63.7 | -154.6 | 0 | 0 | 111.7 | D312 V313 V318 S319 R713 | D312-E316 WeakPolarHBondContact O-CB 3.47Å; D312-E316 PolarHBondContact O-N 2.89Å; V313-E316 PolarHBondContact O-N 3.16Å; E316-V318 PolarHBondContact O-N 2.85Å; E316-S319 PolarHBondContact O-N 3.25Å; E316-R713 IonicContact OE2-NH1 2.79Å; E316-R713 PolarHBondContact OE2-NH1 2.89Å |
| 317 | S | 95.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -26.7 | -179.3 | -66.9 | 0 | 0 | 0 | 0 | 114 | P287 V313 C314 | P287-S317 WeakPolarHBondContact CD-O 3.49Å; V313-S317 WeakPolarHBondContact O-CB 3.23Å; V313-S317 PolarHBondContact O-N 2.8Å; V313-S317 PolarHBondContact O-OG 2.91Å; C314-S317 PolarHBondContact O-N 3.27Å |
| 318 | V | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 19.4 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | P287 C314 E316 F320 Y450 Y469 C510 L515 A516 | P287-V318 HydrophobicContact CG-CG1 4.33Å; C314-V318 WeakPolarHBondContact O-CG2 3.44Å; C314-V318 PolarHBondContact O-N 3.34Å; E316-V318 PolarHBondContact O-N 2.85Å; V318-F320 VanDerWaalsContact C-CE2 3.46Å; V318-F320 HydrophobicContact CB-CE2 4.3Å; V318-F320 WeakPolarHBondContact O-CD2 3.45Å; V318-F320 VanDerWaalsContact O-CE2 3.28Å; V318-F320 WeakPolarHBondContact O-CE2 3.17Å; V318-Y450 HydrophobicContact CB-CD1 4.45Å; V318-Y450 HydrophobicContact CB-CD2 4.14Å; V318-Y450 HydrophobicContact CB-CE2 4.32Å; V318-Y450 HydrophobicContact CB-CG 4.23Å; V318-Y450 HydrophobicContact CG1-CD1 4.09Å; V318-Y450 HydrophobicContact CG1-CD2 3.92Å; V318-Y450 HydrophobicContact CG1-CE1 3.8Å; V318-Y450 HydrophobicContact CG1-CE2 3.6Å; V318-Y450 HydrophobicContact CG1-CG 4.17Å; V318-Y469 WeakPolarHBondContact O-CE1 3.24Å; V318-Y469 PolarHBondContact O-OH 3.45Å; V318-Y469 VanDerWaalsContact O-OH 3.04Å; V318-C510 HydrophobicContact CG2-CB 3.75Å; V318-L515 HydrophobicContact CG2-CB 4.46Å; V318-A516 HydrophobicContact CG1-CB 3.75Å; V318-A516 HydrophobicContact CG2-CB 4.2Å |
| 319 | S | 97.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | trans | -97.4 | 137 | 164.5 | -64.9 | 0 | 0 | 0 | 0 | 108.8 | R315 E316 F508 C510 | R315-S319 WeakPolarHBondContact O-CB 3.35Å; R315-S319 PolarHBondContact O-N 3.48Å; R315-S319 VanDerWaalsContact O-N 3.1Å; R315-S319 PolarHBondContact O-OG 3Å; E316-S319 PolarHBondContact O-N 3.25Å; S319-F508 CarbonylContact C-O 3.6Å; S319-F508 WeakPolarHBondContact CA-O 3.33Å; S319-F508 WeakPolarHBondContact CB-O 3.03Å; S319-C510 PolarHBondContact OG-N 2.95Å | ||
| 320 | F | 97.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.7 | -174.8 | -58.2 | -84.5 | 0 | 0 | 0 | 110.4 | L288 V318 K443 A447 Y450 H507 F508 | L288-F320 HydrophobicContact CD1-CD1 4.48Å; L288-F320 HydrophobicContact CD1-CE1 3.93Å; L288-F320 HydrophobicContact CG-CE1 4.42Å; V318-F320 VanDerWaalsContact C-CE2 3.46Å; V318-F320 HydrophobicContact CB-CE2 4.3Å; V318-F320 WeakPolarHBondContact O-CD2 3.45Å; V318-F320 VanDerWaalsContact O-CE2 3.28Å; V318-F320 WeakPolarHBondContact O-CE2 3.17Å; F320-K443 HydrophobicContact CD1-CB 4.44Å; F320-A447 HydrophobicContact CB-CB 3.79Å; F320-A447 HydrophobicContact CD2-CB 3.54Å; F320-A447 HydrophobicContact CE2-CB 4.34Å; F320-A447 HydrophobicContact CG-CB 3.78Å; F320-Y450 HydrophobicContact CE2-CD2 4.14Å; F320-Y450 HydrophobicContact CZ-CD2 4.33Å; F320-H507 CarbonylContact O-C 3.51Å; F320-H507 WeakPolarHBondContact O-CA 3.29Å; F320-F508 HydrophobicContact CB-CB 4.36Å; F320-F508 HydrophobicContact CB-CD2 4.32Å; F320-F508 PolarHBondContact N-O 3.15Å; F320-F508 PolarHBondContact O-N 2.97Å |
| 321 | S | 96.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 30 Ų | 30 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 133.6 | 179.1 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | L506 H507 | S321-L506 WeakPolarHBondContact CA-O 3.35Å; S321-H507 WeakPolarHBondContact CB-ND1 3.35Å; S321-H507 PolarHBondContact OG-ND1 3.35Å |
| 322 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.2 | 179 | -68.1 | 165.2 | 0 | 0 | 0 | 108.1 | L327 T440 K443 L444 Y505 L506 F508 | L322-L327 HydrophobicContact CD1-CD2 4.47Å; L322-T440 HydrophobicContact CD2-CG2 3.87Å; L322-K443 HydrophobicContact CD2-CB 3.97Å; L322-K443 HydrophobicContact CD2-CD 3.89Å; L322-L444 HydrophobicContact CD1-CB 3.97Å; L322-L444 HydrophobicContact CD1-CD1 3.89Å; L322-L444 HydrophobicContact CD1-CG 4.45Å; L322-Y505 CarbonylContact O-C 3.54Å; L322-Y505 WeakPolarHBondContact O-CA 3.31Å; L322-L506 PolarHBondContact N-O 2.69Å; L322-L506 PolarHBondContact O-N 2.97Å; L322-F508 HydrophobicContact CD1-CE2 4.38Å |
| 323 | S | 95.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 152.2 | 169.3 | 73.9 | 0 | 0 | 0 | 0 | 110.7 | D325 E326 L327 D504 | S323-D325 PolarHBondContact O-N 3.07Å; S323-E326 PolarHBondContact O-N 2.97Å; S323-E326 VanDerWaalsContact OG-CB 3.25Å; S323-E326 WeakPolarHBondContact OG-CB 3.44Å; S323-E326 PolarHBondContact OG-N 3.38Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 3.01Å; S323-D504 WeakPolarHBondContact CA-O 3.28Å |
| 324 | K | 95.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 21% | 0.213 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.1 | -36.9 | 171.3 | -179.2 | -169.4 | 165.3 | -163.2 | 0 | 112 | L327 S328 I360 I363 D504 | K324-L327 PolarHBondContact O-N 2.8Å; K324-S328 WeakPolarHBondContact O-CB 3.28Å; K324-S328 PolarHBondContact O-N 3.38Å; K324-S328 PolarHBondContact O-OG 2.82Å; K324-I360 HydrophobicContact CG-CG2 4.47Å; K324-I363 HydrophobicContact CB-CG2 4.22Å; K324-I363 HydrophobicContact CD-CG2 4.26Å; K324-I363 HydrophobicContact CG-CG2 4.4Å; K324-D504 HydrophobicContact CB-CB 4.14Å; K324-D504 HydrophobicContact CD-CB 4.45Å; K324-D504 PolarHBondContact N-O 3.33Å |
| 325 | D | 93.7 | Very high | 95.3 | Very high | 82 Ų | 82 | 39 Ų | 39 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -38.4 | -180 | -59 | -26.4 | 0 | 0 | 0 | 111.8 | S323 S328 T329 | S323-D325 PolarHBondContact O-N 3.07Å; D325-S328 PolarHBondContact O-N 3.32Å; D325-T329 WeakPolarHBondContact O-CB 3.2Å; D325-T329 PolarHBondContact O-N 2.99Å; D325-T329 PolarHBondContact O-OG1 3.42Å |
| 326 | E | 94.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.4 | -177.6 | 179.6 | -180 | 0 | 0 | 110.2 | S323 T329 A330 T440 K443 | S323-E326 PolarHBondContact O-N 2.97Å; S323-E326 VanDerWaalsContact OG-CB 3.25Å; S323-E326 WeakPolarHBondContact OG-CB 3.44Å; S323-E326 PolarHBondContact OG-N 3.38Å; E326-T329 PolarHBondContact O-N 2.83Å; E326-A330 WeakPolarHBondContact O-CB 3.3Å; E326-A330 PolarHBondContact O-N 2.9Å; E326-T440 HydrophobicContact CG-CG2 3.84Å; E326-T440 WeakPolarHBondContact CG-OG1 3.47Å; E326-T440 PolarHBondContact OE1-OG1 3.42Å; E326-K443 IonicContact OE1-NZ 2.64Å; E326-K443 PolarHBondContact OE1-NZ 3.13Å; E326-K443 IonicContact OE2-NZ 2.68Å; E326-K443 PolarHBondContact OE2-NZ 2.91Å |
| 327 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 176 | -65.5 | 167.5 | 0 | 0 | 0 | 112.1 | L322 S323 K324 T329 A330 V331 F356 L359 I360 I363 T440 | L322-L327 HydrophobicContact CD1-CD2 4.47Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 3.01Å; K324-L327 PolarHBondContact O-N 2.8Å; L327-T329 VanDerWaalsContact C-N 3.33Å; L327-T329 PolarHBondContact O-N 3.37Å; L327-A330 PolarHBondContact O-N 3.42Å; L327-V331 WeakPolarHBondContact O-CG2 3.13Å; L327-V331 PolarHBondContact O-N 3.12Å; L327-F356 HydrophobicContact CD2-CD1 3.61Å; L327-F356 HydrophobicContact CD2-CE1 3.85Å; L327-F356 HydrophobicContact CD2-CG 4.01Å; L327-F356 HydrophobicContact CD2-CZ 4.44Å; L327-L359 HydrophobicContact CD1-CD2 3.54Å; L327-L359 HydrophobicContact CD1-CG 3.83Å; L327-L359 HydrophobicContact CD2-CD2 4.08Å; L327-L359 HydrophobicContact CG-CD2 4.48Å; L327-I360 HydrophobicContact CB-CD1 3.85Å; L327-I360 HydrophobicContact CB-CG1 3.74Å; L327-I360 HydrophobicContact CD1-CG1 4.3Å; L327-I363 HydrophobicContact CD1-CD1 3.91Å; L327-T440 HydrophobicContact CD2-CG2 4.06Å |
| 328 | S | 96.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -39.9 | -178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | K324 D325 V331 E332 | K324-S328 WeakPolarHBondContact O-CB 3.28Å; K324-S328 PolarHBondContact O-N 3.38Å; K324-S328 PolarHBondContact O-OG 2.82Å; D325-S328 PolarHBondContact O-N 3.32Å; S328-V331 PolarHBondContact O-N 3.26Å; S328-E332 PolarHBondContact O-N 3.27Å; S328-E332 VanDerWaalsContact O-N 3.12Å |
| 329 | T | 94.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | D325 E326 L327 V331 E332 Q333 | D325-T329 WeakPolarHBondContact O-CB 3.2Å; D325-T329 PolarHBondContact O-N 2.99Å; D325-T329 PolarHBondContact O-OG1 3.42Å; E326-T329 PolarHBondContact O-N 2.83Å; L327-T329 VanDerWaalsContact C-N 3.33Å; L327-T329 PolarHBondContact O-N 3.37Å; T329-V331 PolarHBondContact O-N 3.04Å; T329-E332 PolarHBondContact O-N 3.41Å; T329-Q333 WeakPolarHBondContact O-CG 3.15Å; T329-Q333 PolarHBondContact O-N 2.99Å; T329-Q333 VanDerWaalsContact O-N 3.16Å |
| 330 | A | 95.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E326 L327 Q333 L334 F356 I437 T440 | E326-A330 WeakPolarHBondContact O-CB 3.3Å; E326-A330 PolarHBondContact O-N 2.9Å; L327-A330 PolarHBondContact O-N 3.42Å; A330-Q333 PolarHBondContact O-N 3.04Å; A330-L334 WeakPolarHBondContact O-CB 3.39Å; A330-L334 WeakPolarHBondContact O-CD1 3.37Å; A330-L334 WeakPolarHBondContact O-CG 3.41Å; A330-L334 PolarHBondContact O-N 2.66Å; A330-F356 HydrophobicContact CB-CD2 4.03Å; A330-F356 HydrophobicContact CB-CE2 3.73Å; A330-I437 HydrophobicContact CB-CG2 4.26Å; A330-T440 HydrophobicContact CB-CG2 4.3Å |
| 331 | V | 96.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | L327 S328 T329 Q333 L334 R335 I353 F356 I360 | L327-V331 WeakPolarHBondContact O-CG2 3.13Å; L327-V331 PolarHBondContact O-N 3.12Å; S328-V331 PolarHBondContact O-N 3.26Å; T329-V331 PolarHBondContact O-N 3.04Å; V331-Q333 VanDerWaalsContact C-N 3.29Å; V331-Q333 PolarHBondContact O-N 2.78Å; V331-L334 PolarHBondContact O-N 3.48Å; V331-R335 HydrophobicContact CG1-CG 4.49Å; V331-R335 WeakPolarHBondContact O-CG 3.49Å; V331-R335 PolarHBondContact O-N 3.26Å; V331-I353 HydrophobicContact CG1-CG2 4.25Å; V331-F356 HydrophobicContact CG2-CB 3.42Å; V331-F356 VanDerWaalsContact CG2-CB 3.42Å; V331-F356 HydrophobicContact CG2-CD2 4.1Å; V331-F356 HydrophobicContact CG2-CG 4.29Å; V331-I360 HydrophobicContact CG2-CD1 4.01Å |
| 332 | E | 93.7 | Very high | 90.2 | Very high | 113 Ų | 113 | 52.9 Ų | 52.9 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | -179.5 | -176.4 | 61.8 | -165.7 | 0 | 0 | 111.3 | S328 T329 R335 L336 | S328-E332 PolarHBondContact O-N 3.27Å; S328-E332 VanDerWaalsContact O-N 3.12Å; T329-E332 PolarHBondContact O-N 3.41Å; E332-R335 PolarHBondContact O-N 2.64Å; E332-L336 WeakPolarHBondContact O-CG 3.48Å; E332-L336 PolarHBondContact O-N 3.18Å |
| 333 | Q | 90.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | -179.5 | -66.5 | -178.5 | -33.7 | 0 | 0 | 113.2 | T329 A330 V331 R335 L336 L337 E434 I437 | T329-Q333 WeakPolarHBondContact O-CG 3.15Å; T329-Q333 PolarHBondContact O-N 2.99Å; T329-Q333 VanDerWaalsContact O-N 3.16Å; A330-Q333 PolarHBondContact O-N 3.04Å; V331-Q333 VanDerWaalsContact C-N 3.29Å; V331-Q333 PolarHBondContact O-N 2.78Å; Q333-R335 VanDerWaalsContact C-N 3.3Å; Q333-R335 PolarHBondContact O-N 3.35Å; Q333-L336 PolarHBondContact O-N 2.9Å; Q333-L337 PolarHBondContact O-N 3.09Å; Q333-E434 PolarHBondContact NE2-OE2 3.36Å; Q333-E434 PolarHBondContact OE1-OE2 3.17Å; Q333-I437 HydrophobicContact CB-CD1 3.39Å; Q333-I437 HydrophobicContact CB-CG1 4.16Å; Q333-I437 HydrophobicContact CG-CD1 4.26Å |
| 334 | L | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 175.3 | -74.9 | 167.3 | 0 | 0 | 0 | 111.8 | A330 V331 L337 G338 A349 C352 I353 F356 F413 I437 | A330-L334 WeakPolarHBondContact O-CB 3.39Å; A330-L334 WeakPolarHBondContact O-CD1 3.37Å; A330-L334 WeakPolarHBondContact O-CG 3.41Å; A330-L334 PolarHBondContact O-N 2.66Å; V331-L334 PolarHBondContact O-N 3.48Å; L334-L337 HydrophobicContact CD2-CD2 4.39Å; L334-L337 WeakPolarHBondContact O-CB 3.5Å; L334-L337 PolarHBondContact O-N 2.66Å; L334-G338 PolarHBondContact O-N 2.98Å; L334-A349 HydrophobicContact CB-CB 4.42Å; L334-A349 HydrophobicContact CD2-CB 4.15Å; L334-C352 HydrophobicContact CD1-CB 3.68Å; L334-I353 HydrophobicContact CB-CD1 3.81Å; L334-I353 HydrophobicContact CB-CG1 3.64Å; L334-I353 HydrophobicContact CD1-CG1 4.3Å; L334-F356 HydrophobicContact CD1-CD2 4.16Å; L334-F356 HydrophobicContact CD1-CE2 3.98Å; L334-F413 HydrophobicContact CD2-CE1 4.38Å; L334-F413 HydrophobicContact CD2-CE2 4.42Å; L334-F413 HydrophobicContact CD2-CZ 3.85Å; L334-I437 HydrophobicContact CD1-CG2 4.05Å; L334-I437 HydrophobicContact CD2-CG2 3.92Å; L334-I437 HydrophobicContact CG-CG2 3.85Å |
| 335 | R | 93.1 | Very high | 89 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 174.5 | -73.2 | 174.6 | -177.7 | -165.2 | 3 | 111.5 | V331 E332 Q333 L337 G338 E339 I353 D357 | V331-R335 HydrophobicContact CG1-CG 4.49Å; V331-R335 WeakPolarHBondContact O-CG 3.49Å; V331-R335 PolarHBondContact O-N 3.26Å; E332-R335 PolarHBondContact O-N 2.64Å; Q333-R335 VanDerWaalsContact C-N 3.3Å; Q333-R335 PolarHBondContact O-N 3.35Å; R335-L337 VanDerWaalsContact C-N 3.31Å; R335-L337 PolarHBondContact O-N 3.01Å; R335-G338 PolarHBondContact O-N 3.25Å; R335-E339 PolarHBondContact O-N 3.29Å; R335-I353 HydrophobicContact CB-CD1 4.49Å; R335-I353 HydrophobicContact CG-CD1 3.69Å; R335-I353 HydrophobicContact CG-CG1 4.36Å; R335-D357 IonicContact CZ-OD2 3.93Å; R335-D357 IonicContact NH2-OD1 3.89Å; R335-D357 IonicContact NH2-OD2 2.8Å; R335-D357 PolarHBondContact NH2-OD2 3.16Å |
| 336 | L | 88.6 | Confident | 88.8 | Confident | 86 Ų | 86 | 58 Ų | 58 | 45% | 0.45 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.9 | -65.1 | 173.5 | 0 | 0 | 0 | 112.2 | E332 Q333 | E332-L336 WeakPolarHBondContact O-CG 3.48Å; E332-L336 PolarHBondContact O-N 3.18Å; Q333-L336 PolarHBondContact O-N 2.9Å |
| 337 | L | 84.4 | Confident | 88.7 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.1 | -172 | 76.7 | 0 | 0 | 0 | 111.6 | Q333 L334 R335 E339 Q340 C341 F413 V433 | Q333-L337 PolarHBondContact O-N 3.09Å; L334-L337 HydrophobicContact CD2-CD2 4.39Å; L334-L337 WeakPolarHBondContact O-CB 3.5Å; L334-L337 PolarHBondContact O-N 2.66Å; R335-L337 VanDerWaalsContact C-N 3.31Å; R335-L337 PolarHBondContact O-N 3.01Å; L337-E339 PolarHBondContact O-N 2.91Å; L337-Q340 PolarHBondContact O-N 3.46Å; L337-Q340 VanDerWaalsContact O-N 3.11Å; L337-C341 WeakPolarHBondContact CD1-SG 3.43Å; L337-C341 WeakPolarHBondContact O-CB 3.45Å; L337-C341 PolarHBondContact O-N 3.11Å; L337-C341 PolarHBondContact O-SG 3.49Å; L337-F413 HydrophobicContact CD2-CE1 4.31Å; L337-V433 HydrophobicContact CD2-CG2 3.73Å |
| 338 | G | 78.1 | Confident | 88.6 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L334 R335 Q340 C346 | L334-G338 PolarHBondContact O-N 2.98Å; R335-G338 PolarHBondContact O-N 3.25Å; G338-Q340 VanDerWaalsContact C-N 3.34Å; G338-C346 PolarHBondContact O-SG 3.01Å |
| 339 | E | 80 | Confident | 88.5 | Confident | 158 Ų | 158 | 58.6 Ų | 58.6 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15.1 | 177 | -67.4 | 178.3 | 177.7 | 0 | 0 | 113.4 | R335 L337 | R335-E339 PolarHBondContact O-N 3.29Å; L337-E339 PolarHBondContact O-N 2.91Å |
| 340 | Q | 75.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -4 | -163.5 | -61.5 | -176.7 | 5.2 | 0 | 0 | 115 | L337 G338 | L337-Q340 PolarHBondContact O-N 3.46Å; L337-Q340 VanDerWaalsContact O-N 3.11Å; G338-Q340 VanDerWaalsContact C-N 3.34Å |
| 341 | C | 77.3 | Confident | 88.5 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -118.3 | -178.4 | -166.2 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | L337 L345 | L337-C341 WeakPolarHBondContact CD1-SG 3.43Å; L337-C341 WeakPolarHBondContact O-CB 3.45Å; L337-C341 PolarHBondContact O-N 3.11Å; L337-C341 PolarHBondContact O-SG 3.49Å; C341-L345 HydrophobicContact CB-CB 3.69Å; C341-L345 HydrophobicContact CB-CD1 3.81Å; C341-L345 HydrophobicContact CB-CG 4.42Å |
| 342 | S | 84.2 | Confident | 88.5 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | trans | -64.6 | 158.3 | 172.8 | 65.6 | 0 | 0 | 0 | 0 | 112 | E344 L345 C346 | S342-E344 VanDerWaalsContact C-N 3.27Å; S342-E344 PolarHBondContact O-N 3.19Å; S342-L345 PolarHBondContact O-N 3.4Å; S342-L345 VanDerWaalsContact O-N 3.09Å; S342-L345 PolarHBondContact OG-N 2.94Å; S342-C346 PolarHBondContact O-N 3.42Å; S342-C346 PolarHBondContact O-SG 3.16Å | ||
| 343 | A | 86.7 | Confident | 88.6 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 62% | 0.62 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52.9 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L345 C346 D347 | A343-L345 PolarHBondContact O-N 3.5Å; A343-C346 WeakPolarHBondContact O-CB 2.96Å; A343-C346 PolarHBondContact O-N 2.94Å; A343-D347 VanDerWaalsContact O-CG 3.31Å; A343-D347 PolarHBondContact O-N 3.17Å |
| 344 | E | 88.2 | Confident | 88.9 | Confident | 139 Ų | 139 | 58.7 Ų | 58.7 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 178.6 | -61.7 | -177.1 | 171.6 | 0 | 0 | 113.2 | S342 D347 A348 V412 | S342-E344 VanDerWaalsContact C-N 3.27Å; S342-E344 PolarHBondContact O-N 3.19Å; E344-D347 PolarHBondContact O-N 3.13Å; E344-A348 WeakPolarHBondContact O-CB 3.46Å; E344-A348 PolarHBondContact O-N 2.9Å; E344-V412 HydrophobicContact CB-CG1 4.43Å |
| 345 | L | 88 | Confident | 89.1 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70 | -37.6 | 176.4 | -76.2 | 170.5 | 0 | 0 | 0 | 111.3 | C341 S342 A343 A348 A349 V412 F413 | C341-L345 HydrophobicContact CB-CB 3.69Å; C341-L345 HydrophobicContact CB-CD1 3.81Å; C341-L345 HydrophobicContact CB-CG 4.42Å; S342-L345 PolarHBondContact O-N 3.4Å; S342-L345 VanDerWaalsContact O-N 3.09Å; S342-L345 PolarHBondContact OG-N 2.94Å; A343-L345 PolarHBondContact O-N 3.5Å; L345-A348 PolarHBondContact O-N 3.15Å; L345-A349 WeakPolarHBondContact O-CB 3.44Å; L345-A349 PolarHBondContact O-N 3.47Å; L345-V412 HydrophobicContact CD2-CG1 3.86Å; L345-V412 HydrophobicContact CG-CG1 4.44Å; L345-F413 HydrophobicContact CD2-CD1 4.05Å |
| 346 | C | 90.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | G338 S342 A343 A348 A349 E350 | G338-C346 PolarHBondContact O-SG 3.01Å; S342-C346 PolarHBondContact O-N 3.42Å; S342-C346 PolarHBondContact O-SG 3.16Å; A343-C346 WeakPolarHBondContact O-CB 2.96Å; A343-C346 PolarHBondContact O-N 2.94Å; C346-A348 VanDerWaalsContact C-N 3.34Å; C346-A348 PolarHBondContact O-N 3.15Å; C346-A349 PolarHBondContact O-N 3.1Å; C346-A349 VanDerWaalsContact O-N 3.15Å; C346-E350 WeakPolarHBondContact O-CG 3.37Å; C346-E350 PolarHBondContact O-N 3.3Å |
| 347 | D | 92.5 | Very high | 89.8 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 178.6 | -71 | -13.1 | 0 | 0 | 0 | 111.6 | A343 E344 E350 V351 | A343-D347 VanDerWaalsContact O-CG 3.31Å; A343-D347 PolarHBondContact O-N 3.17Å; E344-D347 PolarHBondContact O-N 3.13Å; D347-E350 PolarHBondContact O-N 3.44Å; D347-V351 VanDerWaalsContact O-CG2 3.31Å; D347-V351 WeakPolarHBondContact O-CG2 2.96Å; D347-V351 PolarHBondContact O-N 3.3Å |
| 348 | A | 93.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E344 L345 C346 C352 A409 V412 F413 | E344-A348 WeakPolarHBondContact O-CB 3.46Å; E344-A348 PolarHBondContact O-N 2.9Å; L345-A348 PolarHBondContact O-N 3.15Å; C346-A348 VanDerWaalsContact C-N 3.34Å; C346-A348 PolarHBondContact O-N 3.15Å; A348-C352 PolarHBondContact O-N 3.48Å; A348-A409 HydrophobicContact CB-CB 4.01Å; A348-V412 HydrophobicContact CB-CB 3.97Å; A348-V412 HydrophobicContact CB-CG1 3.82Å; A348-F413 HydrophobicContact CB-CD1 4.24Å; A348-F413 HydrophobicContact CB-CE1 3.63Å; A348-F413 HydrophobicContact CB-CZ 3.85Å |
| 349 | A | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L334 L345 C346 V351 C352 I353 | L334-A349 HydrophobicContact CB-CB 4.42Å; L334-A349 HydrophobicContact CD2-CB 4.15Å; L345-A349 WeakPolarHBondContact O-CB 3.44Å; L345-A349 PolarHBondContact O-N 3.47Å; C346-A349 PolarHBondContact O-N 3.1Å; C346-A349 VanDerWaalsContact O-N 3.15Å; A349-V351 VanDerWaalsContact C-N 3.34Å; A349-V351 PolarHBondContact O-N 3.48Å; A349-C352 PolarHBondContact O-N 2.95Å; A349-I353 WeakPolarHBondContact O-CB 3.47Å; A349-I353 WeakPolarHBondContact O-CD1 3.31Å; A349-I353 WeakPolarHBondContact O-CG1 3.34Å; A349-I353 PolarHBondContact O-N 2.88Å |
| 350 | E | 95 | Very high | 92.1 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 178 | -74.7 | -174 | -179.8 | 0 | 0 | 112.4 | C346 D347 C352 I353 S354 | C346-E350 WeakPolarHBondContact O-CG 3.37Å; C346-E350 PolarHBondContact O-N 3.3Å; D347-E350 PolarHBondContact O-N 3.44Å; E350-C352 PolarHBondContact O-N 3.46Å; E350-I353 PolarHBondContact O-N 3.48Å; E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.37Å |
| 351 | V | 95.5 | Very high | 93.1 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | D347 A349 H355 | D347-V351 VanDerWaalsContact O-CG2 3.31Å; D347-V351 WeakPolarHBondContact O-CG2 2.96Å; D347-V351 PolarHBondContact O-N 3.3Å; A349-V351 VanDerWaalsContact C-N 3.34Å; A349-V351 PolarHBondContact O-N 3.48Å; V351-H355 PolarHBondContact O-CD2 2.88Å; V351-H355 PolarHBondContact O-N 3.35Å |
| 352 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 179.1 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | L334 A348 A349 E350 S354 H355 F356 | L334-C352 HydrophobicContact CD1-CB 3.68Å; A348-C352 PolarHBondContact O-N 3.48Å; A349-C352 PolarHBondContact O-N 2.95Å; E350-C352 PolarHBondContact O-N 3.46Å; C352-S354 VanDerWaalsContact C-N 3.34Å; C352-S354 PolarHBondContact O-N 2.57Å; C352-H355 PolarHBondContact O-N 3.49Å; C352-F356 HydrophobicContact CB-CE2 4.46Å; C352-F356 WeakPolarHBondContact O-CB 3.34Å; C352-F356 VanDerWaalsContact O-CG 3.25Å; C352-F356 WeakPolarHBondContact O-CG 3.15Å; C352-F356 PolarHBondContact O-N 3.18Å |
| 353 | I | 96.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 177 | -70.3 | 160.7 | 0 | 0 | 0 | 110.2 | V331 L334 R335 A349 E350 H355 F356 D357 | V331-I353 HydrophobicContact CG1-CG2 4.25Å; L334-I353 HydrophobicContact CB-CD1 3.81Å; L334-I353 HydrophobicContact CB-CG1 3.64Å; L334-I353 HydrophobicContact CD1-CG1 4.3Å; R335-I353 HydrophobicContact CB-CD1 4.49Å; R335-I353 HydrophobicContact CG-CD1 3.69Å; R335-I353 HydrophobicContact CG-CG1 4.36Å; A349-I353 WeakPolarHBondContact O-CB 3.47Å; A349-I353 WeakPolarHBondContact O-CD1 3.31Å; A349-I353 WeakPolarHBondContact O-CG1 3.34Å; A349-I353 PolarHBondContact O-N 2.88Å; E350-I353 PolarHBondContact O-N 3.48Å; I353-H355 PolarHBondContact O-N 3.47Å; I353-F356 PolarHBondContact O-N 3.12Å; I353-D357 WeakPolarHBondContact CG2-OD2 3.49Å; I353-D357 WeakPolarHBondContact O-CB 3.5Å; I353-D357 PolarHBondContact O-N 3.48Å |
| 354 | S | 96.7 | Very high | 94.9 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56 | -47.9 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 112.4 | E350 C352 Q358 | E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.37Å; C352-S354 VanDerWaalsContact C-N 3.34Å; C352-S354 PolarHBondContact O-N 2.57Å; S354-Q358 VanDerWaalsContact O-CG 3.31Å; S354-Q358 WeakPolarHBondContact O-CG 3.03Å; S354-Q358 PolarHBondContact O-N 3.01Å; S354-Q358 PolarHBondContact O-NE2 3.27Å; S354-Q358 PolarHBondContact OG-NE2 3.19Å |
| 355 | H | 97.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 178.4 | -73.9 | -54.9 | 0 | 0 | 0 | 112.3 | V351 C352 I353 L359 L398 S405 | V351-H355 PolarHBondContact O-CD2 2.88Å; V351-H355 PolarHBondContact O-N 3.35Å; C352-H355 PolarHBondContact O-N 3.49Å; I353-H355 PolarHBondContact O-N 3.47Å; H355-L359 VanDerWaalsContact O-CB 3.31Å; H355-L359 WeakPolarHBondContact O-CB 3.17Å; H355-L359 PolarHBondContact O-N 3.2Å; H355-L398 HydrophobicContact CB-CD2 4.13Å; H355-S405 PolarHBondContact NE2-OG 3.26Å; H355-S405 VanDerWaalsContact NE2-OG 3.15Å |
| 356 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -41.8 | -180 | -68.6 | -14.1 | 0 | 0 | 0 | 112.7 | L327 A330 V331 L334 C352 I353 L359 I360 T440 V441 L444 | L327-F356 HydrophobicContact CD2-CD1 3.61Å; L327-F356 HydrophobicContact CD2-CE1 3.85Å; L327-F356 HydrophobicContact CD2-CG 4.01Å; L327-F356 HydrophobicContact CD2-CZ 4.44Å; A330-F356 HydrophobicContact CB-CD2 4.03Å; A330-F356 HydrophobicContact CB-CE2 3.73Å; V331-F356 HydrophobicContact CG2-CB 3.42Å; V331-F356 VanDerWaalsContact CG2-CB 3.42Å; V331-F356 HydrophobicContact CG2-CD2 4.1Å; V331-F356 HydrophobicContact CG2-CG 4.29Å; L334-F356 HydrophobicContact CD1-CD2 4.16Å; L334-F356 HydrophobicContact CD1-CE2 3.98Å; C352-F356 HydrophobicContact CB-CE2 4.46Å; C352-F356 WeakPolarHBondContact O-CB 3.34Å; C352-F356 VanDerWaalsContact O-CG 3.25Å; C352-F356 WeakPolarHBondContact O-CG 3.15Å; C352-F356 PolarHBondContact O-N 3.18Å; I353-F356 PolarHBondContact O-N 3.12Å; F356-L359 PolarHBondContact O-N 2.87Å; F356-I360 WeakPolarHBondContact O-CB 3.49Å; F356-I360 WeakPolarHBondContact O-CD1 3.27Å; F356-I360 WeakPolarHBondContact O-CG1 3.37Å; F356-I360 PolarHBondContact O-N 2.77Å; F356-T440 HydrophobicContact CE2-CG2 4.37Å; F356-T440 HydrophobicContact CZ-CG2 3.95Å; F356-V441 HydrophobicContact CE2-CG2 3.93Å; F356-V441 HydrophobicContact CZ-CB 4.34Å; F356-V441 HydrophobicContact CZ-CG2 3.61Å; F356-L444 HydrophobicContact CD1-CD2 3.91Å; F356-L444 HydrophobicContact CE1-CB 4.47Å; F356-L444 HydrophobicContact CE1-CD2 3.58Å |
| 357 | D | 97.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.5 | -86.6 | -31.6 | 0 | 0 | 0 | 111.2 | R335 I353 L359 I360 E361 | R335-D357 IonicContact CZ-OD2 3.93Å; R335-D357 IonicContact NH2-OD1 3.89Å; R335-D357 IonicContact NH2-OD2 2.8Å; R335-D357 PolarHBondContact NH2-OD2 3.16Å; I353-D357 WeakPolarHBondContact CG2-OD2 3.49Å; I353-D357 WeakPolarHBondContact O-CB 3.5Å; I353-D357 PolarHBondContact O-N 3.48Å; D357-L359 VanDerWaalsContact C-N 3.34Å; D357-L359 PolarHBondContact O-N 3.08Å; D357-I360 PolarHBondContact O-N 2.92Å; D357-E361 WeakPolarHBondContact O-CB 3.22Å; D357-E361 PolarHBondContact O-N 2.9Å |
| 358 | Q | 96.7 | Very high | 95.5 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.5 | -73 | 178.2 | 62.8 | 0 | 0 | 111.9 | S354 E361 W362 | S354-Q358 VanDerWaalsContact O-CG 3.31Å; S354-Q358 WeakPolarHBondContact O-CG 3.03Å; S354-Q358 PolarHBondContact O-N 3.01Å; S354-Q358 PolarHBondContact O-NE2 3.27Å; S354-Q358 PolarHBondContact OG-NE2 3.19Å; Q358-E361 PolarHBondContact O-N 3.31Å; Q358-W362 WeakPolarHBondContact O-CB 3.17Å; Q358-W362 PolarHBondContact O-N 3.49Å |
| 359 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.2 | -179.3 | 57.6 | 0 | 0 | 0 | 112.1 | L327 H355 F356 D357 W362 I363 M396 L398 L444 L506 | L327-L359 HydrophobicContact CD1-CD2 3.54Å; L327-L359 HydrophobicContact CD1-CG 3.83Å; L327-L359 HydrophobicContact CD2-CD2 4.08Å; L327-L359 HydrophobicContact CG-CD2 4.48Å; H355-L359 VanDerWaalsContact O-CB 3.31Å; H355-L359 WeakPolarHBondContact O-CB 3.17Å; H355-L359 PolarHBondContact O-N 3.2Å; F356-L359 PolarHBondContact O-N 2.87Å; D357-L359 VanDerWaalsContact C-N 3.34Å; D357-L359 PolarHBondContact O-N 3.08Å; L359-W362 PolarHBondContact O-N 2.88Å; L359-I363 HydrophobicContact CD1-CD1 4.27Å; L359-I363 HydrophobicContact CD1-CG1 4.37Å; L359-I363 HydrophobicContact CG-CD1 4.11Å; L359-I363 VanDerWaalsContact O-CG1 3.29Å; L359-I363 WeakPolarHBondContact O-CG1 3.32Å; L359-I363 PolarHBondContact O-N 3.45Å; L359-M396 HydrophobicContact CD1-CB 4.37Å; L359-M396 HydrophobicContact CD1-CG 4.17Å; L359-M396 HydrophobicContact CD1-SD 4.1Å; L359-L398 HydrophobicContact CD1-CD1 4.09Å; L359-L398 HydrophobicContact CD2-CD1 4.28Å; L359-L444 HydrophobicContact CD2-CD1 4.48Å; L359-L506 HydrophobicContact CD1-CD2 3.67Å |
| 360 | I | 97.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.7 | -71.5 | 162.3 | 0 | 0 | 0 | 110.7 | K324 L327 V331 F356 D357 I363 K364 | K324-I360 HydrophobicContact CG-CG2 4.47Å; L327-I360 HydrophobicContact CB-CD1 3.85Å; L327-I360 HydrophobicContact CB-CG1 3.74Å; L327-I360 HydrophobicContact CD1-CG1 4.3Å; V331-I360 HydrophobicContact CG2-CD1 4.01Å; F356-I360 WeakPolarHBondContact O-CB 3.49Å; F356-I360 WeakPolarHBondContact O-CD1 3.27Å; F356-I360 WeakPolarHBondContact O-CG1 3.37Å; F356-I360 PolarHBondContact O-N 2.77Å; D357-I360 PolarHBondContact O-N 2.92Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-K364 HydrophobicContact CG2-CD 4.15Å; I360-K364 VanDerWaalsContact O-CG 3.32Å; I360-K364 WeakPolarHBondContact O-CG 3.35Å; I360-K364 PolarHBondContact O-N 3.25Å |
| 361 | E | 96.4 | Very high | 94.9 | Very high | 141 Ų | 141 | 55.2 Ų | 55.2 | 66% | 0.659 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 176.5 | -172.6 | 179.5 | 177.2 | 0 | 0 | 111.1 | D357 Q358 I363 K364 K365 | D357-E361 WeakPolarHBondContact O-CB 3.22Å; D357-E361 PolarHBondContact O-N 2.9Å; Q358-E361 PolarHBondContact O-N 3.31Å; E361-I363 PolarHBondContact O-N 3.47Å; E361-K364 PolarHBondContact O-N 3.47Å; E361-K365 PolarHBondContact O-N 3.37Å |
| 362 | W | 96.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.6 | -176.7 | 94 | 0 | 0 | 0 | 111.9 | Q358 L359 K364 K365 E366 W384 M392 M396 L473 L506 | Q358-W362 WeakPolarHBondContact O-CB 3.17Å; Q358-W362 PolarHBondContact O-N 3.49Å; L359-W362 PolarHBondContact O-N 2.88Å; W362-K364 PolarHBondContact O-N 3.34Å; W362-K365 PolarHBondContact O-N 3.02Å; W362-E366 HydrophobicContact CD2-CG 3.98Å; W362-E366 HydrophobicContact CE3-CG 4.46Å; W362-E366 HydrophobicContact CG-CG 4.47Å; W362-E366 HydrophobicContact CH2-CB 4.17Å; W362-E366 HydrophobicContact CH2-CG 4.15Å; W362-E366 HydrophobicContact CZ2-CB 4.19Å; W362-E366 HydrophobicContact CZ2-CG 3.65Å; W362-E366 HydrophobicContact CZ3-CB 4.38Å; W362-E366 PolarHBondContact O-N 2.93Å; W362-W384 AromaticContact CH2-CH2 3.61Å; W362-W384 HydrophobicContact CH2-CH2 3.61Å; W362-W384 HydrophobicContact CH2-CZ2 4.22Å; W362-W384 AromaticContact CH2-CZ3 3.83Å; W362-W384 HydrophobicContact CH2-CZ3 3.83Å; W362-W384 HydrophobicContact CZ2-CH2 4.02Å; W362-W384 HydrophobicContact CZ2-CZ2 4.15Å; W362-W384 HydrophobicContact CZ2-CZ3 4.49Å; W362-M392 HydrophobicContact CZ2-CB 4.41Å; W362-M392 HydrophobicContact CZ2-SD 4.18Å; W362-M396 HydrophobicContact CB-CG 4.11Å; W362-M396 HydrophobicContact CD2-CE 3.67Å; W362-M396 HydrophobicContact CD2-CG 3.51Å; W362-M396 HydrophobicContact CD2-SD 4.36Å; W362-M396 VanDerWaalsContact CE2-CE 3.4Å; W362-M396 HydrophobicContact CE3-CE 3.65Å; W362-M396 HydrophobicContact CE3-CG 4.05Å; W362-M396 HydrophobicContact CE3-SD 4.43Å; W362-M396 HydrophobicContact CG-CB 4.39Å; W362-M396 HydrophobicContact CG-CG 3.5Å; W362-M396 HydrophobicContact CH2-CE 3.23Å; W362-M396 HydrophobicContact CZ2-CE 3.19Å; W362-M396 HydrophobicContact CZ3-CE 3.47Å; W362-M396 VanDerWaalsContact CZ3-CE 3.47Å; W362-L473 HydrophobicContact CH2-CD2 4.37Å; W362-L473 HydrophobicContact CZ3-CD1 4.44Å; W362-L473 HydrophobicContact CZ3-CD2 4.19Å; W362-L506 HydrophobicContact CZ3-CD1 4.34Å |
| 363 | I | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.3 | -72.2 | 168.7 | 0 | 0 | 0 | 110.4 | K324 L327 L359 I360 E361 K365 E366 A367 L473 D504 L506 | K324-I363 HydrophobicContact CB-CG2 4.22Å; K324-I363 HydrophobicContact CD-CG2 4.26Å; K324-I363 HydrophobicContact CG-CG2 4.4Å; L327-I363 HydrophobicContact CD1-CD1 3.91Å; L359-I363 HydrophobicContact CD1-CD1 4.27Å; L359-I363 HydrophobicContact CD1-CG1 4.37Å; L359-I363 HydrophobicContact CG-CD1 4.11Å; L359-I363 VanDerWaalsContact O-CG1 3.29Å; L359-I363 WeakPolarHBondContact O-CG1 3.32Å; L359-I363 PolarHBondContact O-N 3.45Å; I360-I363 PolarHBondContact O-N 3.12Å; E361-I363 PolarHBondContact O-N 3.47Å; I363-K365 PolarHBondContact O-N 3.05Å; I363-E366 PolarHBondContact O-N 3.45Å; I363-A367 HydrophobicContact CG2-CB 4.43Å; I363-A367 WeakPolarHBondContact O-CB 3.22Å; I363-A367 PolarHBondContact O-N 3.12Å; I363-L473 HydrophobicContact CG1-CD1 4.34Å; I363-L473 HydrophobicContact CG2-CD1 4.15Å; I363-D504 HydrophobicContact CG2-CB 3.76Å; I363-L506 HydrophobicContact CD1-CB 4.36Å |
| 364 | K | 94.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 60.8 Ų | 60.8 | 55% | 0.548 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -37.9 | 178.7 | -74.3 | 169.9 | -179.1 | 171.1 | 0 | 112.1 | I360 E361 W362 | I360-K364 HydrophobicContact CG2-CD 4.15Å; I360-K364 VanDerWaalsContact O-CG 3.32Å; I360-K364 WeakPolarHBondContact O-CG 3.35Å; I360-K364 PolarHBondContact O-N 3.25Å; E361-K364 PolarHBondContact O-N 3.47Å; W362-K364 PolarHBondContact O-N 3.34Å |
| 365 | K | 94.1 | Very high | 94.1 | Very high | 145 Ų | 145 | 61.4 Ų | 61.4 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.9 | -39.7 | 179.9 | -177.5 | -178 | 174.6 | -176.4 | 0 | 112.8 | E361 W362 I363 I368 | E361-K365 PolarHBondContact O-N 3.37Å; W362-K365 PolarHBondContact O-N 3.02Å; I363-K365 PolarHBondContact O-N 3.05Å; K365-I368 VanDerWaalsContact O-CD1 3.29Å; K365-I368 WeakPolarHBondContact O-CD1 3.45Å; K365-I368 WeakPolarHBondContact O-CG1 3.49Å |
| 366 | E | 93.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -92.9 | -20.8 | -173 | -62.7 | -62.4 | 143.9 | 0 | 0 | 113.8 | W362 I363 I368 R382 W384 L473 | W362-E366 HydrophobicContact CD2-CG 3.98Å; W362-E366 HydrophobicContact CE3-CG 4.46Å; W362-E366 HydrophobicContact CG-CG 4.47Å; W362-E366 HydrophobicContact CH2-CB 4.17Å; W362-E366 HydrophobicContact CH2-CG 4.15Å; W362-E366 HydrophobicContact CZ2-CB 4.19Å; W362-E366 HydrophobicContact CZ2-CG 3.65Å; W362-E366 HydrophobicContact CZ3-CB 4.38Å; W362-E366 PolarHBondContact O-N 2.93Å; I363-E366 PolarHBondContact O-N 3.45Å; E366-I368 PolarHBondContact O-N 3.37Å; E366-R382 IonicContact OE2-CZ 3.19Å; E366-R382 IonicContact OE2-NH1 2.61Å; E366-R382 PolarHBondContact OE2-NH1 3.36Å; E366-R382 IonicContact OE2-NH2 3.28Å; E366-R382 PolarHBondContact OE2-NH2 3.45Å; E366-W384 HydrophobicContact CB-CH2 4.49Å; E366-L473 HydrophobicContact CB-CD2 3.63Å |
| 367 | A | 91.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | trans | -80.6 | 43.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I363 L473 | I363-A367 HydrophobicContact CG2-CB 4.43Å; I363-A367 WeakPolarHBondContact O-CB 3.22Å; I363-A367 PolarHBondContact O-N 3.12Å; A367-L473 HydrophobicContact CB-CD1 4.49Å; A367-L473 HydrophobicContact CB-CD2 4Å; A367-L473 HydrophobicContact CB-CG 4.43Å | ||
| 368 | I | 91.8 | Very high | 92.4 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 35% | 0.354 | 36% | 0.355 | S | S | . | . | trans | -93.3 | 114.9 | 175.8 | -58.6 | 172.6 | 0 | 0 | 0 | 108.4 | K365 E366 E370 H371 M372 | K365-I368 VanDerWaalsContact O-CD1 3.29Å; K365-I368 WeakPolarHBondContact O-CD1 3.45Å; K365-I368 WeakPolarHBondContact O-CG1 3.49Å; E366-I368 PolarHBondContact O-N 3.37Å; I368-E370 HydrophobicContact CG2-CB 4.23Å; I368-E370 PolarHBondContact O-N 3.44Å; I368-E370 VanDerWaalsContact O-N 3.09Å; I368-H371 PolarHBondContact O-N 3.09Å; I368-M372 WeakPolarHBondContact O-CG 3.47Å | ||
| 369 | V | 88.6 | Confident | 92.1 | Very high | 53 Ų | 53 | 68 Ų | 68 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -50.9 | -38.7 | -175.2 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | H371 M372 Y380 K475 | V369-H371 PolarHBondContact O-N 2.93Å; V369-H371 VanDerWaalsContact O-N 3.16Å; V369-M372 PolarHBondContact O-N 2.8Å; V369-Y380 HydrophobicContact CG1-CD1 3.73Å; V369-Y380 HydrophobicContact CG1-CD2 4.31Å; V369-Y380 HydrophobicContact CG1-CE1 3.55Å; V369-Y380 HydrophobicContact CG1-CE2 4.15Å; V369-Y380 HydrophobicContact CG1-CG 4.11Å; V369-Y380 HydrophobicContact CG2-CD2 4.12Å; V369-Y380 HydrophobicContact CG2-CE2 4.26Å; V369-Y380 HydrophobicContact CG2-CG 4.41Å; V369-K475 HydrophobicContact CG2-CD 3.72Å |
| 370 | E | 90.2 | Very high | 92 | Very high | 175 Ų | 175 | 70.1 Ų | 70.1 | 82% | 0.818 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.2 | 179.9 | -61.3 | 178.9 | 174.9 | 0 | 0 | 113.6 | I368 | I368-E370 HydrophobicContact CG2-CB 4.23Å; I368-E370 PolarHBondContact O-N 3.44Å; I368-E370 VanDerWaalsContact O-N 3.09Å |
| 371 | H | 90.7 | Very high | 92 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -100.5 | 2.7 | 177.7 | -58.2 | 159.2 | 0 | 0 | 0 | 113 | I368 V369 | I368-H371 PolarHBondContact O-N 3.09Å; V369-H371 PolarHBondContact O-N 2.93Å; V369-H371 VanDerWaalsContact O-N 3.16Å |
| 372 | M | 94.6 | Very high | 92 | Very high | 16 Ų | 16 | 66.5 Ų | 66.5 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -107.2 | 154.7 | -176.3 | -59.6 | -179.7 | 85.6 | 0 | 0 | 111 | I368 V369 Y380 R382 L473 K475 | I368-M372 WeakPolarHBondContact O-CG 3.47Å; V369-M372 PolarHBondContact O-N 2.8Å; M372-Y380 VanDerWaalsContact CE-O 3.32Å; M372-Y380 WeakPolarHBondContact CE-O 3.33Å; M372-R382 HydrophobicContact CE-CB 4.28Å; M372-R382 HydrophobicContact CG-CB 4.16Å; M372-L473 HydrophobicContact CE-CG 4.12Å; M372-L473 WeakPolarHBondContact CE-O 3.45Å; M372-K475 HydrophobicContact CE-CB 4.04Å; M372-K475 HydrophobicContact SD-CB 4.04Å |
| 373 | T | 93.4 | Very high | 92 | Very high | 89 Ų | 89 | 68 Ų | 68 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | Q375 Y380 T381 | T373-Q375 PolarHBondContact O-N 3.2Å; T373-Y380 CarbonylContact O-C 3.59Å; T373-Y380 WeakPolarHBondContact O-CA 3.45Å; T373-T381 PolarHBondContact N-O 3.4Å; T373-T381 PolarHBondContact O-N 2.96Å |
| 374 | T | 92.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 69 Ų | 69 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121 | 173.5 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | E376 Y380 | T374-E376 WeakPolarHBondContact CG2-O 3.23Å; T374-Y380 HydrophobicContact CG2-CD1 4.19Å; T374-Y380 HydrophobicContact CG2-CE1 3.88Å; T374-Y380 WeakPolarHBondContact OG1-CD1 3.32Å; T374-Y380 WeakPolarHBondContact OG1-CE1 3.3Å |
| 375 | Q | 87.7 | Confident | 91.8 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -53.8 | 173.8 | -60.7 | -56.5 | -30.7 | 0 | 0 | 110.2 | T373 D379 T381 | T373-Q375 PolarHBondContact O-N 3.2Å; Q375-D379 HydrophobicContact CB-CB 4.49Å; Q375-D379 PolarHBondContact N-O 3.4Å; Q375-T381 HydrophobicContact CG-CG2 3.72Å; Q375-T381 PolarHBondContact NE2-OG1 3.17Å |
| 376 | E | 85.5 | Confident | 91.4 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.4 | 173.7 | -66.5 | -167.6 | 169.2 | 0 | 0 | 109.1 | T374 G378 D379 | T374-E376 WeakPolarHBondContact CG2-O 3.23Å; E376-G378 PolarHBondContact O-N 2.84Å; E376-D379 HydrophobicContact CB-CB 4.39Å; E376-D379 PolarHBondContact N-O 3.43Å; E376-D379 PolarHBondContact O-N 2.99Å; E376-D379 VanDerWaalsContact O-O 3.13Å |
| 377 | P | 83.8 | Confident | 91.1 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 76% | 0.76 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 112.1 | 176.8 | -25 | 34.9 | 0 | 0 | 0 | 111.6 | ||
| 378 | G | 88 | Confident | 91.1 | Very high | 12 Ų | 12 | 65.3 Ų | 65.3 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 7.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | E376 C476 S477 | E376-G378 PolarHBondContact O-N 2.84Å; G378-C476 CarbonylContact O-C 3.56Å; G378-C476 WeakPolarHBondContact O-CA 3.5Å; G378-S477 PolarHBondContact O-N 3.48Å |
| 379 | D | 91 | Very high | 91.1 | Very high | 35 Ų | 35 | 62 Ų | 62 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.4 | 173.7 | -177.5 | 17.2 | 0 | 0 | 0 | 110.6 | Q375 E376 L480 | Q375-D379 HydrophobicContact CB-CB 4.49Å; Q375-D379 PolarHBondContact N-O 3.4Å; E376-D379 HydrophobicContact CB-CB 4.39Å; E376-D379 PolarHBondContact N-O 3.43Å; E376-D379 PolarHBondContact O-N 2.99Å; E376-D379 VanDerWaalsContact O-O 3.13Å; D379-L480 HydrophobicContact CB-CD1 4.46Å |
| 380 | Y | 94.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | -174.3 | -52.3 | -84.6 | 0 | 0 | 0 | 110.4 | V369 M372 T373 T374 E474 K475 F502 | V369-Y380 HydrophobicContact CG1-CD1 3.73Å; V369-Y380 HydrophobicContact CG1-CD2 4.31Å; V369-Y380 HydrophobicContact CG1-CE1 3.55Å; V369-Y380 HydrophobicContact CG1-CE2 4.15Å; V369-Y380 HydrophobicContact CG1-CG 4.11Å; V369-Y380 HydrophobicContact CG2-CD2 4.12Å; V369-Y380 HydrophobicContact CG2-CE2 4.26Å; V369-Y380 HydrophobicContact CG2-CG 4.41Å; M372-Y380 VanDerWaalsContact CE-O 3.32Å; M372-Y380 WeakPolarHBondContact CE-O 3.33Å; T373-Y380 CarbonylContact O-C 3.59Å; T373-Y380 WeakPolarHBondContact O-CA 3.45Å; T374-Y380 HydrophobicContact CG2-CD1 4.19Å; T374-Y380 HydrophobicContact CG2-CE1 3.88Å; T374-Y380 WeakPolarHBondContact OG1-CD1 3.32Å; T374-Y380 WeakPolarHBondContact OG1-CE1 3.3Å; Y380-E474 CarbonylContact O-C 3.49Å; Y380-E474 WeakPolarHBondContact O-CA 3.39Å; Y380-K475 PolarHBondContact N-O 2.92Å; Y380-K475 PolarHBondContact O-N 3.26Å; Y380-F502 HydrophobicContact CD2-CE1 4.29Å; Y380-F502 AromaticContact CE2-CE1 3.9Å; Y380-F502 HydrophobicContact CE2-CE1 3.9Å; Y380-F502 HydrophobicContact CE2-CZ 4.34Å |
| 381 | T | 95.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.9 | -179.2 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | T373 Q375 L473 E474 | T373-T381 PolarHBondContact N-O 3.4Å; T373-T381 PolarHBondContact O-N 2.96Å; Q375-T381 HydrophobicContact CG-CG2 3.72Å; Q375-T381 PolarHBondContact NE2-OG1 3.17Å; T381-L473 CarbonylContact C-O 3.59Å; T381-L473 VanDerWaalsContact CA-O 3.28Å; T381-L473 WeakPolarHBondContact CA-O 3.23Å; T381-E474 HydrophobicContact CG2-CB 4.43Å; T381-E474 HydrophobicContact CG2-CG 4.27Å |
| 382 | R | 96.3 | Very high | 91.4 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 25% | 0.249 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.7 | 164.7 | -169.8 | 169.8 | 177.5 | -165 | -10.2 | 109.2 | E366 M372 W384 C472 L473 | E366-R382 IonicContact OE2-CZ 3.19Å; E366-R382 IonicContact OE2-NH1 2.61Å; E366-R382 PolarHBondContact OE2-NH1 3.36Å; E366-R382 IonicContact OE2-NH2 3.28Å; E366-R382 PolarHBondContact OE2-NH2 3.45Å; M372-R382 HydrophobicContact CE-CB 4.28Å; M372-R382 HydrophobicContact CG-CB 4.16Å; R382-W384 HydrophobicContact CB-CH2 3.85Å; R382-W384 HydrophobicContact CB-CZ2 4.45Å; R382-W384 HydrophobicContact CB-CZ3 4.08Å; R382-W384 HydrophobicContact CG-CH2 3.55Å; R382-W384 HydrophobicContact CG-CZ2 3.65Å; R382-W384 HydrophobicContact CG-CZ3 4.03Å; R382-W384 VanDerWaalsContact O-CZ3 3.3Å; R382-W384 WeakPolarHBondContact O-CZ3 3.37Å; R382-C472 CarbonylContact O-C 3.57Å; R382-C472 WeakPolarHBondContact O-CA 3.42Å; R382-L473 PolarHBondContact N-O 3.2Å; R382-L473 PolarHBondContact O-N 2.88Å |
| 383 | I | 96.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.4 | -166.9 | -66.3 | 157 | 0 | 0 | 0 | 109.9 | L471 C472 W509 V712 L716 | I383-L471 CarbonylContact C-O 3.56Å; I383-L471 VanDerWaalsContact CA-O 3.29Å; I383-L471 WeakPolarHBondContact CA-O 3.34Å; I383-C472 HydrophobicContact CG1-CB 4.02Å; I383-W509 HydrophobicContact CD1-CZ3 4.37Å; I383-V712 HydrophobicContact CD1-CG1 3.26Å; I383-L716 HydrophobicContact CD1-CD1 4.32Å; I383-L716 HydrophobicContact CG2-CD1 3.93Å; I383-L716 HydrophobicContact CG2-CD2 4.04Å |
| 384 | W | 95.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.076 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.3 | 173 | -57.9 | -98.1 | 0 | 0 | 0 | 109.1 | W362 E366 R382 D388 M392 C470 L471 L473 | W362-W384 AromaticContact CH2-CH2 3.61Å; W362-W384 HydrophobicContact CH2-CH2 3.61Å; W362-W384 HydrophobicContact CH2-CZ2 4.22Å; W362-W384 AromaticContact CH2-CZ3 3.83Å; W362-W384 HydrophobicContact CH2-CZ3 3.83Å; W362-W384 HydrophobicContact CZ2-CH2 4.02Å; W362-W384 HydrophobicContact CZ2-CZ2 4.15Å; W362-W384 HydrophobicContact CZ2-CZ3 4.49Å; E366-W384 HydrophobicContact CB-CH2 4.49Å; R382-W384 HydrophobicContact CB-CH2 3.85Å; R382-W384 HydrophobicContact CB-CZ2 4.45Å; R382-W384 HydrophobicContact CB-CZ3 4.08Å; R382-W384 HydrophobicContact CG-CH2 3.55Å; R382-W384 HydrophobicContact CG-CZ2 3.65Å; R382-W384 HydrophobicContact CG-CZ3 4.03Å; R382-W384 VanDerWaalsContact O-CZ3 3.3Å; R382-W384 WeakPolarHBondContact O-CZ3 3.37Å; W384-D388 HydrophobicContact CB-CB 4.11Å; W384-M392 HydrophobicContact CB-CG 4.28Å; W384-M392 HydrophobicContact CD2-CG 4.04Å; W384-M392 HydrophobicContact CG-CG 3.71Å; W384-M392 HydrophobicContact CZ2-SD 4.45Å; W384-C470 CarbonylContact O-C 3.6Å; W384-C470 WeakPolarHBondContact O-CA 3.36Å; W384-L471 HydrophobicContact CB-CB 4.44Å; W384-L471 HydrophobicContact CE3-CB 4.3Å; W384-L471 PolarHBondContact N-O 3.19Å; W384-L471 PolarHBondContact O-N 2.73Å; W384-L473 HydrophobicContact CH2-CB 4Å; W384-L473 HydrophobicContact CH2-CD2 4.19Å; W384-L473 HydrophobicContact CZ3-CB 3.65Å |
| 385 | H | 92 | Very high | 91.4 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.6 | -175.3 | 55.6 | 39.3 | 0 | 0 | 0 | 110.5 | A387 D388 C470 | H385-A387 PolarHBondContact O-N 3.13Å; H385-D388 WeakPolarHBondContact O-CB 3.1Å; H385-D388 PolarHBondContact O-N 3.22Å; H385-C470 HydrophobicContact CB-CB 4.5Å |
| 386 | N | 86.1 | Confident | 91.7 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -135 | -177.9 | -57.1 | -47.8 | 0 | 0 | 0 | 112.2 | D388 V389 Y467 | N386-D388 PolarHBondContact O-N 3.23Å; N386-V389 WeakPolarHBondContact O-CB 3.2Å; N386-V389 PolarHBondContact O-N 3.31Å; N386-Y467 HydrophobicContact CB-CD2 4.18Å |
| 387 | A | 86.2 | Confident | 92 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -30.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | H385 V389 Y390 V391 Y467 | H385-A387 PolarHBondContact O-N 3.13Å; A387-V389 PolarHBondContact O-N 3.06Å; A387-Y390 PolarHBondContact O-N 3.18Å; A387-Y390 VanDerWaalsContact O-N 3.11Å; A387-V391 PolarHBondContact O-N 3.32Å; A387-Y467 HydrophobicContact CB-CE2 4.22Å |
| 388 | D | 91.7 | Very high | 92.5 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60 | -30.3 | -179.2 | -61.3 | -33.2 | 0 | 0 | 0 | 112.1 | W384 H385 N386 Y390 V391 M392 | W384-D388 HydrophobicContact CB-CB 4.11Å; H385-D388 WeakPolarHBondContact O-CB 3.1Å; H385-D388 PolarHBondContact O-N 3.22Å; N386-D388 PolarHBondContact O-N 3.23Å; D388-Y390 VanDerWaalsContact C-N 3.3Å; D388-Y390 PolarHBondContact O-N 3.25Å; D388-V391 PolarHBondContact O-N 3.45Å; D388-M392 VanDerWaalsContact O-CG 3.3Å; D388-M392 WeakPolarHBondContact O-CG 3.05Å; D388-M392 PolarHBondContact O-N 3.39Å |
| 389 | V | 93 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.2 | -48.5 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | N386 A387 M392 L393 V451 Y469 L471 | N386-V389 WeakPolarHBondContact O-CB 3.2Å; N386-V389 PolarHBondContact O-N 3.31Å; A387-V389 PolarHBondContact O-N 3.06Å; V389-M392 PolarHBondContact O-N 3.06Å; V389-L393 HydrophobicContact CG1-CD1 4.08Å; V389-L393 HydrophobicContact CG1-CG 4.45Å; V389-L393 VanDerWaalsContact O-CG 3.3Å; V389-L393 WeakPolarHBondContact O-CG 3.45Å; V389-L393 PolarHBondContact O-N 3.31Å; V389-V451 HydrophobicContact CG1-CG1 4.29Å; V389-Y469 WeakPolarHBondContact CG2-O 3.45Å; V389-L471 HydrophobicContact CB-CD1 4.41Å; V389-L471 HydrophobicContact CB-CG 4.43Å; V389-L471 HydrophobicContact CG1-CD1 3.95Å; V389-L471 HydrophobicContact CG1-CD2 4.49Å; V389-L471 HydrophobicContact CG1-CG 3.89Å; V389-L471 HydrophobicContact CG2-CG 4.21Å |
| 390 | Y | 90.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.2 | -30.4 | -176.3 | -56.2 | -80.9 | 0 | 0 | 0 | 113 | A387 D388 M392 L393 K394 V451 Y452 K455 Y467 | A387-Y390 PolarHBondContact O-N 3.18Å; A387-Y390 VanDerWaalsContact O-N 3.11Å; D388-Y390 VanDerWaalsContact C-N 3.3Å; D388-Y390 PolarHBondContact O-N 3.25Å; Y390-M392 VanDerWaalsContact C-N 3.3Å; Y390-L393 HydrophobicContact CD1-CD1 4.4Å; Y390-K394 WeakPolarHBondContact O-CB 3.16Å; Y390-K394 PolarHBondContact O-N 2.97Å; Y390-V451 HydrophobicContact CD1-CG1 4.39Å; Y390-V451 HydrophobicContact CE1-CG1 3.65Å; Y390-V451 PolarHBondContact OH-O 2.98Å; Y390-Y452 AromaticContact CD1-CE1 3.98Å; Y390-Y452 HydrophobicContact CD1-CE1 3.98Å; Y390-Y452 HydrophobicContact CE1-CD1 4.46Å; Y390-Y452 HydrophobicContact CE1-CE1 4.35Å; Y390-K455 HydrophobicContact CD1-CD 3.87Å; Y390-K455 HydrophobicContact CE1-CB 3.72Å; Y390-K455 HydrophobicContact CE1-CD 3.75Å; Y390-K455 HydrophobicContact CE1-CG 3.99Å; Y390-Y467 HydrophobicContact CD2-CD1 4.3Å; Y390-Y467 HydrophobicContact CD2-CE1 4.13Å; Y390-Y467 AromaticContact CE2-CD1 3.19Å; Y390-Y467 HydrophobicContact CE2-CD1 3.19Å; Y390-Y467 HydrophobicContact CE2-CD2 4.1Å; Y390-Y467 AromaticContact CE2-CE1 3.36Å; Y390-Y467 HydrophobicContact CE2-CE1 3.36Å; Y390-Y467 HydrophobicContact CE2-CE2 4.27Å; Y390-Y467 AromaticContact CE2-CG 3.54Å; Y390-Y467 HydrophobicContact CE2-CG 3.54Å; Y390-Y467 AromaticContact CE2-CZ 3.9Å; Y390-Y467 AromaticContact CZ-CD1 3.55Å; Y390-Y467 AromaticContact CZ-CE1 3.84Å; Y390-Y467 WeakPolarHBondContact OH-CD1 3.27Å |
| 391 | V | 92.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | A387 D388 K394 A395 | A387-V391 PolarHBondContact O-N 3.32Å; D388-V391 PolarHBondContact O-N 3.45Å; V391-K394 PolarHBondContact O-N 2.85Å; V391-A395 WeakPolarHBondContact O-CB 3.43Å; V391-A395 PolarHBondContact O-N 3.5Å |
| 392 | M | 94.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 177.4 | -66.3 | -55.4 | 94.7 | 0 | 0 | 112.2 | W362 W384 D388 V389 Y390 K394 A395 M396 L471 | W362-M392 HydrophobicContact CZ2-CB 4.41Å; W362-M392 HydrophobicContact CZ2-SD 4.18Å; W384-M392 HydrophobicContact CB-CG 4.28Å; W384-M392 HydrophobicContact CD2-CG 4.04Å; W384-M392 HydrophobicContact CG-CG 3.71Å; W384-M392 HydrophobicContact CZ2-SD 4.45Å; D388-M392 VanDerWaalsContact O-CG 3.3Å; D388-M392 WeakPolarHBondContact O-CG 3.05Å; D388-M392 PolarHBondContact O-N 3.39Å; V389-M392 PolarHBondContact O-N 3.06Å; Y390-M392 VanDerWaalsContact C-N 3.3Å; M392-K394 VanDerWaalsContact C-N 3.31Å; M392-K394 PolarHBondContact O-N 2.88Å; M392-A395 CarbonylContact O-C 3.57Å; M392-A395 WeakPolarHBondContact O-CA 3.29Å; M392-A395 WeakPolarHBondContact O-CB 3.39Å; M392-A395 PolarHBondContact O-N 2.79Å; M392-M396 HydrophobicContact CB-CE 3.92Å; M392-M396 VanDerWaalsContact O-CG 3.25Å; M392-M396 WeakPolarHBondContact O-CG 3.18Å; M392-M396 PolarHBondContact O-N 3.45Å; M392-L471 HydrophobicContact CB-CD1 4.13Å |
| 393 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.5 | -71.6 | 176.8 | 0 | 0 | 0 | 112.3 | V389 Y390 A395 M396 G397 L398 L448 V451 Y452 L471 F508 | V389-L393 HydrophobicContact CG1-CD1 4.08Å; V389-L393 HydrophobicContact CG1-CG 4.45Å; V389-L393 VanDerWaalsContact O-CG 3.3Å; V389-L393 WeakPolarHBondContact O-CG 3.45Å; V389-L393 PolarHBondContact O-N 3.31Å; Y390-L393 HydrophobicContact CD1-CD1 4.4Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3.48Å; L393-M396 HydrophobicContact CD2-SD 4.03Å; L393-M396 PolarHBondContact O-N 3.47Å; L393-M396 VanDerWaalsContact O-N 3.17Å; L393-G397 PolarHBondContact O-N 3.07Å; L393-L398 HydrophobicContact CD2-CB 4.29Å; L393-L398 HydrophobicContact CD2-CD1 4.47Å; L393-L398 CarbonylContact O-C 3.55Å; L393-L398 WeakPolarHBondContact O-CA 3.47Å; L393-L398 PolarHBondContact O-N 2.94Å; L393-L448 HydrophobicContact CD1-CD2 4.43Å; L393-L448 HydrophobicContact CD2-CD2 3.88Å; L393-V451 HydrophobicContact CD1-CG1 3.63Å; L393-Y452 HydrophobicContact CD1-CE2 4.26Å; L393-L471 HydrophobicContact CD2-CD1 4.18Å; L393-L471 HydrophobicContact CG-CD1 4.21Å; L393-F508 HydrophobicContact CD2-CE1 3.91Å |
| 394 | K | 92 | Very high | 92.3 | Very high | 157 Ų | 157 | 46.1 Ų | 46.1 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 174.5 | -171.1 | 176.7 | -177.7 | 179.4 | 0 | 111.9 | Y390 V391 M392 M396 G397 | Y390-K394 WeakPolarHBondContact O-CB 3.16Å; Y390-K394 PolarHBondContact O-N 2.97Å; V391-K394 PolarHBondContact O-N 2.85Å; M392-K394 VanDerWaalsContact C-N 3.31Å; M392-K394 PolarHBondContact O-N 2.88Å; K394-M396 PolarHBondContact O-N 3.26Å; K394-G397 PolarHBondContact O-N 3.41Å; K394-G397 VanDerWaalsContact O-N 3.15Å |
| 395 | A | 92.6 | Very high | 92.3 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.4 | -22.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V391 M392 L393 | V391-A395 WeakPolarHBondContact O-CB 3.43Å; V391-A395 PolarHBondContact O-N 3.5Å; M392-A395 CarbonylContact O-C 3.57Å; M392-A395 WeakPolarHBondContact O-CA 3.29Å; M392-A395 WeakPolarHBondContact O-CB 3.39Å; M392-A395 PolarHBondContact O-N 2.79Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3.48Å |
| 396 | M | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.7 | 173.3 | -61.1 | 158.3 | -169.8 | 0 | 0 | 113.4 | L359 W362 M392 L393 K394 L398 L471 L506 | L359-M396 HydrophobicContact CD1-CB 4.37Å; L359-M396 HydrophobicContact CD1-CG 4.17Å; L359-M396 HydrophobicContact CD1-SD 4.1Å; W362-M396 HydrophobicContact CB-CG 4.11Å; W362-M396 HydrophobicContact CD2-CE 3.67Å; W362-M396 HydrophobicContact CD2-CG 3.51Å; W362-M396 HydrophobicContact CD2-SD 4.36Å; W362-M396 VanDerWaalsContact CE2-CE 3.4Å; W362-M396 HydrophobicContact CE3-CE 3.65Å; W362-M396 HydrophobicContact CE3-CG 4.05Å; W362-M396 HydrophobicContact CE3-SD 4.43Å; W362-M396 HydrophobicContact CG-CB 4.39Å; W362-M396 HydrophobicContact CG-CG 3.5Å; W362-M396 HydrophobicContact CH2-CE 3.23Å; W362-M396 HydrophobicContact CZ2-CE 3.19Å; W362-M396 HydrophobicContact CZ3-CE 3.47Å; W362-M396 VanDerWaalsContact CZ3-CE 3.47Å; M392-M396 HydrophobicContact CB-CE 3.92Å; M392-M396 VanDerWaalsContact O-CG 3.25Å; M392-M396 WeakPolarHBondContact O-CG 3.18Å; M392-M396 PolarHBondContact O-N 3.45Å; L393-M396 HydrophobicContact CD2-SD 4.03Å; L393-M396 PolarHBondContact O-N 3.47Å; L393-M396 VanDerWaalsContact O-N 3.17Å; K394-M396 PolarHBondContact O-N 3.26Å; M396-L398 HydrophobicContact CB-CB 4.38Å; M396-L398 HydrophobicContact CB-CD1 4.02Å; M396-L398 HydrophobicContact CB-CG 3.92Å; M396-L398 PolarHBondContact O-N 3.04Å; M396-L398 HydrophobicContact SD-CD1 4.15Å; M396-L471 HydrophobicContact CE-CD1 4.11Å; M396-L506 HydrophobicContact CE-CD2 4.43Å; M396-L506 HydrophobicContact SD-CD2 4.35Å |
| 397 | G | 91.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 7.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L393 K394 D399 | L393-G397 PolarHBondContact O-N 3.07Å; K394-G397 PolarHBondContact O-N 3.41Å; K394-G397 VanDerWaalsContact O-N 3.15Å; G397-D399 PolarHBondContact O-N 2.85Å |
| 398 | L | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -98.8 | 49.7 | -174.9 | -59 | 178.3 | 0 | 0 | 0 | 111.7 | H355 L359 L393 M396 L444 L448 Y452 | H355-L398 HydrophobicContact CB-CD2 4.13Å; L359-L398 HydrophobicContact CD1-CD1 4.09Å; L359-L398 HydrophobicContact CD2-CD1 4.28Å; L393-L398 HydrophobicContact CD2-CB 4.29Å; L393-L398 HydrophobicContact CD2-CD1 4.47Å; L393-L398 CarbonylContact O-C 3.55Å; L393-L398 WeakPolarHBondContact O-CA 3.47Å; L393-L398 PolarHBondContact O-N 2.94Å; M396-L398 HydrophobicContact CB-CB 4.38Å; M396-L398 HydrophobicContact CB-CD1 4.02Å; M396-L398 HydrophobicContact CB-CG 3.92Å; M396-L398 PolarHBondContact O-N 3.04Å; M396-L398 HydrophobicContact SD-CD1 4.15Å; L398-L444 HydrophobicContact CD1-CD1 4.01Å; L398-L444 HydrophobicContact CD2-CD2 4.13Å; L398-L448 HydrophobicContact CB-CD1 4.08Å; L398-L448 HydrophobicContact CB-CD2 3.93Å; L398-L448 HydrophobicContact CD1-CD2 4.38Å; L398-L448 HydrophobicContact CD2-CD1 4.14Å; L398-Y452 WeakPolarHBondContact O-CE2 3.42Å; L398-Y452 PolarHBondContact O-OH 3.19Å | ||
| 399 | D | 91.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | trans | -71.9 | -175.8 | 177 | 77.2 | 13.2 | 0 | 0 | 0 | 112.7 | G397 S401 A402 Y452 | G397-D399 PolarHBondContact O-N 2.85Å; D399-S401 PolarHBondContact O-N 2.92Å; D399-S401 VanDerWaalsContact O-N 3.16Å; D399-S401 WeakPolarHBondContact OD1-CA 3.28Å; D399-S401 VanDerWaalsContact OD1-CB 3.28Å; D399-S401 WeakPolarHBondContact OD1-CB 3.12Å; D399-S401 PolarHBondContact OD1-N 3.11Å; D399-S401 PolarHBondContact OD1-OG 2.89Å; D399-A402 VanDerWaalsContact O-CB 3.22Å; D399-A402 WeakPolarHBondContact O-CB 3.3Å; D399-A402 PolarHBondContact O-N 2.96Å; D399-Y452 VanDerWaalsContact CA-OH 3.28Å; D399-Y452 WeakPolarHBondContact CA-OH 3.38Å | ||
| 400 | Q | 90.5 | Very high | 93.4 | Very high | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.6 | -26 | -177.7 | -172.7 | 170.7 | -4.2 | 0 | 0 | 113.2 | A402 V403 Y452 | Q400-A402 VanDerWaalsContact C-N 3.28Å; Q400-A402 PolarHBondContact O-N 2.91Å; Q400-V403 WeakPolarHBondContact O-CB 3.39Å; Q400-V403 PolarHBondContact O-N 3.25Å; Q400-Y452 HydrophobicContact CB-CD1 3.83Å; Q400-Y452 HydrophobicContact CB-CD2 4.47Å; Q400-Y452 HydrophobicContact CB-CE1 3.96Å; Q400-Y452 HydrophobicContact CB-CG 4.13Å; Q400-Y452 HydrophobicContact CG-CD1 4.13Å; Q400-Y452 HydrophobicContact CG-CG 4.15Å |
| 401 | S | 92.7 | Very high | 93.4 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.6 | -25.3 | 177.1 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | D399 V403 G404 S405 | D399-S401 PolarHBondContact O-N 2.92Å; D399-S401 VanDerWaalsContact O-N 3.16Å; D399-S401 WeakPolarHBondContact OD1-CA 3.28Å; D399-S401 VanDerWaalsContact OD1-CB 3.28Å; D399-S401 WeakPolarHBondContact OD1-CB 3.12Å; D399-S401 PolarHBondContact OD1-N 3.11Å; D399-S401 PolarHBondContact OD1-OG 2.89Å; S401-V403 PolarHBondContact O-N 3.16Å; S401-G404 PolarHBondContact O-N 3.5Å; S401-S405 PolarHBondContact O-N 3.01Å; S401-S405 VanDerWaalsContact O-N 3.16Å; S401-S405 PolarHBondContact O-OG 3.41Å; S401-S405 VanDerWaalsContact O-OG 3.12Å |
| 402 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D399 Q400 S405 L406 L448 | D399-A402 VanDerWaalsContact O-CB 3.22Å; D399-A402 WeakPolarHBondContact O-CB 3.3Å; D399-A402 PolarHBondContact O-N 2.96Å; Q400-A402 VanDerWaalsContact C-N 3.28Å; Q400-A402 PolarHBondContact O-N 2.91Å; A402-S405 WeakPolarHBondContact CA-OG 3.17Å; A402-S405 PolarHBondContact O-OG 2.89Å; A402-S405 VanDerWaalsContact O-OG 3.14Å; A402-L406 VanDerWaalsContact O-CB 3.3Å; A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 VanDerWaalsContact O-CG 3.23Å; A402-L406 WeakPolarHBondContact O-CG 3.28Å; A402-L406 PolarHBondContact O-N 3.46Å; A402-L448 HydrophobicContact CB-CD1 3.97Å |
| 403 | V | 94 | Very high | 93 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | Q400 S401 K407 L448 H449 Y452 | Q400-V403 WeakPolarHBondContact O-CB 3.39Å; Q400-V403 PolarHBondContact O-N 3.25Å; S401-V403 PolarHBondContact O-N 3.16Å; V403-K407 HydrophobicContact CG1-CD 4.24Å; V403-K407 WeakPolarHBondContact O-CB 3.45Å; V403-K407 VanDerWaalsContact O-CG 3.29Å; V403-K407 WeakPolarHBondContact O-CG 3.15Å; V403-K407 PolarHBondContact O-N 3.22Å; V403-L448 HydrophobicContact CG2-CB 3.65Å; V403-H449 HydrophobicContact CG1-CB 4.05Å; V403-Y452 HydrophobicContact CG2-CD2 3.7Å; V403-Y452 HydrophobicContact CG2-CE2 4.47Å; V403-Y452 HydrophobicContact CG2-CG 4.45Å |
| 404 | G | 93 | Very high | 92.4 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S401 K407 K408 | S401-G404 PolarHBondContact O-N 3.5Å; G404-K407 PolarHBondContact O-N 2.98Å; G404-K408 WeakPolarHBondContact O-CB 3.23Å; G404-K408 PolarHBondContact O-N 3.45Å |
| 405 | S | 96.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 179.7 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | H355 S401 A402 K408 A409 | H355-S405 PolarHBondContact NE2-OG 3.26Å; H355-S405 VanDerWaalsContact NE2-OG 3.15Å; S401-S405 PolarHBondContact O-N 3.01Å; S401-S405 VanDerWaalsContact O-N 3.16Å; S401-S405 PolarHBondContact O-OG 3.41Å; S401-S405 VanDerWaalsContact O-OG 3.12Å; A402-S405 WeakPolarHBondContact CA-OG 3.17Å; A402-S405 PolarHBondContact O-OG 2.89Å; A402-S405 VanDerWaalsContact O-OG 3.14Å; S405-K408 PolarHBondContact O-N 3.24Å; S405-A409 WeakPolarHBondContact O-CB 3.28Å; S405-A409 PolarHBondContact O-N 3.04Å |
| 406 | L | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 175.6 | -69.2 | 169.9 | 0 | 0 | 0 | 112.7 | A402 A409 L410 V441 L444 A445 L448 | A402-L406 VanDerWaalsContact O-CB 3.3Å; A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 VanDerWaalsContact O-CG 3.23Å; A402-L406 WeakPolarHBondContact O-CG 3.28Å; A402-L406 PolarHBondContact O-N 3.46Å; L406-A409 PolarHBondContact O-N 2.85Å; L406-L410 WeakPolarHBondContact O-CG 3.45Å; L406-L410 PolarHBondContact O-N 3.38Å; L406-V441 HydrophobicContact CD2-CG1 4.28Å; L406-L444 HydrophobicContact CD1-CB 4.48Å; L406-L444 HydrophobicContact CD1-CD2 3.81Å; L406-L444 HydrophobicContact CD1-CG 3.84Å; L406-A445 HydrophobicContact CB-CB 3.99Å; L406-L448 HydrophobicContact CD1-CD1 3.89Å |
| 407 | K | 94.2 | Very high | 88.1 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.6 | -79 | -176.4 | 177.2 | -169.3 | 0 | 111.5 | V403 G404 A409 L410 T411 H449 | V403-K407 HydrophobicContact CG1-CD 4.24Å; V403-K407 WeakPolarHBondContact O-CB 3.45Å; V403-K407 VanDerWaalsContact O-CG 3.29Å; V403-K407 WeakPolarHBondContact O-CG 3.15Å; V403-K407 PolarHBondContact O-N 3.22Å; G404-K407 PolarHBondContact O-N 2.98Å; K407-A409 VanDerWaalsContact C-N 3.35Å; K407-A409 PolarHBondContact O-N 2.63Å; K407-L410 WeakPolarHBondContact O-CB 3.36Å; K407-L410 PolarHBondContact O-N 3.47Å; K407-T411 PolarHBondContact O-N 3.1Å; K407-T411 PolarHBondContact O-OG1 3Å; K407-H449 PolarHBondContact NZ-ND1 2.94Å |
| 408 | K | 94.4 | Very high | 85.8 | Confident | 155 Ų | 155 | 52.6 Ų | 52.6 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 175.6 | -173.2 | -179.2 | 178.8 | -174.7 | 0 | 111.4 | G404 S405 L410 T411 V412 | G404-K408 WeakPolarHBondContact O-CB 3.23Å; G404-K408 PolarHBondContact O-N 3.45Å; S405-K408 PolarHBondContact O-N 3.24Å; K408-L410 VanDerWaalsContact C-N 3.34Å; K408-L410 PolarHBondContact O-N 3.15Å; K408-T411 WeakPolarHBondContact O-CB 3.34Å; K408-T411 PolarHBondContact O-N 3.34Å; K408-V412 WeakPolarHBondContact O-CG2 3.39Å; K408-V412 PolarHBondContact O-N 3.37Å |
| 409 | A | 94.2 | Very high | 83 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A348 S405 L406 K407 T411 V412 F413 | A348-A409 HydrophobicContact CB-CB 4.01Å; S405-A409 WeakPolarHBondContact O-CB 3.28Å; S405-A409 PolarHBondContact O-N 3.04Å; L406-A409 PolarHBondContact O-N 2.85Å; K407-A409 VanDerWaalsContact C-N 3.35Å; K407-A409 PolarHBondContact O-N 2.63Å; A409-T411 PolarHBondContact O-N 3.43Å; A409-V412 PolarHBondContact O-N 2.92Å; A409-F413 HydrophobicContact CB-CE2 4.1Å; A409-F413 HydrophobicContact CB-CZ 4.5Å; A409-F413 WeakPolarHBondContact O-CD2 3.43Å; A409-F413 VanDerWaalsContact O-CG 3.23Å; A409-F413 WeakPolarHBondContact O-CG 3.38Å; A409-F413 PolarHBondContact O-N 2.85Å |
| 410 | L | 91.8 | Very high | 80.6 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.3 | -77.4 | 166.8 | 0 | 0 | 0 | 112.9 | L406 K407 K408 F413 T414 V441 E442 A445 | L406-L410 WeakPolarHBondContact O-CG 3.45Å; L406-L410 PolarHBondContact O-N 3.38Å; K407-L410 WeakPolarHBondContact O-CB 3.36Å; K407-L410 PolarHBondContact O-N 3.47Å; K408-L410 VanDerWaalsContact C-N 3.34Å; K408-L410 PolarHBondContact O-N 3.15Å; L410-F413 PolarHBondContact O-N 2.89Å; L410-T414 WeakPolarHBondContact O-CB 3.46Å; L410-T414 WeakPolarHBondContact O-CG2 3.34Å; L410-T414 PolarHBondContact O-N 2.86Å; L410-T414 PolarHBondContact O-OG1 3.42Å; L410-V441 HydrophobicContact CD1-CG1 4.06Å; L410-V441 HydrophobicContact CD2-CB 3.81Å; L410-V441 HydrophobicContact CD2-CG1 3.58Å; L410-V441 HydrophobicContact CG-CB 4.35Å; L410-V441 HydrophobicContact CG-CG1 3.57Å; L410-E442 HydrophobicContact CD1-CG 3.94Å; L410-E442 HydrophobicContact CD2-CG 3.56Å; L410-E442 HydrophobicContact CG-CG 4.4Å; L410-A445 HydrophobicContact CD1-CB 3.68Å |
| 411 | T | 91.2 | Very high | 78 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 37% | 0.368 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | K407 K408 A409 F413 T414 E415 | K407-T411 PolarHBondContact O-N 3.1Å; K407-T411 PolarHBondContact O-OG1 3Å; K408-T411 WeakPolarHBondContact O-CB 3.34Å; K408-T411 PolarHBondContact O-N 3.34Å; A409-T411 PolarHBondContact O-N 3.43Å; T411-F413 PolarHBondContact O-N 2.98Å; T411-T414 PolarHBondContact O-N 3.28Å; T411-T414 PolarHBondContact O-OG1 2.95Å; T411-E415 HydrophobicContact CG2-CG 4.08Å; T411-E415 VanDerWaalsContact CG2-OE1 3.28Å; T411-E415 WeakPolarHBondContact CG2-OE1 3.38Å; T411-E415 VanDerWaalsContact CG2-OE2 3.31Å; T411-E415 WeakPolarHBondContact CG2-OE2 3.18Å; T411-E415 WeakPolarHBondContact O-CB 3.19Å; T411-E415 PolarHBondContact O-N 3.33Å |
| 412 | V | 90.6 | Very high | 75.5 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 177 | 173.3 | 0 | 0 | 0 | 0 | 112 | E344 L345 A348 K408 A409 T414 G416 | E344-V412 HydrophobicContact CB-CG1 4.43Å; L345-V412 HydrophobicContact CD2-CG1 3.86Å; L345-V412 HydrophobicContact CG-CG1 4.44Å; A348-V412 HydrophobicContact CB-CB 3.97Å; A348-V412 HydrophobicContact CB-CG1 3.82Å; K408-V412 WeakPolarHBondContact O-CG2 3.39Å; K408-V412 PolarHBondContact O-N 3.37Å; A409-V412 PolarHBondContact O-N 2.92Å; V412-T414 PolarHBondContact O-N 3.32Å; V412-G416 WeakPolarHBondContact O-CA 3.41Å; V412-G416 PolarHBondContact O-N 2.88Å |
| 413 | F | 88.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 1% | 0.013 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.5 | -22.2 | 178.3 | -62.2 | -38.9 | 0 | 0 | 0 | 114.1 | L334 L337 L345 A348 A409 L410 T411 T417 V433 L438 | L334-F413 HydrophobicContact CD2-CE1 4.38Å; L334-F413 HydrophobicContact CD2-CE2 4.42Å; L334-F413 HydrophobicContact CD2-CZ 3.85Å; L337-F413 HydrophobicContact CD2-CE1 4.31Å; L345-F413 HydrophobicContact CD2-CD1 4.05Å; A348-F413 HydrophobicContact CB-CD1 4.24Å; A348-F413 HydrophobicContact CB-CE1 3.63Å; A348-F413 HydrophobicContact CB-CZ 3.85Å; A409-F413 HydrophobicContact CB-CE2 4.1Å; A409-F413 HydrophobicContact CB-CZ 4.5Å; A409-F413 WeakPolarHBondContact O-CD2 3.43Å; A409-F413 VanDerWaalsContact O-CG 3.23Å; A409-F413 WeakPolarHBondContact O-CG 3.38Å; A409-F413 PolarHBondContact O-N 2.85Å; L410-F413 PolarHBondContact O-N 2.89Å; T411-F413 PolarHBondContact O-N 2.98Å; F413-T417 WeakPolarHBondContact O-CG2 3.29Å; F413-V433 HydrophobicContact CB-CG2 4.1Å; F413-V433 HydrophobicContact CD1-CG2 3.81Å; F413-V433 HydrophobicContact CG-CG2 4.1Å; F413-L438 HydrophobicContact CB-CD2 3.62Å; F413-L438 HydrophobicContact CD2-CD2 4.11Å; F413-L438 HydrophobicContact CG-CD2 4.18Å |
| 414 | T | 82.5 | Confident | 70.3 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -94.8 | -39.3 | 179.6 | 49.9 | 0 | 0 | 0 | 0 | 112 | L410 T411 V412 T417 | L410-T414 WeakPolarHBondContact O-CB 3.46Å; L410-T414 WeakPolarHBondContact O-CG2 3.34Å; L410-T414 PolarHBondContact O-N 2.86Å; L410-T414 PolarHBondContact O-OG1 3.42Å; T411-T414 PolarHBondContact O-N 3.28Å; T411-T414 PolarHBondContact O-OG1 2.95Å; V412-T414 PolarHBondContact O-N 3.32Å; T414-T417 PolarHBondContact O-OG1 3.39Å |
| 415 | E | 76.5 | Confident | 67.7 | Low | 130 Ų | 130 | 81 Ų | 81 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82.5 | -40.7 | -179.3 | -67.8 | 177.9 | 177.5 | 0 | 0 | 112.9 | T411 T417 S418 | T411-E415 HydrophobicContact CG2-CG 4.08Å; T411-E415 VanDerWaalsContact CG2-OE1 3.28Å; T411-E415 WeakPolarHBondContact CG2-OE1 3.38Å; T411-E415 VanDerWaalsContact CG2-OE2 3.31Å; T411-E415 WeakPolarHBondContact CG2-OE2 3.18Å; T411-E415 WeakPolarHBondContact O-CB 3.19Å; T411-E415 PolarHBondContact O-N 3.33Å; E415-T417 PolarHBondContact O-N 3.49Å; E415-S418 PolarHBondContact O-N 2.97Å |
| 416 | G | 58 | Low | 64.9 | Low | 32 Ų | 32 | 91 Ų | 91 | 33% | 0.33 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -5.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V412 | V412-G416 WeakPolarHBondContact O-CA 3.41Å; V412-G416 PolarHBondContact O-N 2.88Å |
| 417 | T | 51.7 | Low | 62 | Low | 58 Ų | 58 | 100.3 Ų | 100.3 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.9 | 172.1 | 63.3 | 0 | 0 | 0 | 0 | 114 | F413 T414 E415 | F413-T417 WeakPolarHBondContact O-CG2 3.29Å; T414-T417 PolarHBondContact O-OG1 3.39Å; E415-T417 PolarHBondContact O-N 3.49Å |
| 418 | S | 45 | Very low | 59.5 | Low | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -96.2 | -19.8 | -173 | -52.2 | 0 | 0 | 0 | 0 | 114.5 | E415 | E415-S418 PolarHBondContact O-N 2.97Š|
| 419 | D | 36.6 | Very low | 57 | Low | 156 Ų | 156 | 99.5 Ų | 99.5 | 83% | 0.834 | 54% | 0.543 | S | S | * | . | trans | -101.9 | 25.1 | -167.1 | -123.2 | 6.8 | 0 | 0 | 0 | 114.7 | G421 | D419-G421 PolarHBondContact O-N 3.44Š| ||
| 420 | C | 39 | Very low | 54.7 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | trans | -81.7 | 85.2 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 421 | G | 36.1 | Very low | 53 | Low | 55 Ų | 55 | 107.7 Ų | 107.7 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | trans | -57.9 | 162.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D419 D423 | D419-G421 PolarHBondContact O-N 3.44Å; G421-D423 PolarHBondContact O-N 3.4Å | ||
| 422 | E | 40.6 | Very low | 51.8 | Low | 201 Ų | 201 | 110 Ų | 110 | 94% | 0.939 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -58.3 | 3.2 | -166.1 | -65.5 | 179.2 | 147.8 | 0 | 0 | 117.6 | N424 | E422-N424 PolarHBondContact O-N 2.92Š|
| 423 | D | 39.3 | Very low | 51.1 | Low | 163 Ų | 163 | 109.3 Ų | 109.3 | 87% | 0.872 | 59% | 0.591 | S | S | * | * | trans | -95 | 18.8 | -172.5 | -89.5 | -25.5 | 0 | 0 | 0 | 115.5 | G421 | G421-D423 PolarHBondContact O-N 3.4Š| ||
| 424 | N | 40 | Very low | 50.7 | Low | 96 Ų | 96 | 112.2 Ų | 112.2 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | trans | -110.8 | 26.1 | -174.5 | -105.1 | -14.6 | 0 | 0 | 0 | 117.2 | E422 R426 R427 | E422-N424 PolarHBondContact O-N 2.92Å; N424-R426 PolarHBondContact O-N 3.19Å; N424-R427 PolarHBondContact O-N 3.06Å | ||
| 425 | D | 39.9 | Very low | 50.6 | Low | 168 Ų | 168 | 110.6 Ų | 110.6 | 90% | 0.898 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 2.3 | 174.8 | -113.8 | -3.5 | 0 | 0 | 0 | 115 | ||
| 426 | R | 37 | Very low | 50.9 | Low | 244 Ų | 244 | 112 Ų | 112 | 92% | 0.921 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | -3.8 | -178.9 | -66 | -172.3 | -178.3 | 177.4 | 2.7 | 116.5 | N424 | N424-R426 PolarHBondContact O-N 3.19Š|
| 427 | R | 35.7 | Very low | 52.2 | Low | 196 Ų | 196 | 110.8 Ų | 110.8 | 74% | 0.74 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -112.7 | 114.4 | 167.8 | -73.6 | -176.9 | 180 | -172.6 | 1.6 | 106.5 | N424 | N424-R427 PolarHBondContact O-N 3.06Š|
| 428 | G | 40.6 | Very low | 53.9 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | trans | -49.6 | 156.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F430 | G428-F430 PolarHBondContact O-N 3.49Š| ||
| 429 | N | 42.3 | Very low | 56 | Low | 175 Ų | 175 | 107.7 Ų | 107.7 | 94% | 0.936 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -51.7 | 31.9 | -176.3 | -108.1 | 12.6 | 0 | 0 | 0 | 117.9 | G431 | N429-G431 VanDerWaalsContact C-N 3.34Å; N429-G431 PolarHBondContact O-N 3.46Å |
| 430 | F | 46.7 | Very low | 58.8 | Low | 147 Ų | 147 | 100.5 Ų | 100.5 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.2 | -171 | -76 | -82 | 0 | 0 | 0 | 114.7 | G428 Q432 | G428-F430 PolarHBondContact O-N 3.49Å; F430-Q432 VanDerWaalsContact C-N 3.27Å; F430-Q432 PolarHBondContact O-N 2.82Å |
| 431 | G | 56 | Low | 61.4 | Low | 38 Ų | 38 | 96.1 Ų | 96.1 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | N429 | N429-G431 VanDerWaalsContact C-N 3.34Å; N429-G431 PolarHBondContact O-N 3.46Å |
| 432 | Q | 65.1 | Low | 64.1 | Low | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -104.3 | 122.9 | -177.5 | -71.2 | -169.2 | -11 | 0 | 0 | 112.8 | S204 F430 E434 | S204-Q432 VanDerWaalsContact CB-NE2 3.28Å; S204-Q432 VanDerWaalsContact CB-OE1 3.32Å; S204-Q432 PolarHBondContact OG-OE1 3.24Å; F430-Q432 VanDerWaalsContact C-N 3.27Å; F430-Q432 PolarHBondContact O-N 2.82Å; Q432-E434 PolarHBondContact O-N 3.17Å |
| 433 | V | 75.7 | Confident | 66.7 | Low | 13 Ų | 13 | 88.1 Ų | 88.1 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | trans | -62.6 | 131.8 | 171.5 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | L337 F413 I437 L438 | L337-V433 HydrophobicContact CD2-CG2 3.73Å; F413-V433 HydrophobicContact CB-CG2 4.1Å; F413-V433 HydrophobicContact CD1-CG2 3.81Å; F413-V433 HydrophobicContact CG-CG2 4.1Å; V433-I437 HydrophobicContact CG1-CB 3.97Å; V433-I437 HydrophobicContact CG1-CD1 4.05Å; V433-I437 HydrophobicContact CG1-CG2 4.09Å; V433-L438 HydrophobicContact CB-CD2 4.06Å; V433-L438 HydrophobicContact CB-CG 4.22Å; V433-L438 HydrophobicContact CG1-CD2 3.78Å; V433-L438 HydrophobicContact CG1-CG 3.94Å | ||
| 434 | E | 80.6 | Confident | 69.5 | Low | 65 Ų | 65 | 80.4 Ų | 80.4 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | trans | -59.3 | 132.4 | 179.1 | -171.9 | 178.4 | 161.5 | 0 | 0 | 110.3 | Q333 Q432 R436 I437 L438 | Q333-E434 PolarHBondContact NE2-OE2 3.36Å; Q333-E434 PolarHBondContact OE1-OE2 3.17Å; Q432-E434 PolarHBondContact O-N 3.17Å; E434-R436 HydrophobicContact CG-CB 4.38Å; E434-R436 PolarHBondContact O-N 3.32Å; E434-R436 WeakPolarHBondContact OE1-CD 3.3Å; E434-I437 HydrophobicContact CB-CD1 3.84Å; E434-I437 HydrophobicContact CB-CG1 4.1Å; E434-I437 WeakPolarHBondContact O-CB 3.37Å; E434-I437 PolarHBondContact O-N 3.46Å; E434-L438 PolarHBondContact O-N 2.82Å | ||
| 435 | P | 79.6 | Confident | 72.1 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -53.5 | -29.3 | -178.5 | -30.2 | 35.5 | 0 | 0 | 0 | 114.8 | L438 V439 | P435-L438 PolarHBondContact O-N 3.25Å; P435-V439 WeakPolarHBondContact O-CG2 3.41Å; P435-V439 PolarHBondContact O-N 2.95Å; P435-V439 VanDerWaalsContact O-N 3.11Å |
| 436 | R | 83 | Confident | 74.7 | Confident | 158 Ų | 158 | 70.1 Ų | 70.1 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 177.4 | -69.4 | -175.2 | 176.7 | 167.4 | -1.6 | 112.3 | E434 V439 T440 | E434-R436 HydrophobicContact CG-CB 4.38Å; E434-R436 PolarHBondContact O-N 3.32Å; E434-R436 WeakPolarHBondContact OE1-CD 3.3Å; R436-V439 PolarHBondContact O-N 2.95Å; R436-T440 PolarHBondContact O-N 2.94Å; R436-T440 VanDerWaalsContact O-N 3.09Å; R436-T440 PolarHBondContact O-OG1 3.07Å; R436-T440 VanDerWaalsContact O-OG1 3.07Å |
| 437 | I | 86.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.1 | -55 | 166.9 | 0 | 0 | 0 | 109.5 | A330 Q333 L334 V433 E434 V439 T440 V441 | A330-I437 HydrophobicContact CB-CG2 4.26Å; Q333-I437 HydrophobicContact CB-CD1 3.39Å; Q333-I437 HydrophobicContact CB-CG1 4.16Å; Q333-I437 HydrophobicContact CG-CD1 4.26Å; L334-I437 HydrophobicContact CD1-CG2 4.05Å; L334-I437 HydrophobicContact CD2-CG2 3.92Å; L334-I437 HydrophobicContact CG-CG2 3.85Å; V433-I437 HydrophobicContact CG1-CB 3.97Å; V433-I437 HydrophobicContact CG1-CD1 4.05Å; V433-I437 HydrophobicContact CG1-CG2 4.09Å; E434-I437 HydrophobicContact CB-CD1 3.84Å; E434-I437 HydrophobicContact CB-CG1 4.1Å; E434-I437 WeakPolarHBondContact O-CB 3.37Å; E434-I437 PolarHBondContact O-N 3.46Å; I437-V439 VanDerWaalsContact C-N 3.28Å; I437-V439 PolarHBondContact O-N 2.94Å; I437-T440 WeakPolarHBondContact O-CB 3.41Å; I437-T440 PolarHBondContact O-N 3.46Å; I437-V441 HydrophobicContact CG2-CG2 4.32Å; I437-V441 WeakPolarHBondContact O-CG2 3.44Å; I437-V441 PolarHBondContact O-N 3.16Å |
| 438 | L | 87.8 | Confident | 80.4 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -44.7 | 178.3 | -65.1 | 178.1 | 0 | 0 | 0 | 111.2 | F413 V433 E434 P435 T440 V441 E442 | F413-L438 HydrophobicContact CB-CD2 3.62Å; F413-L438 HydrophobicContact CD2-CD2 4.11Å; F413-L438 HydrophobicContact CG-CD2 4.18Å; V433-L438 HydrophobicContact CB-CD2 4.06Å; V433-L438 HydrophobicContact CB-CG 4.22Å; V433-L438 HydrophobicContact CG1-CD2 3.78Å; V433-L438 HydrophobicContact CG1-CG 3.94Å; E434-L438 PolarHBondContact O-N 2.82Å; P435-L438 PolarHBondContact O-N 3.25Å; L438-T440 VanDerWaalsContact C-N 3.33Å; L438-T440 PolarHBondContact O-N 2.85Å; L438-V441 PolarHBondContact O-N 2.96Å; L438-E442 WeakPolarHBondContact O-CB 3.2Å; L438-E442 VanDerWaalsContact O-CG 3.28Å; L438-E442 WeakPolarHBondContact O-CG 3.32Å; L438-E442 PolarHBondContact O-N 3.4Å |
| 439 | V | 89.1 | Confident | 83 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | P435 R436 I437 E442 K443 | P435-V439 WeakPolarHBondContact O-CG2 3.41Å; P435-V439 PolarHBondContact O-N 2.95Å; P435-V439 VanDerWaalsContact O-N 3.11Å; R436-V439 PolarHBondContact O-N 2.95Å; I437-V439 VanDerWaalsContact C-N 3.28Å; I437-V439 PolarHBondContact O-N 2.94Å; V439-E442 PolarHBondContact O-N 3.19Å; V439-K443 HydrophobicContact CG1-CD 4.27Å; V439-K443 HydrophobicContact CG1-CG 4.43Å; V439-K443 WeakPolarHBondContact O-CB 3.38Å; V439-K443 VanDerWaalsContact O-CG 3.27Å; V439-K443 WeakPolarHBondContact O-CG 3.37Å; V439-K443 PolarHBondContact O-N 3.3Å |
| 440 | T | 93.8 | Very high | 85.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | L322 E326 L327 A330 F356 R436 I437 L438 K443 L444 | L322-T440 HydrophobicContact CD2-CG2 3.87Å; E326-T440 HydrophobicContact CG-CG2 3.84Å; E326-T440 WeakPolarHBondContact CG-OG1 3.47Å; E326-T440 PolarHBondContact OE1-OG1 3.42Å; L327-T440 HydrophobicContact CD2-CG2 4.06Å; A330-T440 HydrophobicContact CB-CG2 4.3Å; F356-T440 HydrophobicContact CE2-CG2 4.37Å; F356-T440 HydrophobicContact CZ-CG2 3.95Å; R436-T440 PolarHBondContact O-N 2.94Å; R436-T440 VanDerWaalsContact O-N 3.09Å; R436-T440 PolarHBondContact O-OG1 3.07Å; R436-T440 VanDerWaalsContact O-OG1 3.07Å; I437-T440 WeakPolarHBondContact O-CB 3.41Å; I437-T440 PolarHBondContact O-N 3.46Å; L438-T440 VanDerWaalsContact C-N 3.33Å; L438-T440 PolarHBondContact O-N 2.85Å; T440-K443 PolarHBondContact O-N 3.41Å; T440-L444 PolarHBondContact O-N 3.33Å |
| 441 | V | 94.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | F356 L406 L410 I437 L438 L444 A445 | F356-V441 HydrophobicContact CE2-CG2 3.93Å; F356-V441 HydrophobicContact CZ-CB 4.34Å; F356-V441 HydrophobicContact CZ-CG2 3.61Å; L406-V441 HydrophobicContact CD2-CG1 4.28Å; L410-V441 HydrophobicContact CD1-CG1 4.06Å; L410-V441 HydrophobicContact CD2-CB 3.81Å; L410-V441 HydrophobicContact CD2-CG1 3.58Å; L410-V441 HydrophobicContact CG-CB 4.35Å; L410-V441 HydrophobicContact CG-CG1 3.57Å; I437-V441 HydrophobicContact CG2-CG2 4.32Å; I437-V441 WeakPolarHBondContact O-CG2 3.44Å; I437-V441 PolarHBondContact O-N 3.16Å; L438-V441 PolarHBondContact O-N 2.96Å; V441-L444 PolarHBondContact O-N 2.54Å; V441-A445 WeakPolarHBondContact O-CB 3.48Å; V441-A445 PolarHBondContact O-N 3.06Å |
| 442 | E | 93.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 33.3 Ų | 33.3 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 177.1 | -76.6 | -170.4 | 141 | 0 | 0 | 111.8 | L288 K291 L410 L438 V439 L444 A445 Y446 | L288-E442 HydrophobicContact CD2-CB 3.95Å; K291-E442 IonicContact NZ-OE1 2.95Å; K291-E442 PolarHBondContact NZ-OE1 3.18Å; L410-E442 HydrophobicContact CD1-CG 3.94Å; L410-E442 HydrophobicContact CD2-CG 3.56Å; L410-E442 HydrophobicContact CG-CG 4.4Å; L438-E442 WeakPolarHBondContact O-CB 3.2Å; L438-E442 VanDerWaalsContact O-CG 3.28Å; L438-E442 WeakPolarHBondContact O-CG 3.32Å; L438-E442 PolarHBondContact O-N 3.4Å; V439-E442 PolarHBondContact O-N 3.19Å; E442-L444 VanDerWaalsContact C-N 3.31Å; E442-L444 PolarHBondContact O-N 3Å; E442-A445 PolarHBondContact O-N 2.87Å; E442-Y446 WeakPolarHBondContact O-CB 3.4Å; E442-Y446 VanDerWaalsContact O-CD2 3.3Å; E442-Y446 WeakPolarHBondContact O-CD2 3.25Å; E442-Y446 PolarHBondContact O-N 3.19Å |
| 443 | K | 94.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 31 Ų | 31 | 21% | 0.213 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.2 | -47.7 | 176.3 | -77.4 | 171.4 | -178 | 171.6 | 0 | 111.6 | L288 F320 L322 E326 V439 T440 A447 | L288-K443 HydrophobicContact CD1-CG 4.4Å; F320-K443 HydrophobicContact CD1-CB 4.44Å; L322-K443 HydrophobicContact CD2-CB 3.97Å; L322-K443 HydrophobicContact CD2-CD 3.89Å; E326-K443 IonicContact OE1-NZ 2.64Å; E326-K443 PolarHBondContact OE1-NZ 3.13Å; E326-K443 IonicContact OE2-NZ 2.68Å; E326-K443 PolarHBondContact OE2-NZ 2.91Å; V439-K443 HydrophobicContact CG1-CD 4.27Å; V439-K443 HydrophobicContact CG1-CG 4.43Å; V439-K443 WeakPolarHBondContact O-CB 3.38Å; V439-K443 VanDerWaalsContact O-CG 3.27Å; V439-K443 WeakPolarHBondContact O-CG 3.37Å; V439-K443 PolarHBondContact O-N 3.3Å; T440-K443 PolarHBondContact O-N 3.41Å; K443-A447 WeakPolarHBondContact O-CB 3.25Å; K443-A447 PolarHBondContact O-N 3.11Å |
| 444 | L | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 180 | -175.9 | 60.9 | 0 | 0 | 0 | 111.4 | L322 F356 L359 L398 L406 T440 V441 E442 Y446 A447 L448 F508 | L322-L444 HydrophobicContact CD1-CB 3.97Å; L322-L444 HydrophobicContact CD1-CD1 3.89Å; L322-L444 HydrophobicContact CD1-CG 4.45Å; F356-L444 HydrophobicContact CD1-CD2 3.91Å; F356-L444 HydrophobicContact CE1-CB 4.47Å; F356-L444 HydrophobicContact CE1-CD2 3.58Å; L359-L444 HydrophobicContact CD2-CD1 4.48Å; L398-L444 HydrophobicContact CD1-CD1 4.01Å; L398-L444 HydrophobicContact CD2-CD2 4.13Å; L406-L444 HydrophobicContact CD1-CB 4.48Å; L406-L444 HydrophobicContact CD1-CD2 3.81Å; L406-L444 HydrophobicContact CD1-CG 3.84Å; T440-L444 PolarHBondContact O-N 3.33Å; V441-L444 PolarHBondContact O-N 2.54Å; E442-L444 VanDerWaalsContact C-N 3.31Å; E442-L444 PolarHBondContact O-N 3Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.25Å; L444-A447 PolarHBondContact O-N 3.39Å; L444-L448 HydrophobicContact CD1-CD1 4.13Å; L444-L448 HydrophobicContact CD1-CG 4.15Å; L444-L448 HydrophobicContact CG-CD1 4.11Å; L444-L448 HydrophobicContact CG-CG 4.48Å; L444-L448 WeakPolarHBondContact O-CG 3.35Å; L444-L448 PolarHBondContact O-N 3.47Å; L444-F508 HydrophobicContact CD1-CZ 4.18Å |
| 445 | A | 95.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L406 L410 V441 E442 H449 | L406-A445 HydrophobicContact CB-CB 3.99Å; L410-A445 HydrophobicContact CD1-CB 3.68Å; V441-A445 WeakPolarHBondContact O-CB 3.48Å; V441-A445 PolarHBondContact O-N 3.06Å; E442-A445 PolarHBondContact O-N 2.87Å; A445-H449 WeakPolarHBondContact O-CB 3.41Å; A445-H449 PolarHBondContact O-N 3.31Å |
| 446 | Y | 94.6 | Very high | 89.6 | Confident | 48 Ų | 48 | 30.6 Ų | 30.6 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.6 | -40.8 | 177.1 | -86.9 | -88.7 | 0 | 0 | 0 | 112.4 | P287 L288 K291 E442 L444 L448 H449 Y450 | P287-Y446 HydrophobicContact CB-CD1 4.12Å; P287-Y446 HydrophobicContact CB-CE1 3.75Å; P287-Y446 HydrophobicContact CG-CD1 4.1Å; P287-Y446 HydrophobicContact CG-CE1 4.24Å; L288-Y446 HydrophobicContact CD2-CD2 3.35Å; L288-Y446 HydrophobicContact CD2-CE2 3.52Å; L288-Y446 HydrophobicContact CD2-CG 3.91Å; L288-Y446 HydrophobicContact CG-CD2 4.42Å; K291-Y446 WeakPolarHBondContact CD-OH 3.32Å; E442-Y446 WeakPolarHBondContact O-CB 3.4Å; E442-Y446 VanDerWaalsContact O-CD2 3.3Å; E442-Y446 WeakPolarHBondContact O-CD2 3.25Å; E442-Y446 PolarHBondContact O-N 3.19Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.25Å; Y446-L448 PolarHBondContact O-N 3.23Å; Y446-H449 PolarHBondContact O-N 2.92Å; Y446-Y450 AromaticContact CD1-CE2 3.93Å; Y446-Y450 HydrophobicContact CD1-CE2 3.93Å; Y446-Y450 VanDerWaalsContact O-CD2 3.3Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.4Å; Y446-Y450 PolarHBondContact O-N 3.37Å |
| 447 | A | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F320 K443 L444 Y450 V451 F508 | F320-A447 HydrophobicContact CB-CB 3.79Å; F320-A447 HydrophobicContact CD2-CB 3.54Å; F320-A447 HydrophobicContact CE2-CB 4.34Å; F320-A447 HydrophobicContact CG-CB 3.78Å; K443-A447 WeakPolarHBondContact O-CB 3.25Å; K443-A447 PolarHBondContact O-N 3.11Å; L444-A447 PolarHBondContact O-N 3.39Å; A447-Y450 PolarHBondContact O-N 3.27Å; A447-V451 WeakPolarHBondContact O-CB 3.2Å; A447-V451 WeakPolarHBondContact O-CG2 3.48Å; A447-V451 PolarHBondContact O-N 3.46Å; A447-F508 HydrophobicContact CB-CB 4.31Å; A447-F508 HydrophobicContact CB-CD1 3.96Å; A447-F508 HydrophobicContact CB-CD2 3.97Å; A447-F508 HydrophobicContact CB-CE1 4.22Å; A447-F508 HydrophobicContact CB-CE2 4.27Å; A447-F508 HydrophobicContact CB-CG 3.83Å; A447-F508 HydrophobicContact CB-CZ 4.38Å |
| 448 | L | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | 178.8 | -61.5 | 176.9 | 0 | 0 | 0 | 111.7 | L393 L398 A402 V403 L406 L444 Y446 Y450 V451 Y452 F508 | L393-L448 HydrophobicContact CD1-CD2 4.43Å; L393-L448 HydrophobicContact CD2-CD2 3.88Å; L398-L448 HydrophobicContact CB-CD1 4.08Å; L398-L448 HydrophobicContact CB-CD2 3.93Å; L398-L448 HydrophobicContact CD1-CD2 4.38Å; L398-L448 HydrophobicContact CD2-CD1 4.14Å; A402-L448 HydrophobicContact CB-CD1 3.97Å; V403-L448 HydrophobicContact CG2-CB 3.65Å; L406-L448 HydrophobicContact CD1-CD1 3.89Å; L444-L448 HydrophobicContact CD1-CD1 4.13Å; L444-L448 HydrophobicContact CD1-CG 4.15Å; L444-L448 HydrophobicContact CG-CD1 4.11Å; L444-L448 HydrophobicContact CG-CG 4.48Å; L444-L448 WeakPolarHBondContact O-CG 3.35Å; L444-L448 PolarHBondContact O-N 3.47Å; Y446-L448 PolarHBondContact O-N 3.23Å; L448-Y450 PolarHBondContact O-N 3.03Å; L448-V451 PolarHBondContact O-N 2.79Å; L448-Y452 HydrophobicContact CB-CD2 4.31Å; L448-Y452 HydrophobicContact CD2-CE2 4.33Å; L448-Y452 WeakPolarHBondContact O-CB 3.3Å; L448-Y452 VanDerWaalsContact O-CD2 3.25Å; L448-Y452 WeakPolarHBondContact O-CD2 3.08Å; L448-Y452 PolarHBondContact O-N 2.9Å; L448-F508 HydrophobicContact CD2-CE1 4.26Å |
| 449 | H | 94.1 | Very high | 85.7 | Confident | 55 Ų | 55 | 32.5 Ų | 32.5 | 26% | 0.255 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -55.3 | -50.3 | 177.1 | 174.7 | 57.7 | 0 | 0 | 0 | 111.8 | V403 K407 A445 Y446 M453 | V403-H449 HydrophobicContact CG1-CB 4.05Å; K407-H449 PolarHBondContact NZ-ND1 2.94Å; A445-H449 WeakPolarHBondContact O-CB 3.41Å; A445-H449 PolarHBondContact O-N 3.31Å; Y446-H449 PolarHBondContact O-N 2.92Å; H449-M453 WeakPolarHBondContact O-CB 3.36Å; H449-M453 PolarHBondContact O-N 2.98Å |
| 450 | Y | 92.9 | Very high | 83.9 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 179.8 | -78 | -77 | 0 | 0 | 0 | 113.2 | P287 V318 F320 Y446 A447 L448 M453 D454 Y469 L515 | P287-Y450 HydrophobicContact CB-CE2 4.34Å; P287-Y450 WeakPolarHBondContact CB-OH 3.3Å; P287-Y450 HydrophobicContact CG-CE2 3.72Å; P287-Y450 WeakPolarHBondContact CG-OH 3.41Å; V318-Y450 HydrophobicContact CB-CD1 4.45Å; V318-Y450 HydrophobicContact CB-CD2 4.14Å; V318-Y450 HydrophobicContact CB-CE2 4.32Å; V318-Y450 HydrophobicContact CB-CG 4.23Å; V318-Y450 HydrophobicContact CG1-CD1 4.09Å; V318-Y450 HydrophobicContact CG1-CD2 3.92Å; V318-Y450 HydrophobicContact CG1-CE1 3.8Å; V318-Y450 HydrophobicContact CG1-CE2 3.6Å; V318-Y450 HydrophobicContact CG1-CG 4.17Å; F320-Y450 HydrophobicContact CE2-CD2 4.14Å; F320-Y450 HydrophobicContact CZ-CD2 4.33Å; Y446-Y450 AromaticContact CD1-CE2 3.93Å; Y446-Y450 HydrophobicContact CD1-CE2 3.93Å; Y446-Y450 VanDerWaalsContact O-CD2 3.3Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.4Å; Y446-Y450 PolarHBondContact O-N 3.37Å; A447-Y450 PolarHBondContact O-N 3.27Å; L448-Y450 PolarHBondContact O-N 3.03Å; Y450-M453 HydrophobicContact CD1-CE 3.64Å; Y450-M453 HydrophobicContact CE1-CE 3.91Å; Y450-M453 PolarHBondContact O-N 3.11Å; Y450-D454 WeakPolarHBondContact O-CB 3.48Å; Y450-D454 PolarHBondContact O-N 2.59Å; Y450-Y469 WeakPolarHBondContact CB-OH 3.44Å; Y450-L515 HydrophobicContact CD1-CB 4.32Å |
| 451 | V | 93 | Very high | 81.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | V389 Y390 L393 A447 L448 D454 K455 Y469 F508 | V389-V451 HydrophobicContact CG1-CG1 4.29Å; Y390-V451 HydrophobicContact CD1-CG1 4.39Å; Y390-V451 HydrophobicContact CE1-CG1 3.65Å; Y390-V451 PolarHBondContact OH-O 2.98Å; L393-V451 HydrophobicContact CD1-CG1 3.63Å; A447-V451 WeakPolarHBondContact O-CB 3.2Å; A447-V451 WeakPolarHBondContact O-CG2 3.48Å; A447-V451 PolarHBondContact O-N 3.46Å; L448-V451 PolarHBondContact O-N 2.79Å; V451-D454 PolarHBondContact O-N 3.24Å; V451-K455 PolarHBondContact O-N 3.38Å; V451-K455 VanDerWaalsContact O-N 3.16Å; V451-Y469 HydrophobicContact CB-CD2 4.26Å; V451-Y469 HydrophobicContact CB-CG 4.49Å; V451-Y469 HydrophobicContact CG2-CD1 3.68Å; V451-Y469 HydrophobicContact CG2-CD2 3.73Å; V451-Y469 HydrophobicContact CG2-CE1 3.99Å; V451-Y469 HydrophobicContact CG2-CE2 4.03Å; V451-Y469 HydrophobicContact CG2-CG 3.55Å; V451-F508 HydrophobicContact CG2-CD1 4.24Å |
| 452 | Y | 91.6 | Very high | 79.6 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.5 | -29.1 | 179 | -76.2 | -67.7 | 0 | 0 | 0 | 113.6 | Y390 L393 L398 D399 Q400 V403 L448 D454 K455 G456 | Y390-Y452 AromaticContact CD1-CE1 3.98Å; Y390-Y452 HydrophobicContact CD1-CE1 3.98Å; Y390-Y452 HydrophobicContact CE1-CD1 4.46Å; Y390-Y452 HydrophobicContact CE1-CE1 4.35Å; L393-Y452 HydrophobicContact CD1-CE2 4.26Å; L398-Y452 WeakPolarHBondContact O-CE2 3.42Å; L398-Y452 PolarHBondContact O-OH 3.19Å; D399-Y452 VanDerWaalsContact CA-OH 3.28Å; D399-Y452 WeakPolarHBondContact CA-OH 3.38Å; Q400-Y452 HydrophobicContact CB-CD1 3.83Å; Q400-Y452 HydrophobicContact CB-CD2 4.47Å; Q400-Y452 HydrophobicContact CB-CE1 3.96Å; Q400-Y452 HydrophobicContact CB-CG 4.13Å; Q400-Y452 HydrophobicContact CG-CD1 4.13Å; Q400-Y452 HydrophobicContact CG-CG 4.15Å; V403-Y452 HydrophobicContact CG2-CD2 3.7Å; V403-Y452 HydrophobicContact CG2-CE2 4.47Å; V403-Y452 HydrophobicContact CG2-CG 4.45Å; L448-Y452 HydrophobicContact CB-CD2 4.31Å; L448-Y452 HydrophobicContact CD2-CE2 4.33Å; L448-Y452 WeakPolarHBondContact O-CB 3.3Å; L448-Y452 VanDerWaalsContact O-CD2 3.25Å; L448-Y452 WeakPolarHBondContact O-CD2 3.08Å; L448-Y452 PolarHBondContact O-N 2.9Å; Y452-D454 VanDerWaalsContact C-N 3.34Å; Y452-K455 HydrophobicContact CD1-CD 4.04Å; Y452-K455 HydrophobicContact CE1-CD 4.26Å; Y452-K455 WeakPolarHBondContact O-CB 3.46Å; Y452-K455 PolarHBondContact O-N 2.99Å; Y452-G456 PolarHBondContact O-N 3.47Å |
| 453 | M | 85.6 | Confident | 77.3 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 170.6 | -173.3 | -177.2 | 74.8 | 0 | 0 | 111.3 | H449 Y450 G456 N457 L515 | H449-M453 WeakPolarHBondContact O-CB 3.36Å; H449-M453 PolarHBondContact O-N 2.98Å; Y450-M453 HydrophobicContact CD1-CE 3.64Å; Y450-M453 HydrophobicContact CE1-CE 3.91Å; Y450-M453 PolarHBondContact O-N 3.11Å; M453-G456 PolarHBondContact O-N 3.37Å; M453-N457 PolarHBondContact O-N 3.08Å; M453-N457 VanDerWaalsContact O-N 3.11Å; M453-N457 PolarHBondContact O-ND2 3.2Å; M453-N457 VanDerWaalsContact O-ND2 3.13Å; M453-L515 HydrophobicContact CE-CD2 3.99Å |
| 454 | D | 81.3 | Confident | 75.4 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 173.8 | -175.4 | 68 | 0 | 0 | 0 | 111.5 | Y450 V451 Y452 G456 N457 V458 S468 Y469 L515 | Y450-D454 WeakPolarHBondContact O-CB 3.48Å; Y450-D454 PolarHBondContact O-N 2.59Å; V451-D454 PolarHBondContact O-N 3.24Å; Y452-D454 VanDerWaalsContact C-N 3.34Å; D454-G456 VanDerWaalsContact C-N 3.33Å; D454-G456 PolarHBondContact O-N 3.49Å; D454-N457 PolarHBondContact O-N 3.07Å; D454-V458 WeakPolarHBondContact O-CG2 3.44Å; D454-V458 PolarHBondContact O-N 3.35Å; D454-S468 VanDerWaalsContact CG-CB 3.41Å; D454-S468 VanDerWaalsContact CG-OG 3.26Å; D454-S468 WeakPolarHBondContact OD1-CB 3.19Å; D454-S468 PolarHBondContact OD1-OG 2.96Å; D454-S468 VanDerWaalsContact OD2-CB 3.3Å; D454-S468 WeakPolarHBondContact OD2-CB 3.41Å; D454-S468 PolarHBondContact OD2-N 3.22Å; D454-S468 PolarHBondContact OD2-OG 3.2Å; D454-Y469 HydrophobicContact CB-CD2 4.43Å; D454-Y469 HydrophobicContact CB-CE2 4.47Å; D454-L515 HydrophobicContact CB-CD1 4.11Å; D454-L515 HydrophobicContact CB-CD2 4.28Å |
| 455 | K | 73.7 | Confident | 73.7 | Confident | 58 Ų | 58 | 45 Ų | 45 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.8 | -46.5 | 174.3 | -171 | -172.8 | 177.3 | -174.9 | 0 | 112.5 | Y390 V451 Y452 V458 L459 Y467 | Y390-K455 HydrophobicContact CD1-CD 3.87Å; Y390-K455 HydrophobicContact CE1-CB 3.72Å; Y390-K455 HydrophobicContact CE1-CD 3.75Å; Y390-K455 HydrophobicContact CE1-CG 3.99Å; V451-K455 PolarHBondContact O-N 3.38Å; V451-K455 VanDerWaalsContact O-N 3.16Å; Y452-K455 HydrophobicContact CD1-CD 4.04Å; Y452-K455 HydrophobicContact CE1-CD 4.26Å; Y452-K455 WeakPolarHBondContact O-CB 3.46Å; Y452-K455 PolarHBondContact O-N 2.99Å; K455-V458 PolarHBondContact O-N 2.99Å; K455-L459 HydrophobicContact CG-CD1 4.18Å; K455-L459 WeakPolarHBondContact O-CG 3.4Å; K455-L459 PolarHBondContact O-N 2.75Å; K455-L459 VanDerWaalsContact O-N 3.08Å; K455-Y467 HydrophobicContact CG-CE1 4.32Å |
| 456 | G | 66.7 | Low | 72.5 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y452 M453 D454 V458 L459 S460 | Y452-G456 PolarHBondContact O-N 3.47Å; M453-G456 PolarHBondContact O-N 3.37Å; D454-G456 VanDerWaalsContact C-N 3.33Å; D454-G456 PolarHBondContact O-N 3.49Å; G456-V458 VanDerWaalsContact C-N 3.32Å; G456-V458 PolarHBondContact O-N 2.7Å; G456-L459 PolarHBondContact O-N 2.89Å; G456-S460 WeakPolarHBondContact O-CB 3.23Å; G456-S460 PolarHBondContact O-N 3.16Å; G456-S460 PolarHBondContact O-OG 2.8Å |
| 457 | N | 63 | Low | 72 | Confident | 85 Ų | 85 | 45 Ų | 45 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 177.8 | -70.6 | -38.5 | 0 | 0 | 0 | 113.2 | M453 D454 S460 | M453-N457 PolarHBondContact O-N 3.08Å; M453-N457 VanDerWaalsContact O-N 3.11Å; M453-N457 PolarHBondContact O-ND2 3.2Å; M453-N457 VanDerWaalsContact O-ND2 3.13Å; D454-N457 PolarHBondContact O-N 3.07Å; N457-S460 PolarHBondContact O-OG 3.08Å |
| 458 | V | 58.4 | Low | 71.8 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | D454 K455 G456 N464 Y467 | D454-V458 WeakPolarHBondContact O-CG2 3.44Å; D454-V458 PolarHBondContact O-N 3.35Å; K455-V458 PolarHBondContact O-N 2.99Å; G456-V458 VanDerWaalsContact C-N 3.32Å; G456-V458 PolarHBondContact O-N 2.7Å; V458-N464 VanDerWaalsContact CG1-O 3.31Å; V458-N464 WeakPolarHBondContact CG1-O 3.37Å; V458-Y467 HydrophobicContact CG1-CE1 4.39Å; V458-Y467 HydrophobicContact CG2-CD1 4.49Å |
| 459 | L | 54.6 | Low | 71.7 | Confident | 127 Ų | 127 | 45.1 Ų | 45.1 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.5 | -30 | 179.9 | -66.5 | 172.8 | 0 | 0 | 0 | 113.5 | K455 G456 | K455-L459 HydrophobicContact CG-CD1 4.18Å; K455-L459 WeakPolarHBondContact O-CG 3.4Å; K455-L459 PolarHBondContact O-N 2.75Å; K455-L459 VanDerWaalsContact O-N 3.08Å; G456-L459 PolarHBondContact O-N 2.89Å |
| 460 | S | 52.1 | Low | 71.8 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 69% | 0.685 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -87.3 | -9 | -172.2 | 69.4 | 0 | 0 | 0 | 0 | 115.5 | G456 N457 | G456-S460 WeakPolarHBondContact O-CB 3.23Å; G456-S460 PolarHBondContact O-N 3.16Å; G456-S460 PolarHBondContact O-OG 2.8Å; N457-S460 PolarHBondContact O-OG 3.08Å |
| 461 | G | 48.8 | Very low | 72 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 161.8 | 78.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 462 | S | 48.2 | Very low | 72.2 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | trans | 170.5 | 130.8 | 150.9 | 176 | 0 | 0 | 0 | 0 | 106.9 | N464 | S462-N464 PolarHBondContact O-N 3.37Š| ||
| 463 | S | 44.9 | Very low | 72.5 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -62.6 | 25.5 | -173 | 67 | 0 | 0 | 0 | 0 | 117.2 | ||
| 464 | N | 55.2 | Low | 73 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | trans | -107.4 | 103.5 | -177.8 | -70.6 | 19.7 | 0 | 0 | 0 | 109.2 | V458 S462 T466 R724 G727 C728 | V458-N464 VanDerWaalsContact CG1-O 3.31Å; V458-N464 WeakPolarHBondContact CG1-O 3.37Å; S462-N464 PolarHBondContact O-N 3.37Å; N464-T466 PolarHBondContact O-N 3.23Å; N464-R724 PolarHBondContact ND2-O 3.41Å; N464-G727 PolarHBondContact OD1-O 3.29Å; N464-C728 WeakPolarHBondContact OD1-CA 3.45Å; N464-C728 PolarHBondContact OD1-N 3.05Å | ||
| 465 | D | 61.6 | Low | 73.6 | Confident | 128 Ų | 128 | 41.8 Ų | 41.8 | 68% | 0.684 | 26% | 0.257 | S | S | * | . | trans | -63.5 | 23.8 | 166.1 | -68.8 | -33.7 | 0 | 0 | 0 | 113.1 | Y467 | D465-Y467 VanDerWaalsContact O-CD2 3.28Å; D465-Y467 WeakPolarHBondContact O-CD2 3.38Å; D465-Y467 WeakPolarHBondContact O-CE2 3.39Å; D465-Y467 PolarHBondContact O-N 2.95Å | ||
| 466 | T | 71.2 | Confident | 74.5 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | trans | -92.2 | 106.4 | -178.9 | -44.7 | 0 | 0 | 0 | 0 | 109.6 | N464 Y720 C723 R724 | N464-T466 PolarHBondContact O-N 3.23Å; T466-Y720 HydrophobicContact CG2-CD2 3.77Å; T466-Y720 HydrophobicContact CG2-CE2 3.77Å; T466-C723 HydrophobicContact CG2-CB 3.9Å; T466-C723 PolarHBondContact OG1-O 3.22Å; T466-R724 HydrophobicContact CG2-CB 4.07Å | ||
| 467 | Y | 83.5 | Confident | 75.5 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | trans | -85.2 | 144.1 | 178.6 | -57.7 | -82.3 | 0 | 0 | 0 | 111.3 | N386 A387 Y390 K455 V458 D465 Y469 Y720 | N386-Y467 HydrophobicContact CB-CD2 4.18Å; A387-Y467 HydrophobicContact CB-CE2 4.22Å; Y390-Y467 HydrophobicContact CD2-CD1 4.3Å; Y390-Y467 HydrophobicContact CD2-CE1 4.13Å; Y390-Y467 AromaticContact CE2-CD1 3.19Å; Y390-Y467 HydrophobicContact CE2-CD1 3.19Å; Y390-Y467 HydrophobicContact CE2-CD2 4.1Å; Y390-Y467 AromaticContact CE2-CE1 3.36Å; Y390-Y467 HydrophobicContact CE2-CE1 3.36Å; Y390-Y467 HydrophobicContact CE2-CE2 4.27Å; Y390-Y467 AromaticContact CE2-CG 3.54Å; Y390-Y467 HydrophobicContact CE2-CG 3.54Å; Y390-Y467 AromaticContact CE2-CZ 3.9Å; Y390-Y467 AromaticContact CZ-CD1 3.55Å; Y390-Y467 AromaticContact CZ-CE1 3.84Å; Y390-Y467 WeakPolarHBondContact OH-CD1 3.27Å; K455-Y467 HydrophobicContact CG-CE1 4.32Å; V458-Y467 HydrophobicContact CG1-CE1 4.39Å; V458-Y467 HydrophobicContact CG2-CD1 4.49Å; D465-Y467 VanDerWaalsContact O-CD2 3.28Å; D465-Y467 WeakPolarHBondContact O-CD2 3.38Å; D465-Y467 WeakPolarHBondContact O-CE2 3.39Å; D465-Y467 PolarHBondContact O-N 2.95Å; Y467-Y469 PolarHBondContact O-N 3.18Å; Y467-Y720 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y720 WeakPolarHBondContact O-CE2 3.29Å | ||
| 468 | S | 90.5 | Very high | 76.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -81.1 | -11.2 | -173.2 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | D454 M511 N512 Y720 | D454-S468 VanDerWaalsContact CG-CB 3.41Å; D454-S468 VanDerWaalsContact CG-OG 3.26Å; D454-S468 WeakPolarHBondContact OD1-CB 3.19Å; D454-S468 PolarHBondContact OD1-OG 2.96Å; D454-S468 VanDerWaalsContact OD2-CB 3.3Å; D454-S468 WeakPolarHBondContact OD2-CB 3.41Å; D454-S468 PolarHBondContact OD2-N 3.22Å; D454-S468 PolarHBondContact OD2-OG 3.2Å; S468-M511 WeakPolarHBondContact O-CB 3.42Å; S468-M511 PolarHBondContact O-N 3.07Å; S468-N512 VanDerWaalsContact CB-CB 3.48Å; S468-N512 VanDerWaalsContact OG-CB 3.23Å; S468-N512 WeakPolarHBondContact OG-CB 3.5Å; S468-N512 PolarHBondContact OG-ND2 3.2Å; S468-N512 VanDerWaalsContact OG-ND2 3.08Å; S468-Y720 PolarHBondContact OG-OH 3.08Å |
| 469 | Y | 94.8 | Very high | 76.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 147.8 | -174.9 | -79.8 | -90.2 | 0 | 0 | 0 | 113.4 | V318 V389 Y450 V451 D454 Y467 F508 W509 C510 L515 | V318-Y469 WeakPolarHBondContact O-CE1 3.24Å; V318-Y469 PolarHBondContact O-OH 3.45Å; V318-Y469 VanDerWaalsContact O-OH 3.04Å; V389-Y469 WeakPolarHBondContact CG2-O 3.45Å; Y450-Y469 WeakPolarHBondContact CB-OH 3.44Å; V451-Y469 HydrophobicContact CB-CD2 4.26Å; V451-Y469 HydrophobicContact CB-CG 4.49Å; V451-Y469 HydrophobicContact CG2-CD1 3.68Å; V451-Y469 HydrophobicContact CG2-CD2 3.73Å; V451-Y469 HydrophobicContact CG2-CE1 3.99Å; V451-Y469 HydrophobicContact CG2-CE2 4.03Å; V451-Y469 HydrophobicContact CG2-CG 3.55Å; D454-Y469 HydrophobicContact CB-CD2 4.43Å; D454-Y469 HydrophobicContact CB-CE2 4.47Å; Y467-Y469 PolarHBondContact O-N 3.18Å; Y469-F508 HydrophobicContact CD1-CB 4.46Å; Y469-W509 WeakPolarHBondContact CA-O 3.21Å; Y469-C510 HydrophobicContact CD1-CB 4.23Å; Y469-C510 HydrophobicContact CE1-CB 3.62Å; Y469-L515 HydrophobicContact CD2-CD1 4.33Å; Y469-L515 HydrophobicContact CE2-CD1 3.47Å; Y469-L515 VanDerWaalsContact CE2-CD1 3.47Å |
| 470 | C | 95.8 | Very high | 76.5 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.9 | 162.7 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | W384 H385 W509 M511 L716 | W384-C470 CarbonylContact O-C 3.6Å; W384-C470 WeakPolarHBondContact O-CA 3.36Å; H385-C470 HydrophobicContact CB-CB 4.5Å; C470-W509 PolarHBondContact N-O 2.87Å; C470-W509 PolarHBondContact O-N 3.48Å; C470-M511 HydrophobicContact CB-CE 4.07Å; C470-L716 HydrophobicContact CB-CD1 4.36Å |
| 471 | L | 97.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.3 | 168.2 | -63.7 | 177.7 | 0 | 0 | 0 | 108.7 | I383 W384 V389 M392 L393 M396 H507 F508 | I383-L471 CarbonylContact C-O 3.56Å; I383-L471 VanDerWaalsContact CA-O 3.29Å; I383-L471 WeakPolarHBondContact CA-O 3.34Å; W384-L471 HydrophobicContact CB-CB 4.44Å; W384-L471 HydrophobicContact CE3-CB 4.3Å; W384-L471 PolarHBondContact N-O 3.19Å; W384-L471 PolarHBondContact O-N 2.73Å; V389-L471 HydrophobicContact CB-CD1 4.41Å; V389-L471 HydrophobicContact CB-CG 4.43Å; V389-L471 HydrophobicContact CG1-CD1 3.95Å; V389-L471 HydrophobicContact CG1-CD2 4.49Å; V389-L471 HydrophobicContact CG1-CG 3.89Å; V389-L471 HydrophobicContact CG2-CG 4.21Å; M392-L471 HydrophobicContact CB-CD1 4.13Å; L393-L471 HydrophobicContact CD2-CD1 4.18Å; L393-L471 HydrophobicContact CG-CD1 4.21Å; M396-L471 HydrophobicContact CE-CD1 4.11Å; L471-H507 WeakPolarHBondContact CA-O 3.46Å; L471-F508 HydrophobicContact CD2-CD1 3.39Å; L471-F508 HydrophobicContact CD2-CE1 3.68Å; L471-F508 HydrophobicContact CD2-CG 3.97Å; L471-F508 HydrophobicContact CD2-CZ 4.44Å |
| 472 | C | 97.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 119.9 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | R382 I383 H507 W509 | R382-C472 CarbonylContact O-C 3.57Å; R382-C472 WeakPolarHBondContact O-CA 3.42Å; I383-C472 HydrophobicContact CG1-CB 4.02Å; C472-H507 HydrophobicContact CB-CB 4.23Å; C472-H507 PolarHBondContact N-O 3.11Å; C472-H507 PolarHBondContact O-CD2 2.83Å; C472-H507 PolarHBondContact O-N 3.14Å; C472-W509 HydrophobicContact CB-CD2 4.06Å; C472-W509 HydrophobicContact CB-CE3 3.88Å; C472-W509 HydrophobicContact CB-CH2 3.43Å; C472-W509 VanDerWaalsContact CB-CH2 3.43Å; C472-W509 HydrophobicContact CB-CZ2 3.6Å; C472-W509 HydrophobicContact CB-CZ3 3.57Å; C472-W509 WeakPolarHBondContact SG-CH2 3.38Å |
| 473 | L | 97.5 | Very high | 76.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115 | 164.9 | -179 | 63.1 | 0 | 0 | 0 | 107.5 | W362 I363 E366 A367 M372 T381 R382 W384 Y505 | W362-L473 HydrophobicContact CH2-CD2 4.37Å; W362-L473 HydrophobicContact CZ3-CD1 4.44Å; W362-L473 HydrophobicContact CZ3-CD2 4.19Å; I363-L473 HydrophobicContact CG1-CD1 4.34Å; I363-L473 HydrophobicContact CG2-CD1 4.15Å; E366-L473 HydrophobicContact CB-CD2 3.63Å; A367-L473 HydrophobicContact CB-CD1 4.49Å; A367-L473 HydrophobicContact CB-CD2 4Å; A367-L473 HydrophobicContact CB-CG 4.43Å; M372-L473 HydrophobicContact CE-CG 4.12Å; M372-L473 WeakPolarHBondContact CE-O 3.45Å; T381-L473 CarbonylContact C-O 3.59Å; T381-L473 VanDerWaalsContact CA-O 3.28Å; T381-L473 WeakPolarHBondContact CA-O 3.23Å; R382-L473 PolarHBondContact N-O 3.2Å; R382-L473 PolarHBondContact O-N 2.88Å; W384-L473 HydrophobicContact CH2-CB 4Å; W384-L473 HydrophobicContact CH2-CD2 4.19Å; W384-L473 HydrophobicContact CZ3-CB 3.65Å; L473-Y505 CarbonylContact C-O 3.46Å; L473-Y505 WeakPolarHBondContact CA-O 3.49Å; L473-Y505 WeakPolarHBondContact CD1-O 3.47Å |
| 474 | E | 96.2 | Very high | 75.9 | Confident | 37 Ų | 37 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.4 | 180 | -178.1 | -174.3 | -115.9 | 0 | 0 | 109.3 | Y380 T381 C476 D504 Y505 H507 | Y380-E474 CarbonylContact O-C 3.49Å; Y380-E474 WeakPolarHBondContact O-CA 3.39Å; T381-E474 HydrophobicContact CG2-CB 4.43Å; T381-E474 HydrophobicContact CG2-CG 4.27Å; E474-C476 HydrophobicContact CG-CB 4.48Å; E474-D504 CarbonylContact O-C 3.53Å; E474-D504 WeakPolarHBondContact O-CA 3.35Å; E474-Y505 PolarHBondContact N-O 2.93Å; E474-Y505 PolarHBondContact O-N 3.5Å; E474-H507 WeakPolarHBondContact CB-NE2 3.26Å; E474-H507 IonicContact OE2-CE1 2.66Å; E474-H507 IonicContact OE2-NE2 3.54Å; E474-H507 PolarHBondContact OE2-NE2 2.98Å |
| 475 | K | 95.2 | Very high | 74.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 108.5 | 172.3 | -178.6 | 177.4 | -157.7 | 80.6 | 0 | 108 | V369 M372 Y380 F502 D504 | V369-K475 HydrophobicContact CG2-CD 3.72Å; M372-K475 HydrophobicContact CE-CB 4.04Å; M372-K475 HydrophobicContact SD-CB 4.04Å; Y380-K475 PolarHBondContact N-O 2.92Å; Y380-K475 PolarHBondContact O-N 3.26Å; K475-F502 HydrophobicContact CD-CB 4.5Å; K475-F502 HydrophobicContact CD-CD1 4.37Å; K475-F502 HydrophobicContact CG-CB 4.03Å; K475-F502 HydrophobicContact CG-CD1 3.79Å; K475-F502 HydrophobicContact CG-CG 4.2Å; K475-D504 VanDerWaalsContact CG-OD1 3.28Å; K475-D504 WeakPolarHBondContact CG-OD1 3.49Å; K475-D504 IonicContact NZ-OD1 3.38Å; K475-D504 PolarHBondContact NZ-OD1 3.33Å; K475-D504 IonicContact NZ-OD2 2.75Å; K475-D504 PolarHBondContact NZ-OD2 2.97Å |
| 476 | C | 91.9 | Very high | 73.2 | Confident | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.2 | -175.6 | 64 | 0 | 0 | 0 | 0 | 112.7 | G378 E474 F502 V503 | G378-C476 CarbonylContact O-C 3.56Å; G378-C476 WeakPolarHBondContact O-CA 3.5Å; E474-C476 HydrophobicContact CG-CB 4.48Å; C476-F502 WeakPolarHBondContact O-CA 3.39Å; C476-V503 PolarHBondContact N-O 3.39Å; C476-V503 VanDerWaalsContact N-O 3.09Å; C476-V503 PolarHBondContact O-N 2.66Å |
| 477 | S | 88.5 | Confident | 71.4 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.9 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | G378 S479 L480 | G378-S477 PolarHBondContact O-N 3.48Å; S477-S479 PolarHBondContact O-N 2.92Å; S477-S479 PolarHBondContact OG-OG 2.96Å; S477-L480 WeakPolarHBondContact O-CB 3.43Å; S477-L480 PolarHBondContact O-N 3.08Å |
| 478 | T | 77 | Confident | 68.7 | Low | 52 Ų | 52 | 60.2 Ų | 60.2 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.4 | -38.5 | 176.3 | 42.6 | 0 | 0 | 0 | 0 | 113.5 | L480 R481 D482 D501 V503 | T478-L480 PolarHBondContact O-N 3.4Å; T478-R481 PolarHBondContact O-N 2.72Å; T478-D482 PolarHBondContact O-N 3.32Å; T478-D482 VanDerWaalsContact O-N 3.16Å; T478-D501 WeakPolarHBondContact CB-O 3.47Å; T478-D501 HydrophobicContact CG2-CB 4.27Å; T478-D501 WeakPolarHBondContact CG2-O 3.48Å; T478-D501 PolarHBondContact N-O 3.1Å; T478-D501 PolarHBondContact OG1-O 3.01Å; T478-V503 HydrophobicContact CG2-CG2 3.84Å |
| 479 | S | 65 | Low | 65.8 | Low | 76 Ų | 76 | 65.1 Ų | 65.1 | 53% | 0.531 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -30.1 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | S477 | S477-S479 PolarHBondContact O-N 2.92Å; S477-S479 PolarHBondContact OG-OG 2.96Å |
| 480 | L | 55.1 | Low | 62.7 | Low | 63 Ų | 63 | 74.2 Ų | 74.2 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.2 | -35.1 | 176.8 | -69.6 | 169.1 | 0 | 0 | 0 | 111.2 | D379 S477 T478 S483 | D379-L480 HydrophobicContact CB-CD1 4.46Å; S477-L480 WeakPolarHBondContact O-CB 3.43Å; S477-L480 PolarHBondContact O-N 3.08Å; T478-L480 PolarHBondContact O-N 3.4Å; L480-S483 PolarHBondContact O-OG 3.33Å |
| 481 | R | 51.6 | Low | 59.4 | Low | 101 Ų | 101 | 85.4 Ų | 85.4 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -80.6 | -35.4 | -177.6 | -122.1 | -177.8 | -176.5 | -167.4 | 7.8 | 113.4 | T478 S483 L484 R485 Y505 | T478-R481 PolarHBondContact O-N 2.72Å; R481-S483 PolarHBondContact O-N 2.95Å; R481-L484 WeakPolarHBondContact O-CB 3.46Å; R481-L484 PolarHBondContact O-N 2.87Å; R481-R485 PolarHBondContact O-N 3.06Å; R481-Y505 PolarHBondContact NH1-OH 3.4Å |
| 482 | D | 47.8 | Very low | 56 | Low | 103 Ų | 103 | 93.3 Ų | 93.3 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -28.2 | 175.8 | -78.8 | -17.5 | 0 | 0 | 0 | 112.6 | T478 L484 R485 T486 | T478-D482 PolarHBondContact O-N 3.32Å; T478-D482 VanDerWaalsContact O-N 3.16Å; D482-L484 PolarHBondContact O-N 3.4Å; D482-R485 PolarHBondContact O-N 3Å; D482-T486 PolarHBondContact O-N 3.03Å; D482-T486 PolarHBondContact O-OG1 3.36Å |
| 483 | S | 42 | Very low | 52.8 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -18.2 | 172.6 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | L480 R481 | L480-S483 PolarHBondContact O-OG 3.33Å; R481-S483 PolarHBondContact O-N 2.95Å |
| 484 | L | 39.2 | Very low | 49.8 | Very low | 148 Ų | 148 | 109 Ų | 109 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -99.4 | -18.8 | 178.7 | -70.5 | 163.8 | 0 | 0 | 0 | 113.6 | R481 D482 | R481-L484 WeakPolarHBondContact O-CB 3.46Å; R481-L484 PolarHBondContact O-N 2.87Å; D482-L484 PolarHBondContact O-N 3.4Å |
| 485 | R | 32.6 | Very low | 46.5 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -113.2 | -7.7 | -172.8 | -75.7 | -170.5 | 171.1 | -170.9 | -2.4 | 116.3 | R481 D482 S487 | R481-R485 PolarHBondContact O-N 3.06Å; D482-R485 PolarHBondContact O-N 3Å; R485-S487 PolarHBondContact O-N 3.31Å |
| 486 | T | 28.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 118 Ų | 118 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -81.4 | 82 | -177.4 | 37.2 | 0 | 0 | 0 | 0 | 113.1 | D482 | D482-T486 PolarHBondContact O-N 3.03Å; D482-T486 PolarHBondContact O-OG1 3.36Å | ||
| 487 | S | 31.8 | Very low | 40.4 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -123.1 | 130.4 | 141.4 | 68.1 | 0 | 0 | 0 | 0 | 108.1 | R485 | R485-S487 PolarHBondContact O-N 3.31Š|
| 488 | S | 28.6 | Very low | 38 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 68.7 | 78.7 | 175.6 | 48.9 | 0 | 0 | 0 | 0 | 118 | ||
| 489 | A | 29.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -178.2 | 94.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 490 | E | 28.4 | Very low | 35.5 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -74.2 | 152.8 | 166.6 | -74.2 | 178.2 | 141.3 | 0 | 0 | 110.4 | ||||
| 491 | W | 27.3 | Very low | 36.8 | Very low | 242 Ų | 242 | 138.9 Ų | 138.9 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | trans | 85.6 | 73.5 | 152.9 | -123.8 | 74.4 | 0 | 0 | 0 | 117.7 | ||||
| 492 | L | 26.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -154.3 | 126.6 | 131 | -93.8 | 173.8 | 0 | 0 | 0 | 110.7 | ||
| 493 | S | 28.7 | Very low | 40.8 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 53.6 | 83 | 168.8 | 75.3 | 0 | 0 | 0 | 0 | 120.7 | S495 | S493-S495 PolarHBondContact O-N 3.31Š| ||
| 494 | K | 35 | Very low | 43.4 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 95% | 0.948 | 68% | 0.68 | S | S | * | * | trans | -78.3 | 82 | 148.4 | -79.3 | 177.4 | 175.7 | 170.8 | 0 | 109.5 | ||||
| 495 | S | 27.4 | Very low | 46.1 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | 170.5 | 84.4 | 157.7 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | S493 | S493-S495 PolarHBondContact O-N 3.31Š| ||
| 496 | M | 28.1 | Very low | 49.2 | Very low | 163 Ų | 163 | 115.4 Ų | 115.4 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 177 | 131.5 | 134.4 | -123.2 | 171.9 | -89.5 | 0 | 0 | 109.4 | ||
| 497 | F | 31.6 | Very low | 52.5 | Low | 182 Ų | 182 | 110 Ų | 110 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | trans | 65.4 | 99.5 | 174.9 | -70 | -86.6 | 0 | 0 | 0 | 118.2 | S499 | F497-S499 PolarHBondContact O-N 3.48Å; F497-S499 VanDerWaalsContact O-N 3.1Å | ||
| 498 | K | 36.3 | Very low | 55.6 | Low | 218 Ų | 218 | 105.3 Ų | 105.3 | 95% | 0.948 | 55% | 0.549 | S | S | * | . | trans | -72.7 | 74.2 | 148.5 | -75 | 178.8 | 175.2 | 178.3 | 0 | 108.2 | ||||
| 499 | S | 39.9 | Very low | 58.9 | Low | 58 Ų | 58 | 100.1 Ų | 100.1 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | trans | -78.2 | 123.9 | 154.7 | 45.5 | 0 | 0 | 0 | 0 | 106.6 | F497 D501 | F497-S499 PolarHBondContact O-N 3.48Å; F497-S499 VanDerWaalsContact O-N 3.1Å; S499-D501 WeakPolarHBondContact CB-OD1 3.28Å; S499-D501 PolarHBondContact O-N 3.26Å; S499-D501 VanDerWaalsContact OG-CG 3.27Å; S499-D501 PolarHBondContact OG-OD1 3.4Å; S499-D501 PolarHBondContact OG-OD2 3.41Å | ||
| 500 | T | 51.2 | Low | 62.1 | Low | 104 Ų | 104 | 95.3 Ų | 95.3 | 64% | 0.638 | 47% | 0.471 | S | S | * | . | trans | -70.6 | 78.6 | 161.6 | 43.1 | 0 | 0 | 0 | 0 | 106.8 | F502 | T500-F502 WeakPolarHBondContact O-CD2 3.39Å; T500-F502 PolarHBondContact O-N 3.43Å | ||
| 501 | D | 82.5 | Confident | 65.3 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | trans | -73.6 | 119.1 | 176.4 | -70.5 | -34.7 | 0 | 0 | 0 | 107.8 | T478 S499 | T478-D501 WeakPolarHBondContact CB-O 3.47Å; T478-D501 HydrophobicContact CG2-CB 4.27Å; T478-D501 WeakPolarHBondContact CG2-O 3.48Å; T478-D501 PolarHBondContact N-O 3.1Å; T478-D501 PolarHBondContact OG1-O 3.01Å; S499-D501 WeakPolarHBondContact CB-OD1 3.28Å; S499-D501 PolarHBondContact O-N 3.26Å; S499-D501 VanDerWaalsContact OG-CG 3.27Å; S499-D501 PolarHBondContact OG-OD1 3.4Å; S499-D501 PolarHBondContact OG-OD2 3.41Å | ||
| 502 | F | 89 | Confident | 68.4 | Low | 73 Ų | 73 | 75.4 Ų | 75.4 | 32% | 0.32 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141.2 | 170.8 | -77.1 | -89 | 0 | 0 | 0 | 108.6 | Y380 K475 C476 T500 | Y380-F502 HydrophobicContact CD2-CE1 4.29Å; Y380-F502 AromaticContact CE2-CE1 3.9Å; Y380-F502 HydrophobicContact CE2-CE1 3.9Å; Y380-F502 HydrophobicContact CE2-CZ 4.34Å; K475-F502 HydrophobicContact CD-CB 4.5Å; K475-F502 HydrophobicContact CD-CD1 4.37Å; K475-F502 HydrophobicContact CG-CB 4.03Å; K475-F502 HydrophobicContact CG-CD1 3.79Å; K475-F502 HydrophobicContact CG-CG 4.2Å; C476-F502 WeakPolarHBondContact O-CA 3.39Å; T500-F502 WeakPolarHBondContact O-CD2 3.39Å; T500-F502 PolarHBondContact O-N 3.43Å |
| 503 | V | 93.1 | Very high | 71.6 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.3 | 171.2 | -173 | 0 | 0 | 0 | 0 | 108.8 | C476 T478 Y505 | C476-V503 PolarHBondContact N-O 3.39Å; C476-V503 VanDerWaalsContact N-O 3.09Å; C476-V503 PolarHBondContact O-N 2.66Å; T478-V503 HydrophobicContact CG2-CG2 3.84Å; V503-Y505 HydrophobicContact CB-CD2 4.42Å; V503-Y505 HydrophobicContact CB-CE2 3.65Å; V503-Y505 HydrophobicContact CG1-CD2 4.07Å; V503-Y505 HydrophobicContact CG1-CE1 4.28Å; V503-Y505 HydrophobicContact CG1-CE2 3.37Å; V503-Y505 VanDerWaalsContact CG1-CZ 3.48Å |
| 504 | D | 96.3 | Very high | 74.7 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127 | 177.2 | -56.4 | -43 | 0 | 0 | 0 | 109.5 | S323 K324 I363 E474 K475 | S323-D504 WeakPolarHBondContact CA-O 3.28Å; K324-D504 HydrophobicContact CB-CB 4.14Å; K324-D504 HydrophobicContact CD-CB 4.45Å; K324-D504 PolarHBondContact N-O 3.33Å; I363-D504 HydrophobicContact CG2-CB 3.76Å; E474-D504 CarbonylContact O-C 3.53Å; E474-D504 WeakPolarHBondContact O-CA 3.35Å; K475-D504 VanDerWaalsContact CG-OD1 3.28Å; K475-D504 WeakPolarHBondContact CG-OD1 3.49Å; K475-D504 IonicContact NZ-OD1 3.38Å; K475-D504 PolarHBondContact NZ-OD1 3.33Å; K475-D504 IonicContact NZ-OD2 2.75Å; K475-D504 PolarHBondContact NZ-OD2 2.97Å |
| 505 | Y | 96.8 | Very high | 77.4 | Confident | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.2 | 177.4 | -65.6 | -89.8 | 0 | 0 | 0 | 111.1 | L322 L473 E474 R481 V503 H507 | L322-Y505 CarbonylContact O-C 3.54Å; L322-Y505 WeakPolarHBondContact O-CA 3.31Å; L473-Y505 CarbonylContact C-O 3.46Å; L473-Y505 WeakPolarHBondContact CA-O 3.49Å; L473-Y505 WeakPolarHBondContact CD1-O 3.47Å; E474-Y505 PolarHBondContact N-O 2.93Å; E474-Y505 PolarHBondContact O-N 3.5Å; R481-Y505 PolarHBondContact NH1-OH 3.4Å; V503-Y505 HydrophobicContact CB-CD2 4.42Å; V503-Y505 HydrophobicContact CB-CE2 3.65Å; V503-Y505 HydrophobicContact CG1-CD2 4.07Å; V503-Y505 HydrophobicContact CG1-CE1 4.28Å; V503-Y505 HydrophobicContact CG1-CE2 3.37Å; V503-Y505 VanDerWaalsContact CG1-CZ 3.48Å; Y505-H507 VanDerWaalsContact CB-NE2 3.34Å; Y505-H507 WeakPolarHBondContact CB-NE2 3.45Å |
| 506 | L | 97.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.8 | 163 | 179.3 | 63.7 | 0 | 0 | 0 | 109.2 | S321 L322 L359 W362 I363 M396 F508 | S321-L506 WeakPolarHBondContact CA-O 3.35Å; L322-L506 PolarHBondContact N-O 2.69Å; L322-L506 PolarHBondContact O-N 2.97Å; L359-L506 HydrophobicContact CD1-CD2 3.67Å; W362-L506 HydrophobicContact CZ3-CD1 4.34Å; I363-L506 HydrophobicContact CD1-CB 4.36Å; M396-L506 HydrophobicContact CE-CD2 4.43Å; M396-L506 HydrophobicContact SD-CD2 4.35Å; L506-F508 HydrophobicContact CD2-CE2 3.8Å; L506-F508 HydrophobicContact CD2-CZ 3.77Å; L506-F508 HydrophobicContact CG-CE2 3.91Å; L506-F508 HydrophobicContact CG-CZ 4.29Å |
| 507 | H | 97.6 | Very high | 83.8 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139 | 176.2 | -48.4 | -83.8 | 0 | 0 | 0 | 111.9 | F320 S321 L471 C472 E474 Y505 W509 | F320-H507 CarbonylContact O-C 3.51Å; F320-H507 WeakPolarHBondContact O-CA 3.29Å; S321-H507 WeakPolarHBondContact CB-ND1 3.35Å; S321-H507 PolarHBondContact OG-ND1 3.35Å; L471-H507 WeakPolarHBondContact CA-O 3.46Å; C472-H507 HydrophobicContact CB-CB 4.23Å; C472-H507 PolarHBondContact N-O 3.11Å; C472-H507 PolarHBondContact O-CD2 2.83Å; C472-H507 PolarHBondContact O-N 3.14Å; E474-H507 WeakPolarHBondContact CB-NE2 3.26Å; E474-H507 IonicContact OE2-CE1 2.66Å; E474-H507 IonicContact OE2-NE2 3.54Å; E474-H507 PolarHBondContact OE2-NE2 2.98Å; Y505-H507 VanDerWaalsContact CB-NE2 3.34Å; Y505-H507 WeakPolarHBondContact CB-NE2 3.45Å; H507-W509 HydrophobicContact CB-CD2 4.46Å; H507-W509 HydrophobicContact CB-CG 4.38Å; H507-W509 HydrophobicContact CB-CZ2 4.3Å; H507-W509 AromaticContact CG-NE1 3.59Å |
| 508 | F | 97.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 96.8 | 170.4 | -59.7 | -104.2 | 0 | 0 | 0 | 106.9 | S319 F320 L322 L393 L444 A447 L448 V451 Y469 L471 L506 | S319-F508 CarbonylContact C-O 3.6Å; S319-F508 WeakPolarHBondContact CA-O 3.33Å; S319-F508 WeakPolarHBondContact CB-O 3.03Å; F320-F508 HydrophobicContact CB-CB 4.36Å; F320-F508 HydrophobicContact CB-CD2 4.32Å; F320-F508 PolarHBondContact N-O 3.15Å; F320-F508 PolarHBondContact O-N 2.97Å; L322-F508 HydrophobicContact CD1-CE2 4.38Å; L393-F508 HydrophobicContact CD2-CE1 3.91Å; L444-F508 HydrophobicContact CD1-CZ 4.18Å; A447-F508 HydrophobicContact CB-CB 4.31Å; A447-F508 HydrophobicContact CB-CD1 3.96Å; A447-F508 HydrophobicContact CB-CD2 3.97Å; A447-F508 HydrophobicContact CB-CE1 4.22Å; A447-F508 HydrophobicContact CB-CE2 4.27Å; A447-F508 HydrophobicContact CB-CG 3.83Å; A447-F508 HydrophobicContact CB-CZ 4.38Å; L448-F508 HydrophobicContact CD2-CE1 4.26Å; V451-F508 HydrophobicContact CG2-CD1 4.24Å; Y469-F508 HydrophobicContact CD1-CB 4.46Å; L471-F508 HydrophobicContact CD2-CD1 3.39Å; L471-F508 HydrophobicContact CD2-CE1 3.68Å; L471-F508 HydrophobicContact CD2-CG 3.97Å; L471-F508 HydrophobicContact CD2-CZ 4.44Å; L506-F508 HydrophobicContact CD2-CE2 3.8Å; L506-F508 HydrophobicContact CD2-CZ 3.77Å; L506-F508 HydrophobicContact CG-CE2 3.91Å; L506-F508 HydrophobicContact CG-CZ 4.29Å |
| 509 | W | 97.5 | Very high | 89.2 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.8 | -177.4 | -65 | -21.2 | 0 | 0 | 0 | 111.1 | I383 Y469 C470 C472 H507 M511 V712 R713 L716 | I383-W509 HydrophobicContact CD1-CZ3 4.37Å; Y469-W509 WeakPolarHBondContact CA-O 3.21Å; C470-W509 PolarHBondContact N-O 2.87Å; C470-W509 PolarHBondContact O-N 3.48Å; C472-W509 HydrophobicContact CB-CD2 4.06Å; C472-W509 HydrophobicContact CB-CE3 3.88Å; C472-W509 HydrophobicContact CB-CH2 3.43Å; C472-W509 VanDerWaalsContact CB-CH2 3.43Å; C472-W509 HydrophobicContact CB-CZ2 3.6Å; C472-W509 HydrophobicContact CB-CZ3 3.57Å; C472-W509 WeakPolarHBondContact SG-CH2 3.38Å; H507-W509 HydrophobicContact CB-CD2 4.46Å; H507-W509 HydrophobicContact CB-CG 4.38Å; H507-W509 HydrophobicContact CB-CZ2 4.3Å; H507-W509 AromaticContact CG-NE1 3.59Å; W509-M511 HydrophobicContact CB-CE 3.59Å; W509-M511 HydrophobicContact CE3-CE 4.45Å; W509-V712 HydrophobicContact CZ3-CG1 4.26Å; W509-R713 HydrophobicContact CD2-CG 4.2Å; W509-R713 HydrophobicContact CE3-CG 3.99Å; W509-R713 HydrophobicContact CH2-CG 4.1Å; W509-R713 HydrophobicContact CZ2-CG 4.32Å; W509-R713 HydrophobicContact CZ3-CG 3.93Å; W509-L716 HydrophobicContact CE3-CD1 3.86Å; W509-L716 HydrophobicContact CZ3-CD1 3.8Å |
| 510 | C | 96 | Very high | 91.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.6 | 174 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | R315 V318 S319 Y469 N512 | R315-C510 WeakPolarHBondContact CB-O 3.4Å; R315-C510 VanDerWaalsContact CD-O 3.31Å; R315-C510 WeakPolarHBondContact CD-O 3.39Å; R315-C510 VanDerWaalsContact CG-O 3.27Å; R315-C510 WeakPolarHBondContact CG-O 3.36Å; V318-C510 HydrophobicContact CG2-CB 3.75Å; S319-C510 PolarHBondContact OG-N 2.95Å; Y469-C510 HydrophobicContact CD1-CB 4.23Å; Y469-C510 HydrophobicContact CE1-CB 3.62Å; C510-N512 PolarHBondContact SG-N 3.18Å; C510-N512 VanDerWaalsContact SG-N 3.43Å; C510-N512 PolarHBondContact SG-O 3.2Å |
| 511 | M | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.034 | 10% | 0.1 | C | C | . | . | trans | -94.1 | -10.5 | 176.3 | -58.2 | -58.8 | 149 | 0 | 0 | 113.1 | S468 C470 W509 L716 K717 Y720 | S468-M511 WeakPolarHBondContact O-CB 3.42Å; S468-M511 PolarHBondContact O-N 3.07Å; C470-M511 HydrophobicContact CB-CE 4.07Å; W509-M511 HydrophobicContact CB-CE 3.59Å; W509-M511 HydrophobicContact CE3-CE 4.45Å; M511-L716 HydrophobicContact CE-CB 4.16Å; M511-L716 HydrophobicContact CE-CD1 4.45Å; M511-L716 HydrophobicContact SD-CB 4.41Å; M511-K717 HydrophobicContact CB-CD 4.28Å; M511-K717 WeakPolarHBondContact O-CD 3.46Å; M511-K717 WeakPolarHBondContact O-CE 3.43Å; M511-K717 PolarHBondContact O-NZ 2.93Å; M511-K717 HydrophobicContact SD-CB 3.99Å; M511-Y720 HydrophobicContact CB-CD1 3.66Å; M511-Y720 HydrophobicContact CB-CD2 3.97Å; M511-Y720 HydrophobicContact CB-CE1 4.12Å; M511-Y720 HydrophobicContact CB-CE2 4.4Å; M511-Y720 HydrophobicContact CB-CG 3.58Å; M511-Y720 HydrophobicContact CG-CG 4.26Å | ||
| 512 | N | 93.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.053 | 11% | 0.11 | C | C | . | . | trans | -118.3 | 99 | -171.1 | -172.4 | 12.2 | 0 | 0 | 0 | 112 | S468 C510 A514 L515 Y720 R724 | S468-N512 VanDerWaalsContact CB-CB 3.48Å; S468-N512 VanDerWaalsContact OG-CB 3.23Å; S468-N512 WeakPolarHBondContact OG-CB 3.5Å; S468-N512 PolarHBondContact OG-ND2 3.2Å; S468-N512 VanDerWaalsContact OG-ND2 3.08Å; C510-N512 PolarHBondContact SG-N 3.18Å; C510-N512 VanDerWaalsContact SG-N 3.43Å; C510-N512 PolarHBondContact SG-O 3.2Å; N512-A514 PolarHBondContact O-N 3.48Å; N512-A514 VanDerWaalsContact O-N 3.11Å; N512-A514 VanDerWaalsContact OD1-CB 3.27Å; N512-A514 WeakPolarHBondContact OD1-CB 3.25Å; N512-A514 PolarHBondContact OD1-N 2.99Å; N512-L515 HydrophobicContact CB-CG 4.43Å; N512-L515 PolarHBondContact O-N 3.36Å; N512-Y720 HydrophobicContact CB-CE1 4.42Å; N512-Y720 WeakPolarHBondContact CB-OH 3.42Å; N512-R724 PolarHBondContact OD1-NH1 3.45Å | ||
| 513 | P | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.6 | -178.3 | 23.8 | -28 | 0 | 0 | 0 | 113.7 | E311 C314 R315 L515 A516 F517 E543 L544 | E311-P513 HydrophobicContact CB-CG 4.29Å; E311-P513 WeakPolarHBondContact O-CB 3.4Å; C314-P513 HydrophobicContact CB-CB 3.44Å; C314-P513 VanDerWaalsContact CB-CB 3.44Å; C314-P513 WeakPolarHBondContact CB-O 3.47Å; R315-P513 HydrophobicContact CG-CB 4.11Å; R315-P513 HydrophobicContact CG-CG 4.4Å; P513-L515 PolarHBondContact O-N 3.32Å; P513-A516 PolarHBondContact O-N 3.48Å; P513-F517 PolarHBondContact O-N 2.86Å; P513-F517 VanDerWaalsContact O-N 3.11Å; P513-E543 HydrophobicContact CG-CB 4.23Å; P513-E543 WeakPolarHBondContact CG-O 3.39Å; P513-L544 HydrophobicContact CB-CD2 4.28Å |
| 514 | A | 92.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 21 Ų | 21 | 10% | 0.099 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.7 | -28.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | N512 A516 F517 N518 L544 | N512-A514 PolarHBondContact O-N 3.48Å; N512-A514 VanDerWaalsContact O-N 3.11Å; N512-A514 VanDerWaalsContact OD1-CB 3.27Å; N512-A514 WeakPolarHBondContact OD1-CB 3.25Å; N512-A514 PolarHBondContact OD1-N 2.99Å; A514-A516 PolarHBondContact O-N 2.97Å; A514-F517 PolarHBondContact O-N 2.88Å; A514-N518 WeakPolarHBondContact O-CB 3.39Å; A514-N518 PolarHBondContact O-N 2.74Å; A514-L544 WeakPolarHBondContact CA-O 3.21Å; A514-L544 WeakPolarHBondContact CB-O 3.21Å |
| 515 | L | 91.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | -179.5 | -66.7 | 179.7 | 0 | 0 | 0 | 112.3 | V318 Y450 M453 D454 Y469 N512 P513 | V318-L515 HydrophobicContact CG2-CB 4.46Å; Y450-L515 HydrophobicContact CD1-CB 4.32Å; M453-L515 HydrophobicContact CE-CD2 3.99Å; D454-L515 HydrophobicContact CB-CD1 4.11Å; D454-L515 HydrophobicContact CB-CD2 4.28Å; Y469-L515 HydrophobicContact CD2-CD1 4.33Å; Y469-L515 HydrophobicContact CE2-CD1 3.47Å; Y469-L515 VanDerWaalsContact CE2-CD1 3.47Å; N512-L515 HydrophobicContact CB-CG 4.43Å; N512-L515 PolarHBondContact O-N 3.36Å; P513-L515 PolarHBondContact O-N 3.32Å |
| 516 | A | 93.7 | Very high | 95 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -76 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C314 V318 P513 A514 N518 | C314-A516 HydrophobicContact CB-CB 3.97Å; C314-A516 WeakPolarHBondContact O-CB 3.49Å; V318-A516 HydrophobicContact CG1-CB 3.75Å; V318-A516 HydrophobicContact CG2-CB 4.2Å; P513-A516 PolarHBondContact O-N 3.48Å; A514-A516 PolarHBondContact O-N 2.97Å; A516-N518 PolarHBondContact O-N 2.74Å |
| 517 | F | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.5 | -33.4 | -172.1 | -164.9 | -102.7 | 0 | 0 | 0 | 113.7 | L285 I310 P513 A514 D519 V520 S521 V527 L529 L544 V546 F548 | L285-F517 HydrophobicContact CD2-CD2 3.89Å; L285-F517 HydrophobicContact CD2-CE2 4.42Å; I310-F517 HydrophobicContact CD1-CD2 4.04Å; I310-F517 HydrophobicContact CD1-CE2 3.62Å; P513-F517 PolarHBondContact O-N 2.86Å; P513-F517 VanDerWaalsContact O-N 3.11Å; A514-F517 PolarHBondContact O-N 2.88Å; F517-D519 VanDerWaalsContact C-N 3.29Å; F517-D519 PolarHBondContact O-N 3.16Å; F517-V520 PolarHBondContact O-N 3.24Å; F517-S521 WeakPolarHBondContact O-CB 3.41Å; F517-S521 PolarHBondContact O-N 3.11Å; F517-V527 HydrophobicContact CE2-CG1 4.34Å; F517-V527 HydrophobicContact CZ-CB 4.5Å; F517-V527 HydrophobicContact CZ-CG1 3.83Å; F517-L529 HydrophobicContact CE2-CD1 4.15Å; F517-L529 HydrophobicContact CE2-CD2 4.24Å; F517-L529 HydrophobicContact CZ-CD1 3.74Å; F517-L529 HydrophobicContact CZ-CD2 4.2Å; F517-L529 HydrophobicContact CZ-CG 4.33Å; F517-L544 HydrophobicContact CB-CD2 4.27Å; F517-L544 HydrophobicContact CD1-CB 3.87Å; F517-L544 HydrophobicContact CD1-CD1 4.28Å; F517-L544 HydrophobicContact CD1-CG 4.45Å; F517-L544 HydrophobicContact CD2-CD2 4.39Å; F517-L544 HydrophobicContact CE1-CB 4.33Å; F517-L544 HydrophobicContact CE1-CD1 4.13Å; F517-L544 HydrophobicContact CE2-CD1 4.44Å; F517-L544 HydrophobicContact CG-CB 4.29Å; F517-L544 HydrophobicContact CG-CD1 4.48Å; F517-L544 HydrophobicContact CG-CD2 4.13Å; F517-L544 HydrophobicContact CZ-CD1 4.22Å; F517-V546 HydrophobicContact CD1-CG1 4.33Å; F517-V546 HydrophobicContact CD1-CG2 3.6Å; F517-V546 HydrophobicContact CE1-CG2 3.43Å; F517-V546 VanDerWaalsContact CE1-CG2 3.43Å; F517-F548 HydrophobicContact CE1-CE2 4.34Å; F517-F548 AromaticContact CE1-CZ 3.64Å; F517-F548 HydrophobicContact CE1-CZ 3.64Å; F517-F548 AromaticContact CZ-CZ 3.94Å; F517-F548 HydrophobicContact CZ-CZ 3.94Å |
| 518 | N | 92.9 | Very high | 95 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 27% | 0.267 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -61.8 | -37.6 | -178.4 | -173.9 | 39.2 | 0 | 0 | 0 | 112.2 | A514 A516 S521 K522 V546 | A514-N518 WeakPolarHBondContact O-CB 3.39Å; A514-N518 PolarHBondContact O-N 2.74Å; A516-N518 PolarHBondContact O-N 2.74Å; N518-S521 PolarHBondContact O-N 3.31Å; N518-K522 WeakPolarHBondContact ND2-CE 3.39Å; N518-K522 PolarHBondContact ND2-NZ 3.09Å; N518-K522 VanDerWaalsContact O-CB 3.31Å; N518-K522 WeakPolarHBondContact O-CB 3.45Å; N518-K522 VanDerWaalsContact O-CG 3.29Å; N518-K522 WeakPolarHBondContact O-CG 3.35Å; N518-K522 PolarHBondContact O-N 2.94Å; N518-K522 VanDerWaalsContact OD1-CE 3.25Å; N518-K522 WeakPolarHBondContact OD1-CE 3.45Å; N518-V546 HydrophobicContact CB-CG1 4.42Å |
| 519 | D | 90.3 | Very high | 95 | Very high | 46 Ų | 46 | 19.8 Ų | 19.8 | 25% | 0.246 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 175.5 | 178.6 | -24.5 | 0 | 0 | 0 | 111.1 | R290 F517 S521 K522 S523 | R290-D519 IonicContact CZ-OD1 3.47Å; R290-D519 IonicContact CZ-OD2 3.54Å; R290-D519 IonicContact NH1-OD1 3.61Å; R290-D519 PolarHBondContact NH1-OD1 3.07Å; R290-D519 IonicContact NH1-OD2 3.21Å; R290-D519 IonicContact NH2-OD1 2.7Å; R290-D519 PolarHBondContact NH2-OD1 2.98Å; R290-D519 IonicContact NH2-OD2 2.83Å; R290-D519 PolarHBondContact NH2-OD2 3.09Å; F517-D519 VanDerWaalsContact C-N 3.29Å; F517-D519 PolarHBondContact O-N 3.16Å; D519-S521 PolarHBondContact O-N 3.47Å; D519-K522 PolarHBondContact O-N 3.05Å; D519-S523 WeakPolarHBondContact O-CB 3.45Å; D519-S523 PolarHBondContact O-N 3.42Å; D519-S523 PolarHBondContact O-OG 3.38Å |
| 520 | V | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L284 L285 L297 F517 K522 S523 A524 V527 | L284-V520 WeakPolarHBondContact O-CG2 3.26Å; L285-V520 HydrophobicContact CD2-CG2 3.98Å; L297-V520 HydrophobicContact CD1-CB 4.19Å; L297-V520 HydrophobicContact CD1-CG1 3.82Å; L297-V520 HydrophobicContact CD1-CG2 4.08Å; F517-V520 PolarHBondContact O-N 3.24Å; V520-K522 PolarHBondContact O-N 3.41Å; V520-S523 PolarHBondContact O-N 3.33Å; V520-A524 VanDerWaalsContact O-CB 3.25Å; V520-A524 WeakPolarHBondContact O-CB 3.45Å; V520-A524 PolarHBondContact O-N 3.18Å; V520-V527 HydrophobicContact CG1-CG2 4.46Å |
| 521 | S | 95.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 19 Ų | 19 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.7 | -33.5 | -178.2 | -179.2 | 0 | 0 | 0 | 0 | 113.7 | N35 F517 N518 D519 | N35-S521 PolarHBondContact ND2-OG 2.82Å; F517-S521 WeakPolarHBondContact O-CB 3.41Å; F517-S521 PolarHBondContact O-N 3.11Å; N518-S521 PolarHBondContact O-N 3.31Å; D519-S521 PolarHBondContact O-N 3.47Å |
| 522 | K | 93.5 | Very high | 94.5 | Very high | 158 Ų | 158 | 19.1 Ų | 19.1 | 69% | 0.687 | 10% | 0.104 | S | C | * | . | H | α-helix | trans | -77.4 | -35.8 | 178.6 | -77.8 | 178.2 | 171.9 | -176.1 | 0 | 112 | N518 D519 V520 | N518-K522 WeakPolarHBondContact ND2-CE 3.39Å; N518-K522 PolarHBondContact ND2-NZ 3.09Å; N518-K522 VanDerWaalsContact O-CB 3.31Å; N518-K522 WeakPolarHBondContact O-CB 3.45Å; N518-K522 VanDerWaalsContact O-CG 3.29Å; N518-K522 WeakPolarHBondContact O-CG 3.35Å; N518-K522 PolarHBondContact O-N 2.94Å; N518-K522 VanDerWaalsContact OD1-CE 3.25Å; N518-K522 WeakPolarHBondContact OD1-CE 3.45Å; D519-K522 PolarHBondContact O-N 3.05Å; V520-K522 PolarHBondContact O-N 3.41Å |
| 523 | S | 93.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 19.1 Ų | 19.1 | 34% | 0.336 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -76.4 | -38.9 | -178.4 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | L297 K298 N299 D519 V520 | L297-S523 CarbonylContact C-O 3.6Å; L297-S523 CarbonylContact O-C 3.55Å; K298-S523 WeakPolarHBondContact CA-O 3.48Å; N299-S523 PolarHBondContact N-O 3.16Å; D519-S523 WeakPolarHBondContact O-CB 3.45Å; D519-S523 PolarHBondContact O-N 3.42Å; D519-S523 PolarHBondContact O-OG 3.38Å; V520-S523 PolarHBondContact O-N 3.33Å |
| 524 | A | 96.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -74.5 | 151.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L297 V302 V520 V527 | L297-A524 WeakPolarHBondContact O-CA 3.44Å; V302-A524 HydrophobicContact CG2-CB 3.8Å; V520-A524 VanDerWaalsContact O-CB 3.25Å; V520-A524 WeakPolarHBondContact O-CB 3.45Å; V520-A524 PolarHBondContact O-N 3.18Å; A524-V527 HydrophobicContact CB-CG2 3.9Å |
| 525 | R | 95.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 18.9 Ų | 18.9 | 10% | 0.098 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -64.8 | -44.4 | 170.1 | -179.2 | -170.2 | 178.6 | 84.6 | 4.1 | 111.7 | L30 R33 W57 N299 S300 | L30-R525 PolarHBondContact O-NE 2.76Å; L30-R525 PolarHBondContact O-NH2 3.09Å; R33-R525 CarbonylContact C-O 3.59Å; R33-R525 WeakPolarHBondContact CA-O 3.35Å; R33-R525 HydrophobicContact CB-CG 4.29Å; R33-R525 HydrophobicContact CG-CG 3.89Å; R33-R525 VanDerWaalsContact CZ-NH1 3.3Å; W57-R525 VanDerWaalsContact CZ2-NE 3.33Å; N299-R525 PolarHBondContact OD1-NH1 2.96Å; S300-R525 VanDerWaalsContact O-CB 3.25Å; S300-R525 WeakPolarHBondContact O-CB 3.32Å; S300-R525 PolarHBondContact O-N 3.07Å |
| 526 | S | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 136.3 | -177.9 | -73.8 | 0 | 0 | 0 | 0 | 109.3 | A29 R33 K34 V302 | A29-S526 PolarHBondContact O-OG 2.7Å; R33-S526 WeakPolarHBondContact CA-OG 3.34Å; K34-S526 PolarHBondContact N-OG 3.5Å; K34-S526 PolarHBondContact O-OG 2.91Å; V302-S526 PolarHBondContact N-O 3.36Å |
| 527 | V | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.6 | 170.5 | -171.9 | 0 | 0 | 0 | 0 | 110 | N35 C36 V302 F517 V520 A524 L529 | N35-V527 CarbonylContact C-O 3.51Å; N35-V527 WeakPolarHBondContact CA-O 3.45Å; N35-V527 PolarHBondContact OD1-N 3.29Å; C36-V527 PolarHBondContact N-O 3.47Å; V302-V527 HydrophobicContact CB-CG1 4.38Å; V302-V527 HydrophobicContact CB-CG2 4.3Å; V302-V527 HydrophobicContact CG1-CG1 4.28Å; V302-V527 CarbonylContact O-C 3.51Å; V302-V527 WeakPolarHBondContact O-CA 3.27Å; F517-V527 HydrophobicContact CE2-CG1 4.34Å; F517-V527 HydrophobicContact CZ-CB 4.5Å; F517-V527 HydrophobicContact CZ-CG1 3.83Å; V520-V527 HydrophobicContact CG1-CG2 4.46Å; A524-V527 HydrophobicContact CB-CG2 3.9Å; V527-L529 HydrophobicContact CG1-CD2 3.67Å; V527-L529 HydrophobicContact CG1-CG 4.2Å |
| 528 | V | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.1 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V26 L30 C36 I38 L50 V302 I303 I304 | V26-V528 HydrophobicContact CG2-CG1 4.19Å; L30-V528 HydrophobicContact CD2-CG2 4.36Å; C36-V528 HydrophobicContact CB-CB 4.45Å; C36-V528 HydrophobicContact CB-CG1 4.25Å; C36-V528 HydrophobicContact CB-CG2 4.13Å; I38-V528 HydrophobicContact CD1-CG1 3.96Å; L50-V528 HydrophobicContact CD2-CG1 4.17Å; V302-V528 PolarHBondContact O-N 3.03Å; I303-V528 CarbonylContact C-O 3.59Å; I303-V528 WeakPolarHBondContact CA-O 3.25Å; I303-V528 HydrophobicContact CG1-CB 4.23Å; I303-V528 HydrophobicContact CG1-CG2 4.47Å; I304-V528 PolarHBondContact N-O 3.13Å |
| 529 | L | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.3 | 175.3 | -51.6 | -178.9 | 0 | 0 | 0 | 109.2 | C36 L37 I38 I304 A307 I310 F517 V527 Y540 L544 F548 | C36-L529 PolarHBondContact O-N 2.96Å; L37-L529 HydrophobicContact CD2-CB 3.82Å; L37-L529 HydrophobicContact CD2-CD1 3.87Å; L37-L529 HydrophobicContact CD2-CG 4.21Å; I38-L529 PolarHBondContact N-O 3.25Å; I304-L529 HydrophobicContact CB-CD2 3.7Å; I304-L529 HydrophobicContact CD1-CD2 3.7Å; I304-L529 HydrophobicContact CG1-CD2 3.93Å; I304-L529 HydrophobicContact CG2-CD2 4.48Å; A307-L529 HydrophobicContact CB-CB 3.96Å; A307-L529 HydrophobicContact CB-CD2 4.44Å; I310-L529 HydrophobicContact CD1-CD1 4.25Å; I310-L529 HydrophobicContact CD1-CD2 3.78Å; F517-L529 HydrophobicContact CE2-CD1 4.15Å; F517-L529 HydrophobicContact CE2-CD2 4.24Å; F517-L529 HydrophobicContact CZ-CD1 3.74Å; F517-L529 HydrophobicContact CZ-CD2 4.2Å; F517-L529 HydrophobicContact CZ-CG 4.33Å; V527-L529 HydrophobicContact CG1-CD2 3.67Å; V527-L529 HydrophobicContact CG1-CG 4.2Å; L529-Y540 HydrophobicContact CD1-CE1 3.64Å; L529-L544 HydrophobicContact CD1-CD1 3.63Å; L529-F548 HydrophobicContact CD1-CE1 3.74Å; L529-F548 HydrophobicContact CD1-CZ 3.56Å; L529-F548 HydrophobicContact CG-CE1 4.05Å; L529-F548 HydrophobicContact CG-CZ 4.36Å |
| 530 | A | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I38 K46 L50 I304 D305 E306 A307 | I38-A530 HydrophobicContact CB-CB 4.22Å; I38-A530 VanDerWaalsContact O-CA 3.27Å; I38-A530 WeakPolarHBondContact O-CA 3.48Å; K46-A530 HydrophobicContact CD-CB 4.24Å; L50-A530 HydrophobicContact CD1-CB 3.52Å; L50-A530 HydrophobicContact CD2-CB 4.23Å; L50-A530 HydrophobicContact CG-CB 4.46Å; I304-A530 PolarHBondContact O-N 3.32Å; D305-A530 CarbonylContact C-O 3.59Å; E306-A530 PolarHBondContact N-O 2.92Å; A307-A530 PolarHBondContact N-O 3.15Å |
| 531 | S | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 168.4 | 170.8 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | I38 E39 S40 H308 T533 | I38-S531 PolarHBondContact O-N 3.23Å; E39-S531 VanDerWaalsContact CA-O 3.26Å; E39-S531 WeakPolarHBondContact CA-O 3.42Å; S40-S531 PolarHBondContact N-O 3.47Å; H308-S531 WeakPolarHBondContact CB-OG 3.17Å; H308-S531 PolarHBondContact ND1-OG 3.03Å; S531-T533 VanDerWaalsContact C-N 3.25Å; S531-T533 PolarHBondContact O-N 3.39Å |
| 532 | G | 87.9 | Confident | 91.4 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -77.4 | -7.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S40 | S40-G532 VanDerWaalsContact O-CA 3.23Å; S40-G532 WeakPolarHBondContact O-CA 3.28Å |
| 533 | T | 86 | Confident | 91.3 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.055 | 9% | 0.086 | C | C | . | . | trans | -144.8 | 40 | -164 | 57.1 | 0 | 0 | 0 | 0 | 113 | H308 S531 R749 N752 Q753 | H308-T533 VanDerWaalsContact CB-OG1 3.31Å; H308-T533 WeakPolarHBondContact CB-OG1 3.49Å; S531-T533 VanDerWaalsContact C-N 3.25Å; S531-T533 PolarHBondContact O-N 3.39Å; T533-R749 WeakPolarHBondContact O-CG 3.39Å; T533-N752 HydrophobicContact CG2-CB 3.61Å; T533-Q753 HydrophobicContact CG2-CB 4.35Å | ||
| 534 | L | 85.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -82 | -22 | -178.7 | -64.5 | -174.4 | 0 | 0 | 0 | 113.7 | L37 I38 E39 A307 P536 Y540 | L37-L534 HydrophobicContact CB-CD1 4.44Å; L37-L534 HydrophobicContact CD2-CD1 4.38Å; I38-L534 WeakPolarHBondContact O-CD1 3.28Å; E39-L534 HydrophobicContact CB-CB 4.39Å; E39-L534 PolarHBondContact OE2-N 2.82Å; E39-L534 VanDerWaalsContact OE2-N 3.09Å; A307-L534 HydrophobicContact CB-CD2 4.46Å; L534-P536 CarbonylContact O-C 3.47Å; L534-Y540 HydrophobicContact CD2-CD2 4.39Å; L534-Y540 HydrophobicContact CD2-CE1 4.08Å; L534-Y540 HydrophobicContact CD2-CE2 3.86Å | ||
| 535 | S | 82.9 | Confident | 90.9 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 5% | 0.049 | 9% | 0.087 | C | C | . | . | trans | -74.9 | 140.7 | -176.5 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | E39 E553 | E39-S535 WeakPolarHBondContact OE2-CA 3.5Å; E39-S535 WeakPolarHBondContact OE2-CB 3.38Å; E39-S535 PolarHBondContact OE2-N 3.39Å; S535-E553 WeakPolarHBondContact CB-OE1 3.14Å; S535-E553 PolarHBondContact OG-OE1 3.08Å | ||
| 536 | P | 85.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 12.5 Ų | 12.5 | 27% | 0.266 | 9% | 0.086 | S | C | . | . | S | Bend | cis | -69 | 125.9 | -1 | -19.2 | 33.5 | 0 | 0 | 0 | 113.5 | L534 D538 T539 Y540 | L534-P536 CarbonylContact O-C 3.47Å; P536-D538 VanDerWaalsContact C-N 3.31Å; P536-D538 PolarHBondContact O-N 2.9Å; P536-T539 HydrophobicContact CB-CG2 4.22Å; P536-T539 PolarHBondContact O-N 3.33Å; P536-T539 PolarHBondContact O-OG1 3.45Å; P536-Y540 PolarHBondContact O-N 3.33Å |
| 537 | M | 88.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.2 | -26.6 | -173.9 | -69.8 | 179.5 | -179.9 | 0 | 0 | 113.4 | L37 E39 Y540 A541 R551 L552 E553 | L37-M537 HydrophobicContact CB-SD 4.1Å; L37-M537 HydrophobicContact CD1-CB 3.96Å; L37-M537 HydrophobicContact CD1-CG 4.3Å; E39-M537 HydrophobicContact CB-CE 3.37Å; M537-Y540 PolarHBondContact O-N 2.89Å; M537-A541 VanDerWaalsContact O-CB 3.3Å; M537-A541 WeakPolarHBondContact O-CB 3.41Å; M537-A541 PolarHBondContact O-N 2.89Å; M537-R551 HydrophobicContact SD-CB 3.92Å; M537-R551 HydrophobicContact SD-CG 4.37Å; M537-L552 VanDerWaalsContact CE-O 3.22Å; M537-L552 WeakPolarHBondContact CE-O 3.36Å; M537-E553 HydrophobicContact CE-CB 4.5Å; M537-E553 HydrophobicContact CE-CG 3.51Å; M537-E553 HydrophobicContact SD-CG 4.18Å |
| 538 | D | 87 | Confident | 90.2 | Very high | 90 Ų | 90 | 17.5 Ų | 17.5 | 48% | 0.481 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.4 | -72.1 | -52.2 | 0 | 0 | 0 | 112.3 | P536 Y540 S542 R551 | P536-D538 VanDerWaalsContact C-N 3.31Å; P536-D538 PolarHBondContact O-N 2.9Å; D538-Y540 VanDerWaalsContact C-N 3.34Å; D538-S542 VanDerWaalsContact O-CB 3.22Å; D538-S542 WeakPolarHBondContact O-CB 3.31Å; D538-S542 PolarHBondContact O-N 3.06Å; D538-R551 IonicContact OD1-CZ 2.92Å; D538-R551 IonicContact OD1-NH1 2.96Å; D538-R551 PolarHBondContact OD1-NH1 2.61Å; D538-R551 IonicContact OD1-NH2 2.77Å; D538-R551 PolarHBondContact OD1-NH2 3.26Å; D538-R551 VanDerWaalsContact OD1-NH2 3.12Å; D538-R551 IonicContact OD2-NH1 3.46Å |
| 539 | T | 87.3 | Confident | 90.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | P536 S542 E543 I737 Q741 | P536-T539 HydrophobicContact CB-CG2 4.22Å; P536-T539 PolarHBondContact O-N 3.33Å; P536-T539 PolarHBondContact O-OG1 3.45Å; T539-S542 PolarHBondContact O-N 2.96Å; T539-E543 WeakPolarHBondContact O-CG 3.36Å; T539-E543 PolarHBondContact O-N 2.91Å; T539-E543 VanDerWaalsContact O-N 3.1Å; T539-I737 HydrophobicContact CG2-CG2 3.71Å; T539-Q741 HydrophobicContact CG2-CG 4.36Å |
| 540 | Y | 88.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 175.9 | -172.5 | -97.3 | 0 | 0 | 0 | 112.4 | L37 A307 I310 E311 L529 L534 P536 M537 D538 S542 E543 L544 R749 | L37-Y540 HydrophobicContact CD1-CD1 3.94Å; L37-Y540 HydrophobicContact CD2-CD1 3.73Å; L37-Y540 HydrophobicContact CD2-CE1 3.59Å; A307-Y540 WeakPolarHBondContact CB-OH 3.45Å; A307-Y540 PolarHBondContact O-OH 3.37Å; I310-Y540 HydrophobicContact CG2-CE1 4.4Å; I310-Y540 HydrophobicContact CG2-CE2 3.81Å; I310-Y540 VanDerWaalsContact CG2-CZ 3.47Å; I310-Y540 WeakPolarHBondContact CG2-OH 3.12Å; E311-Y540 HydrophobicContact CG-CD2 4.27Å; E311-Y540 HydrophobicContact CG-CE2 4.31Å; E311-Y540 WeakPolarHBondContact OE1-CD2 3.37Å; L529-Y540 HydrophobicContact CD1-CE1 3.64Å; L534-Y540 HydrophobicContact CD2-CD2 4.39Å; L534-Y540 HydrophobicContact CD2-CE1 4.08Å; L534-Y540 HydrophobicContact CD2-CE2 3.86Å; P536-Y540 PolarHBondContact O-N 3.33Å; M537-Y540 PolarHBondContact O-N 2.89Å; D538-Y540 VanDerWaalsContact C-N 3.34Å; Y540-S542 VanDerWaalsContact C-N 3.32Å; Y540-S542 PolarHBondContact O-N 3.49Å; Y540-E543 PolarHBondContact O-N 2.83Å; Y540-L544 HydrophobicContact CD1-CD1 3.98Å; Y540-L544 HydrophobicContact CE1-CD1 3.55Å; Y540-L544 WeakPolarHBondContact O-CG 3.21Å; Y540-L544 PolarHBondContact O-N 3.39Å; Y540-R749 VanDerWaalsContact CD2-NH2 3.32Å |
| 541 | A | 91.2 | Very high | 90.1 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L37 M537 L544 G545 F548 | L37-A541 HydrophobicContact CD1-CB 4.28Å; M537-A541 VanDerWaalsContact O-CB 3.3Å; M537-A541 WeakPolarHBondContact O-CB 3.41Å; M537-A541 PolarHBondContact O-N 2.89Å; A541-L544 PolarHBondContact O-N 2.98Å; A541-G545 PolarHBondContact O-N 2.66Å; A541-G545 VanDerWaalsContact O-N 3.15Å; A541-F548 HydrophobicContact CB-CD2 3.68Å; A541-F548 HydrophobicContact CB-CE2 4.4Å |
| 542 | S | 88.2 | Confident | 90.2 | Very high | 22 Ų | 22 | 27 Ų | 27 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | D538 T539 Y540 L544 G545 C735 | D538-S542 VanDerWaalsContact O-CB 3.22Å; D538-S542 WeakPolarHBondContact O-CB 3.31Å; D538-S542 PolarHBondContact O-N 3.06Å; T539-S542 PolarHBondContact O-N 2.96Å; Y540-S542 VanDerWaalsContact C-N 3.32Å; Y540-S542 PolarHBondContact O-N 3.49Å; S542-L544 PolarHBondContact O-N 3.34Å; S542-G545 PolarHBondContact O-N 2.98Å; S542-G545 VanDerWaalsContact O-N 3.15Å; S542-C735 WeakPolarHBondContact CB-O 3.48Å; S542-C735 PolarHBondContact OG-O 3.3Å |
| 543 | E | 90.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 178.1 | -77.5 | -76.9 | 142 | 0 | 0 | 111.9 | E311 R315 P513 T539 Y540 G545 K717 N721 I737 | E311-E543 HydrophobicContact CG-CB 4.18Å; R315-E543 IonicContact NH1-OE2 3.76Å; P513-E543 HydrophobicContact CG-CB 4.23Å; P513-E543 WeakPolarHBondContact CG-O 3.39Å; T539-E543 WeakPolarHBondContact O-CG 3.36Å; T539-E543 PolarHBondContact O-N 2.91Å; T539-E543 VanDerWaalsContact O-N 3.1Å; Y540-E543 PolarHBondContact O-N 2.83Å; E543-G545 PolarHBondContact O-N 2.98Å; E543-K717 IonicContact OE1-NZ 3.72Å; E543-K717 PolarHBondContact OE1-NZ 3.42Å; E543-K717 VanDerWaalsContact OE1-NZ 3.16Å; E543-K717 WeakPolarHBondContact OE2-CE 3.3Å; E543-K717 IonicContact OE2-NZ 2.64Å; E543-K717 PolarHBondContact OE2-NZ 3.27Å; E543-N721 PolarHBondContact OE1-ND2 2.87Å; E543-N721 PolarHBondContact OE1-OD1 2.89Å; E543-I737 HydrophobicContact CG-CD1 3.74Å; E543-I737 HydrophobicContact CG-CG1 4.5Å; E543-I737 WeakPolarHBondContact OE1-CD1 3.23Å |
| 544 | L | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.7 | -10.8 | 177.3 | -62.7 | -178 | 0 | 0 | 0 | 114.1 | I310 E311 P513 A514 F517 L529 Y540 A541 S542 V546 F548 | I310-L544 HydrophobicContact CG2-CD1 3.93Å; I310-L544 HydrophobicContact CG2-CD2 3.88Å; I310-L544 HydrophobicContact CG2-CG 4.46Å; E311-L544 HydrophobicContact CG-CD2 4.18Å; P513-L544 HydrophobicContact CB-CD2 4.28Å; A514-L544 WeakPolarHBondContact CA-O 3.21Å; A514-L544 WeakPolarHBondContact CB-O 3.21Å; F517-L544 HydrophobicContact CB-CD2 4.27Å; F517-L544 HydrophobicContact CD1-CB 3.87Å; F517-L544 HydrophobicContact CD1-CD1 4.28Å; F517-L544 HydrophobicContact CD1-CG 4.45Å; F517-L544 HydrophobicContact CD2-CD2 4.39Å; F517-L544 HydrophobicContact CE1-CB 4.33Å; F517-L544 HydrophobicContact CE1-CD1 4.13Å; F517-L544 HydrophobicContact CE2-CD1 4.44Å; F517-L544 HydrophobicContact CG-CB 4.29Å; F517-L544 HydrophobicContact CG-CD1 4.48Å; F517-L544 HydrophobicContact CG-CD2 4.13Å; F517-L544 HydrophobicContact CZ-CD1 4.22Å; L529-L544 HydrophobicContact CD1-CD1 3.63Å; Y540-L544 HydrophobicContact CD1-CD1 3.98Å; Y540-L544 HydrophobicContact CE1-CD1 3.55Å; Y540-L544 WeakPolarHBondContact O-CG 3.21Å; Y540-L544 PolarHBondContact O-N 3.39Å; A541-L544 PolarHBondContact O-N 2.98Å; S542-L544 PolarHBondContact O-N 3.34Å; L544-V546 PolarHBondContact O-N 3.1Å; L544-V546 VanDerWaalsContact O-N 3.16Å; L544-F548 HydrophobicContact CB-CE2 4.25Å; L544-F548 HydrophobicContact CD1-CE2 4.02Å; L544-F548 HydrophobicContact CD1-CZ 3.91Å |
| 545 | G | 89.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 44% | 0.443 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 17.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A541 S542 E543 | A541-G545 PolarHBondContact O-N 2.66Å; A541-G545 VanDerWaalsContact O-N 3.15Å; S542-G545 PolarHBondContact O-N 2.98Å; S542-G545 VanDerWaalsContact O-N 3.15Å; E543-G545 PolarHBondContact O-N 2.98Å |
| 546 | V | 90.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -130.1 | 150.1 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 111 | F517 N518 L544 F548 | F517-V546 HydrophobicContact CD1-CG1 4.33Å; F517-V546 HydrophobicContact CD1-CG2 3.6Å; F517-V546 HydrophobicContact CE1-CG2 3.43Å; F517-V546 VanDerWaalsContact CE1-CG2 3.43Å; N518-V546 HydrophobicContact CB-CG1 4.42Å; L544-V546 PolarHBondContact O-N 3.1Å; L544-V546 VanDerWaalsContact O-N 3.16Å; V546-F548 HydrophobicContact CG2-CD2 4.34Å; V546-F548 HydrophobicContact CG2-CE2 3.63Å; V546-F548 HydrophobicContact CG2-CZ 3.9Å; V546-F548 VanDerWaalsContact O-CD2 3.31Å; V546-F548 WeakPolarHBondContact O-CD2 3.33Å |
| 547 | P | 92.3 | Very high | 90.9 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 66% | 0.662 | 19% | 0.191 | S | C | * | . | trans | -73 | 137.1 | -178.8 | 29.2 | -34.5 | 0 | 0 | 0 | 111.4 | N35 P549 | N35-P547 WeakPolarHBondContact CB-O 3.33Å; N35-P547 PolarHBondContact ND2-O 3.45Å; P547-P549 WeakPolarHBondContact O-CD 3.28Å | ||
| 548 | F | 95.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | trans | -118 | 81.9 | 168.9 | -68.5 | -89.7 | 0 | 0 | 0 | 109.1 | N35 L37 F517 L529 A541 L544 V546 I550 R551 | N35-F548 HydrophobicContact CB-CD1 3.48Å; N35-F548 VanDerWaalsContact CB-CD1 3.48Å; N35-F548 HydrophobicContact CB-CE1 3.7Å; N35-F548 HydrophobicContact CB-CG 4.23Å; L37-F548 HydrophobicContact CD1-CB 3.87Å; L37-F548 HydrophobicContact CD1-CD1 4.29Å; L37-F548 HydrophobicContact CD1-CD2 4.07Å; L37-F548 HydrophobicContact CD1-CG 3.83Å; L37-F548 HydrophobicContact CD2-CD1 3.46Å; L37-F548 VanDerWaalsContact CD2-CD1 3.46Å; L37-F548 HydrophobicContact CD2-CD2 4.23Å; L37-F548 HydrophobicContact CD2-CE1 3.48Å; L37-F548 VanDerWaalsContact CD2-CE1 3.48Å; L37-F548 HydrophobicContact CD2-CE2 4.25Å; L37-F548 HydrophobicContact CD2-CG 3.84Å; L37-F548 HydrophobicContact CD2-CZ 3.89Å; L37-F548 HydrophobicContact CG-CB 3.69Å; L37-F548 HydrophobicContact CG-CD1 3.46Å; L37-F548 VanDerWaalsContact CG-CD1 3.46Å; L37-F548 HydrophobicContact CG-CD2 4.13Å; L37-F548 HydrophobicContact CG-CE1 4.05Å; L37-F548 HydrophobicContact CG-CG 3.5Å; L37-F548 VanDerWaalsContact CG-CG 3.5Å; F517-F548 HydrophobicContact CE1-CE2 4.34Å; F517-F548 AromaticContact CE1-CZ 3.64Å; F517-F548 HydrophobicContact CE1-CZ 3.64Å; F517-F548 AromaticContact CZ-CZ 3.94Å; F517-F548 HydrophobicContact CZ-CZ 3.94Å; L529-F548 HydrophobicContact CD1-CE1 3.74Å; L529-F548 HydrophobicContact CD1-CZ 3.56Å; L529-F548 HydrophobicContact CG-CE1 4.05Å; L529-F548 HydrophobicContact CG-CZ 4.36Å; A541-F548 HydrophobicContact CB-CD2 3.68Å; A541-F548 HydrophobicContact CB-CE2 4.4Å; L544-F548 HydrophobicContact CB-CE2 4.25Å; L544-F548 HydrophobicContact CD1-CE2 4.02Å; L544-F548 HydrophobicContact CD1-CZ 3.91Å; V546-F548 HydrophobicContact CG2-CD2 4.34Å; V546-F548 HydrophobicContact CG2-CE2 3.63Å; V546-F548 HydrophobicContact CG2-CZ 3.9Å; V546-F548 VanDerWaalsContact O-CD2 3.31Å; V546-F548 WeakPolarHBondContact O-CD2 3.33Å; F548-I550 VanDerWaalsContact C-N 3.26Å; F548-I550 PolarHBondContact O-N 3.5Å; F548-R551 WeakPolarHBondContact O-CG 3.39Å; F548-R551 PolarHBondContact O-NE 3.04Å | ||
| 549 | P | 95.6 | Very high | 91 | Very high | 79 Ų | 79 | 31.4 Ų | 31.4 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | trans | -69.5 | -25.7 | -176.5 | 27.8 | -35.1 | 0 | 0 | 0 | 112.5 | K34 N35 P547 | K34-P549 HydrophobicContact CB-CG 3.8Å; K34-P549 HydrophobicContact CD-CG 4.29Å; K34-P549 HydrophobicContact CG-CG 4.02Å; N35-P549 WeakPolarHBondContact O-CD 3.38Å; P547-P549 WeakPolarHBondContact O-CD 3.28Å | ||
| 550 | I | 97.7 | Very high | 91 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.1 | -178.8 | -60.3 | 168.4 | 0 | 0 | 0 | 108.5 | K25 E28 A29 M32 K34 C36 L37 F548 | K25-I550 HydrophobicContact CB-CG2 3.9Å; K25-I550 HydrophobicContact CD-CG2 3.92Å; K25-I550 HydrophobicContact CG-CG2 4.34Å; E28-I550 HydrophobicContact CB-CD1 4.27Å; E28-I550 HydrophobicContact CG-CD1 3.86Å; E28-I550 HydrophobicContact CG-CG1 4.44Å; A29-I550 HydrophobicContact CB-CD1 3.59Å; M32-I550 HydrophobicContact CE-CD1 4.04Å; M32-I550 HydrophobicContact CE-CG1 4.45Å; M32-I550 HydrophobicContact SD-CD1 4.34Å; K34-I550 HydrophobicContact CB-CD1 4.12Å; C36-I550 CarbonylContact C-O 3.52Å; C36-I550 VanDerWaalsContact CA-O 3.25Å; C36-I550 WeakPolarHBondContact CA-O 3.45Å; C36-I550 HydrophobicContact CB-CB 4.27Å; C36-I550 HydrophobicContact CB-CG2 4.32Å; L37-I550 PolarHBondContact N-O 2.92Å; F548-I550 VanDerWaalsContact C-N 3.26Å; F548-I550 PolarHBondContact O-N 3.5Å |
| 551 | R | 96.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.7 | -174.1 | -57.1 | -175.7 | -173.6 | 178.5 | -2.9 | 111.4 | L37 M537 D538 F548 | L37-R551 HydrophobicContact CB-CG 4.46Å; L37-R551 CarbonylContact O-C 3.37Å; L37-R551 VanDerWaalsContact O-CA 3.27Å; L37-R551 WeakPolarHBondContact O-CA 3.43Å; M537-R551 HydrophobicContact SD-CB 3.92Å; M537-R551 HydrophobicContact SD-CG 4.37Å; D538-R551 IonicContact OD1-CZ 2.92Å; D538-R551 IonicContact OD1-NH1 2.96Å; D538-R551 PolarHBondContact OD1-NH1 2.61Å; D538-R551 IonicContact OD1-NH2 2.77Å; D538-R551 PolarHBondContact OD1-NH2 3.26Å; D538-R551 VanDerWaalsContact OD1-NH2 3.12Å; D538-R551 IonicContact OD2-NH1 3.46Å; F548-R551 WeakPolarHBondContact O-CG 3.39Å; F548-R551 PolarHBondContact O-NE 3.04Å |
| 552 | L | 95.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 120.5 | 175.1 | 178.9 | 64.9 | 0 | 0 | 0 | 111.5 | A21 M22 K25 L37 I38 E39 M537 A554 | A21-L552 HydrophobicContact CB-CD1 4.11Å; A21-L552 HydrophobicContact CB-CD2 4.08Å; M22-L552 VanDerWaalsContact CA-CD2 3.42Å; M22-L552 HydrophobicContact CB-CD2 4.07Å; M22-L552 HydrophobicContact CG-CD2 3.56Å; K25-L552 HydrophobicContact CG-CB 4.11Å; K25-L552 HydrophobicContact CG-CD2 4.42Å; L37-L552 PolarHBondContact O-N 3.46Å; I38-L552 HydrophobicContact CG1-CB 4.45Å; I38-L552 HydrophobicContact CG2-CD2 4.35Å; E39-L552 PolarHBondContact N-O 2.96Å; M537-L552 VanDerWaalsContact CE-O 3.22Å; M537-L552 WeakPolarHBondContact CE-O 3.36Å; L552-A554 HydrophobicContact CG-CB 4.45Å |
| 553 | E | 93.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 99.7 | 161.7 | -68.1 | -174.5 | 179.3 | 0 | 0 | 109.2 | E39 S535 M537 K786 R789 | E39-E553 HydrophobicContact CB-CG 4.4Å; S535-E553 WeakPolarHBondContact CB-OE1 3.14Å; S535-E553 PolarHBondContact OG-OE1 3.08Å; M537-E553 HydrophobicContact CE-CB 4.5Å; M537-E553 HydrophobicContact CE-CG 3.51Å; M537-E553 HydrophobicContact SD-CG 4.18Å; E553-K786 HydrophobicContact CB-CB 4.49Å; E553-K786 HydrophobicContact CB-CD 3.94Å; E553-K786 WeakPolarHBondContact OE2-CB 3.46Å; E553-K786 WeakPolarHBondContact OE2-CD 3.42Å; E553-R789 IonicContact OE2-NH2 3.6Å; E553-R789 PolarHBondContact OE2-NH2 2.71Å |
| 554 | A | 90.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 144.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E39 L552 | E39-A554 WeakPolarHBondContact O-CB 3.38Å; E39-A554 PolarHBondContact O-N 3.4Å; L552-A554 HydrophobicContact CG-CB 4.45Å |
| 555 | M | 87.2 | Confident | 92 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -76.7 | 157.1 | 170.4 | -66.2 | -60.3 | -68.1 | 0 | 0 | 110.8 | K786 | M555-K786 HydrophobicContact SD-CD 4.19Å; M555-K786 HydrophobicContact SD-CG 4.14Å |
| 556 | H | 85 | Confident | 92.4 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 149.1 | 172.6 | -155.7 | -70 | 0 | 0 | 0 | 110.7 | P41 L558 W787 | P41-H556 HydrophobicContact CG-CB 4.33Å; H556-L558 WeakPolarHBondContact CE1-CD1 3.48Å; H556-L558 VanDerWaalsContact CE1-CG 3.42Å; H556-L558 WeakPolarHBondContact CE1-CG 3.26Å; H556-L558 VanDerWaalsContact ND1-CB 3.34Å; H556-L558 WeakPolarHBondContact ND1-CB 3.14Å; H556-L558 WeakPolarHBondContact ND1-CG 3.43Å; H556-L558 PolarHBondContact ND1-N 2.88Å; H556-L558 PolarHBondContact O-N 3.3Å; H556-W787 HydrophobicContact CB-CB 4.07Å; H556-W787 HydrophobicContact CB-CD2 4.32Å; H556-W787 HydrophobicContact CB-CE3 4.24Å; H556-W787 HydrophobicContact CB-CG 4.3Å; H556-W787 AromaticContact CD2-CE3 3.91Å |
| 557 | V | 86 | Confident | 92.7 | Very high | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -78.3 | -2.2 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | Y16 S18 R762 | Y16-V557 HydrophobicContact CD1-CG1 4.38Å; Y16-V557 HydrophobicContact CD2-CB 4.45Å; Y16-V557 HydrophobicContact CD2-CG1 3.71Å; Y16-V557 HydrophobicContact CE2-CG1 4.38Å; Y16-V557 HydrophobicContact CG-CB 4.34Å; Y16-V557 HydrophobicContact CG-CG1 3.72Å; S18-V557 WeakPolarHBondContact OG-CG1 3.48Å; V557-R762 HydrophobicContact CG2-CB 4.35Å |
| 558 | L | 88.1 | Confident | 92.9 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -87.4 | 140.4 | -175.4 | -84.5 | 170.4 | 0 | 0 | 0 | 109.5 | H556 R562 V563 L759 H761 R762 D764 | H556-L558 WeakPolarHBondContact CE1-CD1 3.48Å; H556-L558 VanDerWaalsContact CE1-CG 3.42Å; H556-L558 WeakPolarHBondContact CE1-CG 3.26Å; H556-L558 VanDerWaalsContact ND1-CB 3.34Å; H556-L558 WeakPolarHBondContact ND1-CB 3.14Å; H556-L558 WeakPolarHBondContact ND1-CG 3.43Å; H556-L558 PolarHBondContact ND1-N 2.88Å; H556-L558 PolarHBondContact O-N 3.3Å; L558-R562 HydrophobicContact CD2-CB 4.42Å; L558-V563 HydrophobicContact CB-CG2 3.9Å; L558-V563 HydrophobicContact CD1-CG2 3.68Å; L558-V563 HydrophobicContact CG-CG2 4.43Å; L558-L759 HydrophobicContact CD1-CB 3.95Å; L558-L759 HydrophobicContact CD1-CD1 4.02Å; L558-L759 HydrophobicContact CD1-CD2 3.74Å; L558-L759 HydrophobicContact CD1-CG 4.1Å; L558-H761 WeakPolarHBondContact CD2-O 3.44Å; L558-R762 WeakPolarHBondContact CD2-O 3.49Å; L558-D764 WeakPolarHBondContact CD2-O 3.17Å |
| 559 | P | 88.9 | Confident | 93 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | trans | -53.8 | 140 | 166.6 | -25 | 33.5 | 0 | 0 | 0 | 111.4 | E561 R562 | P559-E561 VanDerWaalsContact CB-OE2 3.27Å; P559-E561 WeakPolarHBondContact CB-OE2 3.49Å; P559-E561 PolarHBondContact O-N 2.96Å; P559-R562 HydrophobicContact CB-CG 4.5Å; P559-R562 PolarHBondContact O-N 2.98Å; P559-R562 VanDerWaalsContact O-N 3.13Å | ||
| 560 | P | 88.4 | Confident | 93 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 45% | 0.448 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -51.8 | -25.9 | 179.3 | -28.3 | 35.6 | 0 | 0 | 0 | 115.3 | K791 | P560-K791 VanDerWaalsContact CB-NZ 3.29Å; P560-K791 WeakPolarHBondContact O-CE 3.44Å |
| 561 | E | 92.1 | Very high | 93 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -82.6 | -14.1 | -174 | -55 | 69.2 | -144.6 | 0 | 0 | 113.2 | P559 F808 R811 | P559-E561 VanDerWaalsContact CB-OE2 3.27Å; P559-E561 WeakPolarHBondContact CB-OE2 3.49Å; P559-E561 PolarHBondContact O-N 2.96Å; E561-F808 WeakPolarHBondContact O-CE2 3.32Å; E561-R811 PolarHBondContact O-NH2 3.43Å |
| 562 | R | 93.5 | Very high | 93 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 32% | 0.321 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -98 | -1.4 | -176.7 | -68.8 | -178.1 | 164.8 | -122.5 | 0.5 | 113.8 | L558 P559 Q763 D764 W765 G766 L812 | L558-R562 HydrophobicContact CD2-CB 4.42Å; P559-R562 HydrophobicContact CB-CG 4.5Å; P559-R562 PolarHBondContact O-N 2.98Å; P559-R562 VanDerWaalsContact O-N 3.13Å; R562-Q763 PolarHBondContact NH1-O 2.84Å; R562-D764 PolarHBondContact NH1-O 3.04Å; R562-W765 HydrophobicContact CB-CB 4.03Å; R562-W765 WeakPolarHBondContact O-CA 3.34Å; R562-W765 VanDerWaalsContact O-CB 3.29Å; R562-W765 WeakPolarHBondContact O-CB 3.41Å; R562-G766 PolarHBondContact O-N 2.83Å; R562-G766 VanDerWaalsContact O-N 3.12Å; R562-L812 HydrophobicContact CG-CD2 4.18Å |
| 563 | V | 94.6 | Very high | 93 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.2 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | L558 V565 L759 W787 | L558-V563 HydrophobicContact CB-CG2 3.9Å; L558-V563 HydrophobicContact CD1-CG2 3.68Å; L558-V563 HydrophobicContact CG-CG2 4.43Å; V563-V565 HydrophobicContact CG1-CG2 3.89Å; V563-L759 HydrophobicContact CG1-CD1 3.97Å; V563-L759 HydrophobicContact CG2-CD1 3.9Å; V563-L759 HydrophobicContact CG2-CD2 4.47Å; V563-W787 HydrophobicContact CG1-CZ3 4.28Å |
| 564 | Y | 96.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.4 | 171.6 | 175.5 | -86.6 | 0 | 0 | 0 | 109.4 | G766 A767 L768 I769 Y795 M801 D804 L805 F808 | Y564-G766 PolarHBondContact N-O 2.91Å; Y564-A767 HydrophobicContact CD1-CB 3.88Å; Y564-A767 HydrophobicContact CG-CB 4.36Å; Y564-L768 WeakPolarHBondContact O-CB 3.25Å; Y564-L768 PolarHBondContact O-N 3.47Å; Y564-I769 HydrophobicContact CE1-CG1 4.27Å; Y564-Y795 WeakPolarHBondContact CE2-OH 3.45Å; Y564-Y795 VanDerWaalsContact OH-CE2 3.25Å; Y564-Y795 WeakPolarHBondContact OH-CE2 3.18Å; Y564-Y795 VanDerWaalsContact OH-CZ 3.3Å; Y564-Y795 PolarHBondContact OH-OH 2.96Å; Y564-Y795 VanDerWaalsContact OH-OH 3.06Å; Y564-M801 VanDerWaalsContact OH-CG 3.25Å; Y564-M801 WeakPolarHBondContact OH-CG 3.46Å; Y564-M801 PolarHBondContact OH-O 3.05Å; Y564-D804 HydrophobicContact CE2-CB 4.4Å; Y564-L805 HydrophobicContact CD1-CD1 3.82Å; Y564-L805 HydrophobicContact CE1-CD1 3.82Å; Y564-L805 HydrophobicContact CG-CD1 4.21Å; Y564-F808 HydrophobicContact CD2-CB 4.07Å; Y564-F808 HydrophobicContact CD2-CD2 4.49Å; Y564-F808 HydrophobicContact CD2-CG 4.14Å; Y564-F808 HydrophobicContact CG-CD1 4.26Å; Y564-F808 HydrophobicContact CG-CG 4.25Å |
| 565 | V | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 98.7 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | V563 L768 M770 I788 K791 F792 Q793 | V563-V565 HydrophobicContact CG1-CG2 3.89Å; V565-L768 CarbonylContact C-O 3.52Å; V565-L768 WeakPolarHBondContact CA-O 3.46Å; V565-L768 HydrophobicContact CG1-CB 4.39Å; V565-L768 HydrophobicContact CG2-CB 4.26Å; V565-L768 HydrophobicContact CG2-CD1 4.06Å; V565-L768 HydrophobicContact CG2-CG 4.41Å; V565-M770 HydrophobicContact CG1-CE 3.62Å; V565-I788 HydrophobicContact CG1-CG2 3.58Å; V565-I788 HydrophobicContact CG2-CG2 4.46Å; V565-K791 HydrophobicContact CB-CB 4.07Å; V565-K791 HydrophobicContact CG2-CB 3.69Å; V565-F792 HydrophobicContact CG1-CB 4.26Å; V565-F792 HydrophobicContact CG1-CD2 4.18Å; V565-Q793 PolarHBondContact O-N 3.1Å |
| 566 | G | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L768 I769 M770 Q793 | G566-L768 PolarHBondContact N-O 3.43Å; G566-I769 CarbonylContact O-C 3.59Å; G566-I769 WeakPolarHBondContact O-CA 3.31Å; G566-M770 PolarHBondContact O-N 2.89Å; G566-Q793 CarbonylContact C-O 3.55Å; G566-Q793 WeakPolarHBondContact CA-O 3.15Å |
| 567 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M770 F775 F792 Q793 H794 Y795 | A567-M770 VanDerWaalsContact CA-O 3.26Å; A567-M770 WeakPolarHBondContact CA-O 3.32Å; A567-M770 HydrophobicContact CB-CB 3.94Å; A567-M770 HydrophobicContact CB-CE 4.44Å; A567-F775 HydrophobicContact CB-CB 3.92Å; A567-F775 HydrophobicContact CB-CG 4.39Å; A567-F792 HydrophobicContact CB-CE2 3.56Å; A567-F792 HydrophobicContact CB-CZ 3.57Å; A567-Q793 PolarHBondContact N-O 3.24Å; A567-H794 WeakPolarHBondContact O-CA 3.3Å; A567-Y795 PolarHBondContact O-N 2.88Å |
| 568 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.2 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 110.7 | L570 M770 L771 D772 F798 M801 | V568-L570 WeakPolarHBondContact CG2-O 3.47Å; V568-M770 PolarHBondContact N-O 3.48Å; V568-L771 HydrophobicContact CG1-CD2 3.61Å; V568-D772 PolarHBondContact O-N 2.81Å; V568-F798 HydrophobicContact CG1-CD2 4.34Å; V568-M801 HydrophobicContact CB-SD 3.77Å; V568-M801 HydrophobicContact CG1-CE 3.98Å; V568-M801 HydrophobicContact CG1-SD 3.48Å; V568-M801 WeakPolarHBondContact CG1-SD 3.48Å |
| 569 | G | 96.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -99.2 | -7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L577 A773 | G569-L577 PolarHBondContact O-N 3.16Å; G569-A773 VanDerWaalsContact CA-CA 3.46Å |
| 570 | L | 97.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -123.9 | 144.2 | -175.8 | -58.7 | 180 | 0 | 0 | 0 | 109.9 | V568 K575 V576 S796 | V568-L570 WeakPolarHBondContact CG2-O 3.47Å; L570-K575 CarbonylContact C-O 3.5Å; L570-K575 WeakPolarHBondContact CA-O 3.31Å; L570-V576 HydrophobicContact CD2-CB 4.41Å; L570-V576 HydrophobicContact CD2-CG2 3.83Å; L570-S796 WeakPolarHBondContact CD1-O 3.41Å |
| 571 | G | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | -91.9 | -174.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S573 G574 K575 E592 F798 | G571-S573 VanDerWaalsContact C-N 3.25Å; G571-S573 PolarHBondContact O-N 3.42Å; G571-G574 PolarHBondContact O-N 3.45Å; G571-K575 PolarHBondContact N-O 3.15Å; G571-E592 WeakPolarHBondContact CA-OE1 3.45Å; G571-F798 WeakPolarHBondContact O-CB 3.39Å | ||
| 572 | P | 96.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.8 | -176.6 | -19.7 | 25.1 | 0 | 0 | 0 | 114.9 | G574 L595 T596 F798 | P572-G574 VanDerWaalsContact C-N 3.26Å; P572-L595 HydrophobicContact CG-CB 3.99Å; P572-T596 WeakPolarHBondContact CD-OG1 3.47Å; P572-F798 HydrophobicContact CB-CD1 3.89Å; P572-F798 HydrophobicContact CB-CE1 4.02Å; P572-F798 HydrophobicContact CG-CD1 3.76Å; P572-F798 HydrophobicContact CG-CE1 3.54Å; P572-F798 HydrophobicContact CG-CG 4.37Å; P572-F798 HydrophobicContact CG-CZ 4Å |
| 573 | S | 95.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.8 | 179.8 | -37.3 | 0 | 0 | 0 | 0 | 112 | G571 K575 E592 | G571-S573 VanDerWaalsContact C-N 3.25Å; G571-S573 PolarHBondContact O-N 3.42Å; S573-K575 VanDerWaalsContact C-N 3.26Å; S573-K575 PolarHBondContact O-N 3.12Å; S573-E592 WeakPolarHBondContact CA-OE1 3.4Å; S573-E592 WeakPolarHBondContact CB-OE2 3.3Å; S573-E592 PolarHBondContact N-OE1 2.56Å; S573-E592 PolarHBondContact OG-OE2 3.16Å |
| 574 | G | 94.9 | Very high | 95 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 49% | 0.485 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 73.5 | 13.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G571 P572 E592 | G571-G574 PolarHBondContact O-N 3.45Å; P572-G574 VanDerWaalsContact C-N 3.26Å; G574-E592 PolarHBondContact N-OE1 2.89Å |
| 575 | K | 96.1 | Very high | 94.8 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | trans | -81.4 | 146.3 | 177 | -58.3 | -63.7 | -177.1 | 179.2 | 0 | 110.3 | L570 G571 S573 L577 E592 | L570-K575 CarbonylContact C-O 3.5Å; L570-K575 WeakPolarHBondContact CA-O 3.31Å; G571-K575 PolarHBondContact N-O 3.15Å; S573-K575 VanDerWaalsContact C-N 3.26Å; S573-K575 PolarHBondContact O-N 3.12Å; K575-L577 PolarHBondContact O-N 3.14Å; K575-E592 HydrophobicContact CB-CB 4.16Å; K575-E592 HydrophobicContact CB-CG 3.8Å; K575-E592 PolarHBondContact N-OE1 3.16Å; K575-E592 VanDerWaalsContact N-OE1 3.15Å | ||
| 576 | V | 96.3 | Very high | 94.8 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 123.4 | -177.2 | -178 | 0 | 0 | 0 | 0 | 110.3 | L570 K578 A773 | L570-V576 HydrophobicContact CD2-CB 4.41Å; L570-V576 HydrophobicContact CD2-CG2 3.83Å; V576-K578 HydrophobicContact CG1-CB 4.04Å; V576-K578 PolarHBondContact O-N 3.46Å; V576-A773 HydrophobicContact CG1-CB 3.68Å |
| 577 | L | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | trans | -91.6 | 95.3 | 170.4 | -65.6 | 174.8 | 0 | 0 | 0 | 108.7 | G569 K575 F589 E592 L593 T596 L771 D772 A773 | G569-L577 PolarHBondContact O-N 3.16Å; K575-L577 PolarHBondContact O-N 3.14Å; L577-F589 HydrophobicContact CD2-CD2 4.43Å; L577-F589 HydrophobicContact CD2-CE2 4.39Å; L577-E592 HydrophobicContact CD2-CB 4.09Å; L577-E592 HydrophobicContact CD2-CG 3.83Å; L577-E592 HydrophobicContact CG-CG 4.38Å; L577-L593 HydrophobicContact CD2-CB 4.23Å; L577-T596 HydrophobicContact CD1-CG2 4.02Å; L577-L771 HydrophobicContact CD1-CB 4.46Å; L577-L771 HydrophobicContact CD1-CD2 4.49Å; L577-D772 CarbonylContact O-C 3.59Å; L577-D772 VanDerWaalsContact O-CA 3.28Å; L577-D772 WeakPolarHBondContact O-CA 3.29Å; L577-A773 PolarHBondContact O-N 3.04Å | ||
| 578 | K | 95.7 | Very high | 94.7 | Very high | 72 Ų | 72 | 60 Ų | 60 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | trans | -129.4 | 104.1 | 176.3 | -177.6 | 178.4 | 172.8 | -163.8 | 0 | 108.9 | V576 T580 D583 A773 | V576-K578 HydrophobicContact CG1-CB 4.04Å; V576-K578 PolarHBondContact O-N 3.46Å; K578-T580 VanDerWaalsContact C-N 3.27Å; K578-T580 HydrophobicContact CD-CG2 4.39Å; K578-T580 HydrophobicContact CG-CG2 3.89Å; K578-T580 PolarHBondContact O-N 3.35Å; K578-D583 WeakPolarHBondContact CD-OD2 3.33Å; K578-D583 WeakPolarHBondContact CG-OD2 3.41Å; K578-D583 WeakPolarHBondContact O-CB 3.27Å; K578-A773 HydrophobicContact CB-CB 4.3Å | ||
| 579 | A | 94.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | trans | -85.5 | 70.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V584 F589 V702 D772 R774 | A579-V584 HydrophobicContact CB-CG1 4.09Å; A579-F589 HydrophobicContact CB-CE2 4.14Å; A579-F589 HydrophobicContact CB-CZ 3.77Å; A579-V702 HydrophobicContact CB-CG1 4.04Å; A579-D772 PolarHBondContact N-OD2 3.04Å; A579-R774 PolarHBondContact O-NH2 3.31Å | ||
| 580 | T | 92.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -112 | 161.4 | 169.7 | 78.5 | 0 | 0 | 0 | 0 | 111.2 | K578 Q582 D583 V584 | K578-T580 VanDerWaalsContact C-N 3.27Å; K578-T580 HydrophobicContact CD-CG2 4.39Å; K578-T580 HydrophobicContact CG-CG2 3.89Å; K578-T580 PolarHBondContact O-N 3.35Å; T580-Q582 PolarHBondContact O-N 3.28Å; T580-Q582 PolarHBondContact OG1-N 2.88Å; T580-D583 PolarHBondContact O-N 3.31Å; T580-D583 PolarHBondContact OG1-OD2 2.77Å; T580-V584 VanDerWaalsContact O-CG1 3.29Å; T580-V584 WeakPolarHBondContact O-CG1 3.21Å; T580-V584 WeakPolarHBondContact O-CG2 3.25Å; T580-V584 PolarHBondContact O-N 3.29Å |
| 581 | Y | 87.9 | Confident | 94.7 | Very high | 155 Ų | 155 | 59.3 Ų | 59.3 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.6 | 178.5 | -176.3 | -94.3 | 0 | 0 | 0 | 113.5 | ||
| 582 | Q | 88.4 | Confident | 94.7 | Very high | 164 Ų | 164 | 59.5 Ų | 59.5 | 77% | 0.766 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -31.9 | -179.9 | -65.9 | 174.1 | -9.1 | 0 | 0 | 112.9 | T580 | T580-Q582 PolarHBondContact O-N 3.28Å; T580-Q582 PolarHBondContact OG1-N 2.88Å |
| 583 | D | 92.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 57.3 Ų | 57.3 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -33.9 | -167.6 | -58 | -60 | 0 | 0 | 0 | 112 | K578 T580 D585 S586 F589 | K578-D583 WeakPolarHBondContact CD-OD2 3.33Å; K578-D583 WeakPolarHBondContact CG-OD2 3.41Å; K578-D583 WeakPolarHBondContact O-CB 3.27Å; T580-D583 PolarHBondContact O-N 3.31Å; T580-D583 PolarHBondContact OG1-OD2 2.77Å; D583-D585 PolarHBondContact O-N 3.46Å; D583-D585 VanDerWaalsContact O-N 3.12Å; D583-S586 WeakPolarHBondContact O-CB 3.47Å; D583-S586 PolarHBondContact O-N 3.04Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 3.43Å; D583-F589 WeakPolarHBondContact O-CB 3.22Å |
| 584 | V | 93.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.8 | -173.4 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | A579 T580 S586 F589 Q590 L617 | A579-V584 HydrophobicContact CB-CG1 4.09Å; T580-V584 VanDerWaalsContact O-CG1 3.29Å; T580-V584 WeakPolarHBondContact O-CG1 3.21Å; T580-V584 WeakPolarHBondContact O-CG2 3.25Å; T580-V584 PolarHBondContact O-N 3.29Å; V584-S586 VanDerWaalsContact C-N 3.31Å; V584-F589 HydrophobicContact CB-CD1 4.29Å; V584-F589 HydrophobicContact CB-CE1 4.26Å; V584-F589 HydrophobicContact CG1-CD1 4.28Å; V584-F589 HydrophobicContact CG1-CE1 3.86Å; V584-F589 HydrophobicContact CG1-CZ 4.14Å; V584-Q590 PolarHBondContact O-NE2 3.43Å; V584-L617 HydrophobicContact CB-CD1 3.74Å; V584-L617 HydrophobicContact CG1-CD1 4.17Å; V584-L617 HydrophobicContact CG1-CD2 4.03Å; V584-L617 HydrophobicContact CG2-CD1 4.27Å |
| 585 | D | 92.6 | Very high | 94.9 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.4 | -179.7 | -80.2 | -13.2 | 0 | 0 | 0 | 113.3 | D583 Q590 K620 | D583-D585 PolarHBondContact O-N 3.46Å; D583-D585 VanDerWaalsContact O-N 3.12Å; D585-Q590 PolarHBondContact O-NE2 3.38Å; D585-Q590 VanDerWaalsContact O-NE2 3.09Å; D585-K620 IonicContact OD1-NZ 3.41Å; D585-K620 PolarHBondContact OD1-NZ 2.99Å; D585-K620 IonicContact OD2-NZ 2.85Å |
| 586 | S | 95.9 | Very high | 95 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -70.9 | 143.7 | 177.2 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | D583 V584 E588 F589 Q590 | D583-S586 WeakPolarHBondContact O-CB 3.47Å; D583-S586 PolarHBondContact O-N 3.04Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 3.43Å; V584-S586 VanDerWaalsContact C-N 3.31Å; S586-E588 VanDerWaalsContact C-N 3.28Å; S586-E588 WeakPolarHBondContact CB-OE2 3.4Å; S586-F589 VanDerWaalsContact OG-CB 3.25Å; S586-F589 WeakPolarHBondContact OG-CB 3.39Å; S586-F589 PolarHBondContact OG-N 3.05Å; S586-Q590 VanDerWaalsContact O-CG 3.24Å; S586-Q590 WeakPolarHBondContact O-CG 3.45Å; S586-Q590 PolarHBondContact O-N 3.19Å; S586-Q590 PolarHBondContact O-NE2 2.9Å; S586-Q590 VanDerWaalsContact O-NE2 3.16Å |
| 587 | F | 95.2 | Very high | 95.1 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.6 | -29.6 | 174.7 | -69.2 | -31.7 | 0 | 0 | 0 | 111.5 | F589 Q590 D591 R624 | F587-F589 PolarHBondContact O-N 2.92Å; F587-Q590 PolarHBondContact O-N 3.01Å; F587-D591 VanDerWaalsContact O-CB 3.31Å; F587-D591 WeakPolarHBondContact O-CB 3.41Å; F587-D591 PolarHBondContact O-N 2.98Å; F587-R624 VanDerWaalsContact CG-CZ 3.47Å |
| 588 | E | 95.4 | Very high | 95 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.8 | -48.2 | 174.6 | -64.8 | 87 | 164.4 | 0 | 0 | 111.5 | S586 E592 | S586-E588 VanDerWaalsContact C-N 3.28Å; S586-E588 WeakPolarHBondContact CB-OE2 3.4Å; E588-E592 WeakPolarHBondContact O-CB 3.5Å; E588-E592 PolarHBondContact O-N 2.86Å |
| 589 | F | 97.4 | Very high | 95 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 176.1 | 174.1 | -92 | 0 | 0 | 0 | 111.9 | L577 A579 D583 V584 S586 F587 L593 V702 | L577-F589 HydrophobicContact CD2-CD2 4.43Å; L577-F589 HydrophobicContact CD2-CE2 4.39Å; A579-F589 HydrophobicContact CB-CE2 4.14Å; A579-F589 HydrophobicContact CB-CZ 3.77Å; D583-F589 WeakPolarHBondContact O-CB 3.22Å; V584-F589 HydrophobicContact CB-CD1 4.29Å; V584-F589 HydrophobicContact CB-CE1 4.26Å; V584-F589 HydrophobicContact CG1-CD1 4.28Å; V584-F589 HydrophobicContact CG1-CE1 3.86Å; V584-F589 HydrophobicContact CG1-CZ 4.14Å; S586-F589 VanDerWaalsContact OG-CB 3.25Å; S586-F589 WeakPolarHBondContact OG-CB 3.39Å; S586-F589 PolarHBondContact OG-N 3.05Å; F587-F589 PolarHBondContact O-N 2.92Å; F589-L593 HydrophobicContact CE1-CD2 4.09Å; F589-L593 HydrophobicContact CZ-CD2 4.18Å; F589-L593 VanDerWaalsContact O-CB 3.29Å; F589-L593 WeakPolarHBondContact O-CB 3.32Å; F589-L593 PolarHBondContact O-N 3.33Å; F589-V702 HydrophobicContact CZ-CG1 4.14Å |
| 590 | Q | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | -175.7 | -64.3 | 164.3 | 30.2 | 0 | 0 | 111.3 | V584 D585 S586 F587 A594 L621 R624 W625 | V584-Q590 PolarHBondContact O-NE2 3.43Å; D585-Q590 PolarHBondContact O-NE2 3.38Å; D585-Q590 VanDerWaalsContact O-NE2 3.09Å; S586-Q590 VanDerWaalsContact O-CG 3.24Å; S586-Q590 WeakPolarHBondContact O-CG 3.45Å; S586-Q590 PolarHBondContact O-N 3.19Å; S586-Q590 PolarHBondContact O-NE2 2.9Å; S586-Q590 VanDerWaalsContact O-NE2 3.16Å; F587-Q590 PolarHBondContact O-N 3.01Å; Q590-A594 PolarHBondContact O-N 3.37Å; Q590-L621 HydrophobicContact CB-CD2 3.81Å; Q590-L621 HydrophobicContact CG-CD2 3.63Å; Q590-R624 HydrophobicContact CB-CG 3.95Å; Q590-R624 VanDerWaalsContact OE1-CG 3.27Å; Q590-W625 PolarHBondContact O-NE1 3.23Å |
| 591 | D | 96.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.2 | -41.4 | -178.6 | -64 | -9.3 | 0 | 0 | 0 | 110.7 | F587 L593 A594 L595 R624 L631 | F587-D591 VanDerWaalsContact O-CB 3.31Å; F587-D591 WeakPolarHBondContact O-CB 3.41Å; F587-D591 PolarHBondContact O-N 2.98Å; D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 3.5Å; D591-A594 PolarHBondContact O-N 3.48Å; D591-L595 WeakPolarHBondContact O-CG 3.28Å; D591-L595 PolarHBondContact O-N 2.98Å; D591-L595 VanDerWaalsContact O-N 3.13Å; D591-R624 IonicContact OD1-CZ 2.79Å; D591-R624 IonicContact OD1-NE 3.3Å; D591-R624 PolarHBondContact OD1-NE 3.12Å; D591-R624 IonicContact OD1-NH2 2.92Å; D591-R624 PolarHBondContact OD1-NH2 3.28Å; D591-R624 IonicContact OD2-CZ 3.91Å; D591-R624 IonicContact OD2-NE 3.86Å; D591-R624 IonicContact OD2-NH2 2.9Å; D591-R624 PolarHBondContact OD2-NH2 3.13Å; D591-L631 HydrophobicContact CB-CD1 4.01Å; D591-L631 WeakPolarHBondContact OD1-CD1 3.36Å |
| 592 | E | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.8 | -171.3 | 76.3 | 160 | 0 | 0 | 111.4 | G571 S573 G574 K575 L577 E588 A594 L595 T596 | G571-E592 WeakPolarHBondContact CA-OE1 3.45Å; S573-E592 WeakPolarHBondContact CA-OE1 3.4Å; S573-E592 WeakPolarHBondContact CB-OE2 3.3Å; S573-E592 PolarHBondContact N-OE1 2.56Å; S573-E592 PolarHBondContact OG-OE2 3.16Å; G574-E592 PolarHBondContact N-OE1 2.89Å; K575-E592 HydrophobicContact CB-CB 4.16Å; K575-E592 HydrophobicContact CB-CG 3.8Å; K575-E592 PolarHBondContact N-OE1 3.16Å; K575-E592 VanDerWaalsContact N-OE1 3.15Å; L577-E592 HydrophobicContact CD2-CB 4.09Å; L577-E592 HydrophobicContact CD2-CG 3.83Å; L577-E592 HydrophobicContact CG-CG 4.38Å; E588-E592 WeakPolarHBondContact O-CB 3.5Å; E588-E592 PolarHBondContact O-N 2.86Å; E592-A594 VanDerWaalsContact C-N 3.31Å; E592-A594 PolarHBondContact O-N 2.77Å; E592-L595 PolarHBondContact O-N 2.74Å; E592-L595 VanDerWaalsContact O-N 3.15Å; E592-T596 PolarHBondContact O-N 2.96Å; E592-T596 PolarHBondContact O-OG1 2.92Å; E592-T596 VanDerWaalsContact O-OG1 3.05Å |
| 593 | L | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 177.3 | -179.8 | 60.8 | 0 | 0 | 0 | 112.3 | L577 F589 D591 T596 L597 L612 L621 W625 V702 L771 | L577-L593 HydrophobicContact CD2-CB 4.23Å; F589-L593 HydrophobicContact CE1-CD2 4.09Å; F589-L593 HydrophobicContact CZ-CD2 4.18Å; F589-L593 VanDerWaalsContact O-CB 3.29Å; F589-L593 WeakPolarHBondContact O-CB 3.32Å; F589-L593 PolarHBondContact O-N 3.33Å; D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 3.5Å; L593-T596 PolarHBondContact O-N 3.4Å; L593-L597 HydrophobicContact CD1-CD1 4.37Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 4.22Å; L593-L597 HydrophobicContact CG-CG 4.48Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.43Å; L593-L597 PolarHBondContact O-N 3.47Å; L593-L612 HydrophobicContact CD2-CD2 4.34Å; L593-L621 HydrophobicContact CD2-CD1 3.78Å; L593-L621 HydrophobicContact CD2-CD2 4.18Å; L593-W625 HydrophobicContact CB-CZ2 4.35Å; L593-W625 HydrophobicContact CD2-CH2 4.37Å; L593-W625 HydrophobicContact CD2-CZ2 4.09Å; L593-W625 HydrophobicContact CG-CH2 4.45Å; L593-W625 HydrophobicContact CG-CZ2 4.06Å; L593-V702 HydrophobicContact CD1-CG1 4.28Å; L593-V702 HydrophobicContact CD1-CG2 3.77Å; L593-V702 HydrophobicContact CD2-CG1 3.89Å; L593-V702 HydrophobicContact CD2-CG2 4.19Å; L593-L771 HydrophobicContact CD1-CD1 3.8Å |
| 594 | A | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q590 D591 E592 L597 S598 W625 L631 M635 | Q590-A594 PolarHBondContact O-N 3.37Å; D591-A594 PolarHBondContact O-N 3.48Å; E592-A594 VanDerWaalsContact C-N 3.31Å; E592-A594 PolarHBondContact O-N 2.77Å; A594-L597 PolarHBondContact O-N 3.07Å; A594-S598 VanDerWaalsContact O-CB 3.3Å; A594-S598 WeakPolarHBondContact O-CB 3.38Å; A594-S598 PolarHBondContact O-N 2.98Å; A594-W625 HydrophobicContact CB-CD2 4.18Å; A594-W625 HydrophobicContact CB-CG 4.18Å; A594-W625 HydrophobicContact CB-CZ2 4.24Å; A594-L631 HydrophobicContact CB-CB 4.23Å; A594-L631 HydrophobicContact CB-CD1 4.18Å; A594-L631 HydrophobicContact CB-CD2 4.2Å; A594-L631 HydrophobicContact CB-CG 4.45Å; A594-M635 HydrophobicContact CB-SD 4.08Å |
| 595 | L | 96.5 | Very high | 96.1 | Very high | 45 Ų | 45 | 33 Ų | 33 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.3 | -64.6 | 174.5 | 0 | 0 | 0 | 111.2 | P572 D591 E592 S598 A599 L631 | P572-L595 HydrophobicContact CG-CB 3.99Å; D591-L595 WeakPolarHBondContact O-CG 3.28Å; D591-L595 PolarHBondContact O-N 2.98Å; D591-L595 VanDerWaalsContact O-N 3.13Å; E592-L595 PolarHBondContact O-N 2.74Å; E592-L595 VanDerWaalsContact O-N 3.15Å; L595-S598 PolarHBondContact O-N 2.98Å; L595-A599 WeakPolarHBondContact O-CB 3.08Å; L595-A599 PolarHBondContact O-N 3.16Å; L595-L631 HydrophobicContact CD2-CD2 3.79Å; L595-L631 HydrophobicContact CG-CD2 4.14Å |
| 596 | T | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -51.5 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | P572 L577 E592 L593 S598 A599 I600 L771 F798 | P572-T596 WeakPolarHBondContact CD-OG1 3.47Å; L577-T596 HydrophobicContact CD1-CG2 4.02Å; E592-T596 PolarHBondContact O-N 2.96Å; E592-T596 PolarHBondContact O-OG1 2.92Å; E592-T596 VanDerWaalsContact O-OG1 3.05Å; L593-T596 PolarHBondContact O-N 3.4Å; T596-S598 VanDerWaalsContact C-N 3.34Å; T596-S598 PolarHBondContact O-N 3.34Å; T596-A599 PolarHBondContact O-N 3.2Å; T596-I600 HydrophobicContact CG2-CD1 3.89Å; T596-I600 WeakPolarHBondContact O-CG1 3.19Å; T596-I600 PolarHBondContact O-N 3.34Å; T596-L771 HydrophobicContact CG2-CD1 3.58Å; T596-L771 HydrophobicContact CG2-CD2 3.84Å; T596-L771 HydrophobicContact CG2-CG 4.37Å; T596-F798 HydrophobicContact CG2-CD2 4.42Å; T596-F798 HydrophobicContact CG2-CE2 3.73Å; T596-F798 HydrophobicContact CG2-CZ 4.39Å |
| 597 | L | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 179.4 | -72.1 | 175.3 | 0 | 0 | 0 | 111.8 | L593 A594 A599 I600 C601 C610 W625 M635 L678 V700 L771 | L593-L597 HydrophobicContact CD1-CD1 4.37Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 4.22Å; L593-L597 HydrophobicContact CG-CG 4.48Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.43Å; L593-L597 PolarHBondContact O-N 3.47Å; A594-L597 PolarHBondContact O-N 3.07Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.12Å; L597-I600 PolarHBondContact O-N 3.14Å; L597-C601 VanDerWaalsContact O-CB 3.3Å; L597-C601 WeakPolarHBondContact O-CB 3.36Å; L597-C601 PolarHBondContact O-N 3.49Å; L597-C601 PolarHBondContact O-SG 3.42Å; L597-C610 HydrophobicContact CD2-CB 4.39Å; L597-W625 HydrophobicContact CD1-CH2 3.67Å; L597-W625 HydrophobicContact CD1-CZ2 4.42Å; L597-W625 HydrophobicContact CD1-CZ3 4.28Å; L597-M635 HydrophobicContact CB-CE 4.06Å; L597-M635 HydrophobicContact CD1-CE 4.19Å; L597-L678 HydrophobicContact CD1-CD2 4.42Å; L597-V700 HydrophobicContact CD2-CB 4.34Å; L597-V700 HydrophobicContact CD2-CG1 3.84Å; L597-L771 HydrophobicContact CD2-CD1 4.44Å |
| 598 | S | 95.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 13% | 0.133 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 176.6 | -173 | 0 | 0 | 0 | 0 | 111.9 | A594 L595 T596 C601 K602 | A594-S598 VanDerWaalsContact O-CB 3.3Å; A594-S598 WeakPolarHBondContact O-CB 3.38Å; A594-S598 PolarHBondContact O-N 2.98Å; L595-S598 PolarHBondContact O-N 2.98Å; T596-S598 VanDerWaalsContact C-N 3.34Å; T596-S598 PolarHBondContact O-N 3.34Å; S598-C601 PolarHBondContact O-N 2.91Å; S598-K602 PolarHBondContact O-N 2.99Å; S598-K602 VanDerWaalsContact O-N 3.13Å |
| 599 | A | 96.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 22% | 0.215 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L595 T596 L597 C601 K602 F798 M802 | L595-A599 WeakPolarHBondContact O-CB 3.08Å; L595-A599 PolarHBondContact O-N 3.16Å; T596-A599 PolarHBondContact O-N 3.2Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.12Å; A599-C601 PolarHBondContact O-N 3.4Å; A599-K602 WeakPolarHBondContact O-CB 3.37Å; A599-K602 PolarHBondContact O-N 3.4Å; A599-F798 HydrophobicContact CB-CE1 3.83Å; A599-F798 HydrophobicContact CB-CZ 3.66Å; A599-M802 HydrophobicContact CB-CE 4.37Å; A599-M802 VanDerWaalsContact O-CE 3.31Å; A599-M802 WeakPolarHBondContact O-CE 3.49Å |
| 600 | I | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.2 | -67.1 | 165.6 | 0 | 0 | 0 | 110.7 | T596 L597 K602 V603 I604 V700 I769 L771 M801 M802 | T596-I600 HydrophobicContact CG2-CD1 3.89Å; T596-I600 WeakPolarHBondContact O-CG1 3.19Å; T596-I600 PolarHBondContact O-N 3.34Å; L597-I600 PolarHBondContact O-N 3.14Å; I600-K602 PolarHBondContact O-N 3.27Å; I600-V603 PolarHBondContact O-N 2.76Å; I600-V603 VanDerWaalsContact O-N 3.09Å; I600-I604 HydrophobicContact CG2-CG1 3.9Å; I600-I604 WeakPolarHBondContact O-CG1 3.3Å; I600-I604 PolarHBondContact O-N 3.32Å; I600-V700 HydrophobicContact CD1-CG1 4.47Å; I600-V700 HydrophobicContact CD1-CG2 4.41Å; I600-V700 HydrophobicContact CG2-CG2 4.11Å; I600-I769 HydrophobicContact CD1-CD1 4.29Å; I600-I769 HydrophobicContact CD1-CG2 3.99Å; I600-I769 HydrophobicContact CG1-CD1 4.35Å; I600-I769 HydrophobicContact CG2-CD1 3.67Å; I600-L771 HydrophobicContact CD1-CD1 4.34Å; I600-L771 HydrophobicContact CD1-CD2 4.35Å; I600-M801 HydrophobicContact CD1-CE 4.49Å; I600-M801 HydrophobicContact CG1-CE 4.45Å; I600-M802 HydrophobicContact CG1-SD 4.02Å |
| 601 | C | 96 | Very high | 96.6 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.6 | -23.5 | -179.2 | -70.8 | 0 | 0 | 0 | 0 | 113.7 | L597 S598 A599 Q638 K639 | L597-C601 VanDerWaalsContact O-CB 3.3Å; L597-C601 WeakPolarHBondContact O-CB 3.36Å; L597-C601 PolarHBondContact O-N 3.49Å; L597-C601 PolarHBondContact O-SG 3.42Å; S598-C601 PolarHBondContact O-N 2.91Å; A599-C601 PolarHBondContact O-N 3.4Å; C601-Q638 HydrophobicContact CB-CB 4.38Å; C601-K639 HydrophobicContact CB-CD 3.89Å; C601-K639 HydrophobicContact CB-CG 4.17Å; C601-K639 VanDerWaalsContact O-CE 3.25Å; C601-K639 WeakPolarHBondContact O-CE 3.4Å |
| 602 | K | 94.2 | Very high | 96.6 | Very high | 154 Ų | 154 | 15.5 Ų | 15.5 | 67% | 0.67 | 8% | 0.083 | S | C | * | . | H | α-helix | trans | -70.8 | -33.4 | 174.5 | -174.5 | 180 | 177 | -174.5 | 0 | 112.1 | S598 A599 I600 | S598-K602 PolarHBondContact O-N 2.99Å; S598-K602 VanDerWaalsContact O-N 3.13Å; A599-K602 WeakPolarHBondContact O-CB 3.37Å; A599-K602 PolarHBondContact O-N 3.4Å; I600-K602 PolarHBondContact O-N 3.27Å |
| 603 | V | 95.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 17.1 Ų | 17.1 | 21% | 0.206 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -87.2 | -43.5 | -179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I600 M802 L805 S806 V809 | I600-V603 PolarHBondContact O-N 2.76Å; I600-V603 VanDerWaalsContact O-N 3.09Å; V603-M802 HydrophobicContact CB-CE 4.12Å; V603-M802 HydrophobicContact CG2-CE 3.42Å; V603-M802 VanDerWaalsContact CG2-CE 3.42Å; V603-L805 HydrophobicContact CG1-CD2 4.4Å; V603-L805 HydrophobicContact CG1-CG 4.09Å; V603-S806 WeakPolarHBondContact CG2-OG 3.46Å; V603-V809 HydrophobicContact CG1-CB 4.26Å; V603-V809 HydrophobicContact CG1-CG2 4.07Å |
| 604 | I | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -77.3 | 125.2 | -176.2 | -59.1 | -60.7 | 0 | 0 | 0 | 111.2 | I600 V608 K639 R697 A698 A767 L805 V809 | I600-I604 HydrophobicContact CG2-CG1 3.9Å; I600-I604 WeakPolarHBondContact O-CG1 3.3Å; I600-I604 PolarHBondContact O-N 3.32Å; I604-V608 HydrophobicContact CB-CG2 3.93Å; I604-V608 HydrophobicContact CG2-CG2 3.54Å; I604-K639 WeakPolarHBondContact O-CE 3.35Å; I604-K639 PolarHBondContact O-NZ 3.45Å; I604-R697 HydrophobicContact CG2-CB 3.79Å; I604-A698 HydrophobicContact CB-CB 4.43Å; I604-A698 HydrophobicContact CD1-CB 4.05Å; I604-A698 HydrophobicContact CG1-CB 3.85Å; I604-A698 HydrophobicContact CG2-CB 3.83Å; I604-A767 HydrophobicContact CD1-CB 4.09Å; I604-L805 HydrophobicContact CD1-CD1 3.83Å; I604-L805 HydrophobicContact CD1-CD2 4.15Å; I604-L805 HydrophobicContact CD1-CG 4.18Å; I604-L805 HydrophobicContact CG1-CD2 4.48Å; I604-V809 HydrophobicContact CD1-CG2 3.7Å |
| 605 | P | 93.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 22 Ų | 22 | 13% | 0.13 | 12% | 0.12 | C | C | . | . | trans | -74.4 | 163.5 | 172.4 | 31.9 | -35.6 | 0 | 0 | 0 | 112.1 | G607 R697 W765 V809 E813 | P605-G607 PolarHBondContact O-N 3.49Å; P605-R697 HydrophobicContact CG-CG 4.48Å; P605-W765 HydrophobicContact CG-CH2 3.92Å; P605-W765 HydrophobicContact CG-CZ2 4.22Å; P605-V809 HydrophobicContact CG-CG1 4.42Å; P605-E813 HydrophobicContact CG-CG 4.26Å | ||
| 606 | D | 94.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 9% | 0.086 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.1 | -129.6 | 170.5 | -59.7 | -42.3 | 0 | 0 | 0 | 114.2 | K639 I662 S665 T673 G674 A675 R694 R697 | D606-K639 PolarHBondContact O-NZ 3.05Å; D606-I662 HydrophobicContact CB-CG2 4.06Å; D606-S665 PolarHBondContact OD1-OG 2.76Å; D606-T673 VanDerWaalsContact CA-O 3.29Å; D606-T673 WeakPolarHBondContact CA-O 3.31Å; D606-T673 PolarHBondContact N-O 2.78Å; D606-G674 WeakPolarHBondContact O-CA 3.5Å; D606-A675 PolarHBondContact O-N 3.11Å; D606-A675 VanDerWaalsContact O-N 3.14Å; D606-R694 HydrophobicContact CB-CB 4.04Å; D606-R694 WeakPolarHBondContact CB-O 3.46Å; D606-R694 IonicContact OD1-CZ 3.9Å; D606-R694 IonicContact OD1-NE 3.1Å; D606-R694 PolarHBondContact OD1-NE 3.02Å; D606-R694 IonicContact OD1-NH2 3.34Å; D606-R694 PolarHBondContact OD1-NH2 3.49Å; D606-R694 WeakPolarHBondContact OD2-CB 3.33Å; D606-R694 VanDerWaalsContact OD2-CG 3.25Å; D606-R694 WeakPolarHBondContact OD2-CG 3.37Å; D606-R694 IonicContact OD2-CZ 3.7Å; D606-R694 IonicContact OD2-NE 3.37Å; D606-R694 PolarHBondContact OD2-NE 3.23Å; D606-R694 IonicContact OD2-NH2 3.42Å; D606-R697 HydrophobicContact CB-CG 4.28Å |
| 607 | G | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 133.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P605 I662 A675 R694 A696 R697 A698 | P605-G607 PolarHBondContact O-N 3.49Å; G607-I662 VanDerWaalsContact CA-CD1 3.5Å; G607-A675 CarbonylContact C-O 3.55Å; G607-A675 WeakPolarHBondContact CA-O 3.37Å; G607-R694 PolarHBondContact N-O 3.41Å; G607-A696 CarbonylContact O-C 3.48Å; G607-A696 WeakPolarHBondContact O-CA 3.5Å; G607-R697 PolarHBondContact O-N 2.86Å; G607-A698 PolarHBondContact O-N 2.96Å |
| 608 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.4 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 109 | I604 K639 A675 L676 L677 A698 V700 | I604-V608 HydrophobicContact CB-CG2 3.93Å; I604-V608 HydrophobicContact CG2-CG2 3.54Å; V608-K639 HydrophobicContact CB-CD 4.5Å; V608-K639 HydrophobicContact CG2-CD 4.06Å; V608-A675 PolarHBondContact N-O 3.5Å; V608-L676 HydrophobicContact CB-CD1 3.92Å; V608-L676 HydrophobicContact CG1-CD1 3.69Å; V608-L676 CarbonylContact O-C 3.59Å; V608-L676 WeakPolarHBondContact O-CA 3.42Å; V608-L677 PolarHBondContact O-N 3.27Å; V608-A698 HydrophobicContact CG1-CB 4.35Å; V608-A698 HydrophobicContact CG2-CB 4.37Å; V608-V700 HydrophobicContact CG1-CG2 3.94Å |
| 609 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.7 | 173 | -53.7 | -179 | 0 | 0 | 0 | 108.8 | F611 F658 L677 F691 A696 A698 V699 V700 R757 | L609-F611 HydrophobicContact CB-CE2 3.91Å; L609-F611 HydrophobicContact CB-CZ 4.4Å; L609-F611 HydrophobicContact CD1-CE2 4.4Å; L609-F611 HydrophobicContact CD1-CZ 4.44Å; L609-F658 HydrophobicContact CD2-CE1 4.4Å; L609-F658 HydrophobicContact CD2-CE2 4.45Å; L609-F658 HydrophobicContact CD2-CZ 3.84Å; L609-L677 HydrophobicContact CD2-CB 3.95Å; L609-L677 HydrophobicContact CD2-CD2 4.11Å; L609-F691 HydrophobicContact CD1-CB 4.22Å; L609-F691 HydrophobicContact CD1-CD1 4.24Å; L609-F691 HydrophobicContact CD1-CD2 3.59Å; L609-F691 HydrophobicContact CD1-CE2 3.91Å; L609-F691 HydrophobicContact CD1-CG 3.77Å; L609-F691 HydrophobicContact CD1-CZ 4.39Å; L609-F691 HydrophobicContact CD2-CD1 4.11Å; L609-F691 HydrophobicContact CD2-CE1 3.93Å; L609-F691 HydrophobicContact CD2-CE2 4.47Å; L609-F691 HydrophobicContact CD2-CG 4.47Å; L609-F691 HydrophobicContact CD2-CZ 4.13Å; L609-A696 HydrophobicContact CD1-CB 3.87Å; L609-A696 HydrophobicContact CG-CB 4Å; L609-A698 PolarHBondContact N-O 2.89Å; L609-V699 HydrophobicContact CB-CG2 4.36Å; L609-V699 HydrophobicContact CD1-CG2 4.38Å; L609-V699 CarbonylContact O-C 3.51Å; L609-V699 WeakPolarHBondContact O-CA 3.41Å; L609-V700 PolarHBondContact O-N 3.07Å; L609-R757 HydrophobicContact CD1-CB 3.94Å |
| 610 | C | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.5 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L597 L676 L677 L678 A679 V700 | L597-C610 HydrophobicContact CD2-CB 4.39Å; C610-L676 HydrophobicContact CB-CD1 3.95Å; C610-L677 PolarHBondContact N-O 3.28Å; C610-L678 HydrophobicContact CB-CD2 3.79Å; C610-A679 PolarHBondContact O-N 3.36Å; C610-V700 CarbonylContact C-O 3.59Å; C610-V700 VanDerWaalsContact CA-O 3.23Å; C610-V700 WeakPolarHBondContact CA-O 3.42Å; C610-V700 HydrophobicContact CB-CB 4.34Å |
| 611 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.9 | -178.8 | -66.9 | -81.5 | 0 | 0 | 0 | 112 | L609 A679 Y681 V685 A686 V699 V700 V702 A754 R757 | L609-F611 HydrophobicContact CB-CE2 3.91Å; L609-F611 HydrophobicContact CB-CZ 4.4Å; L609-F611 HydrophobicContact CD1-CE2 4.4Å; L609-F611 HydrophobicContact CD1-CZ 4.44Å; F611-A679 CarbonylContact C-O 3.48Å; F611-A679 WeakPolarHBondContact CA-O 3.47Å; F611-A679 HydrophobicContact CD1-CB 3.77Å; F611-A679 HydrophobicContact CE1-CB 3.73Å; F611-Y681 HydrophobicContact CB-CD1 3.93Å; F611-Y681 HydrophobicContact CB-CD2 4.36Å; F611-Y681 HydrophobicContact CB-CE1 3.74Å; F611-Y681 HydrophobicContact CB-CE2 4.22Å; F611-Y681 HydrophobicContact CB-CG 4.25Å; F611-Y681 WeakPolarHBondContact O-CE2 3.48Å; F611-Y681 PolarHBondContact O-OH 3.38Å; F611-V685 HydrophobicContact CE1-CB 4.49Å; F611-V685 HydrophobicContact CE1-CG1 4.07Å; F611-V685 HydrophobicContact CZ-CG1 4.17Å; F611-A686 HydrophobicContact CD1-CB 4.2Å; F611-A686 HydrophobicContact CE1-CB 3.69Å; F611-A686 HydrophobicContact CZ-CB 4.48Å; F611-V699 HydrophobicContact CD2-CG1 3.76Å; F611-V699 HydrophobicContact CE2-CG1 3.85Å; F611-V700 PolarHBondContact N-O 3.39Å; F611-V702 PolarHBondContact O-N 3.29Å; F611-A754 HydrophobicContact CB-CB 4.31Å; F611-A754 HydrophobicContact CD1-CB 4.29Å; F611-A754 HydrophobicContact CD2-CB 3.67Å; F611-A754 HydrophobicContact CE2-CB 3.98Å; F611-A754 HydrophobicContact CG-CB 3.82Å; F611-A754 HydrophobicContact CZ-CB 4.43Å; F611-R757 HydrophobicContact CE2-CG 4.26Å; F611-R757 HydrophobicContact CZ-CG 4.02Å |
| 612 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.2 | -177.5 | -71 | 154 | 0 | 0 | 0 | 111.3 | L593 S614 L617 L618 L621 A679 V680 Y681 V702 | L593-L612 HydrophobicContact CD2-CD2 4.34Å; L612-S614 VanDerWaalsContact C-N 3.29Å; L612-S614 PolarHBondContact O-N 3.08Å; L612-L617 HydrophobicContact CD2-CD2 4.2Å; L612-L618 HydrophobicContact CD1-CB 4.09Å; L612-L618 HydrophobicContact CD1-CD1 3.48Å; L612-L618 VanDerWaalsContact CD1-CD1 3.48Å; L612-L618 HydrophobicContact CD1-CG 4.36Å; L612-L621 HydrophobicContact CD1-CD1 4.21Å; L612-L621 HydrophobicContact CD2-CD1 3.48Å; L612-L621 VanDerWaalsContact CD2-CD1 3.48Å; L612-L621 HydrophobicContact CG-CD1 4.5Å; L612-A679 PolarHBondContact N-O 2.88Å; L612-V680 VanDerWaalsContact O-CA 3.32Å; L612-V680 WeakPolarHBondContact O-CA 3.44Å; L612-Y681 WeakPolarHBondContact O-CD2 3.28Å; L612-Y681 PolarHBondContact O-N 3.48Å; L612-Y681 VanDerWaalsContact O-N 3.08Å; L612-V702 HydrophobicContact CD2-CB 3.8Å; L612-V702 HydrophobicContact CD2-CG1 3.94Å; L612-V702 HydrophobicContact CD2-CG2 4Å |
| 613 | P | 95 | Very high | 95.8 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 26% | 0.26 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -58.6 | -27.8 | -175.4 | -29.7 | 38.5 | 0 | 0 | 0 | 116.5 | L617 Y681 V702 | P613-L617 HydrophobicContact CG-CD2 4.45Å; P613-Y681 HydrophobicContact CG-CE2 4.16Å; P613-V702 VanDerWaalsContact CD-O 3.3Å; P613-V702 WeakPolarHBondContact CD-O 3.5Å; P613-V702 WeakPolarHBondContact CG-O 3.39Å |
| 614 | S | 93.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 34% | 0.343 | 16% | 0.16 | S | C | . | . | trans | -159.2 | 155.9 | -177.6 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | L612 R616 L617 L618 | L612-S614 VanDerWaalsContact C-N 3.29Å; L612-S614 PolarHBondContact O-N 3.08Å; S614-R616 PolarHBondContact O-N 3.44Å; S614-L617 PolarHBondContact O-N 3.49Å; S614-L617 PolarHBondContact OG-N 3.42Å; S614-L618 PolarHBondContact O-N 3.41Å | ||
| 615 | Y | 93.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 22% | 0.216 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 171.8 | -73.2 | -75.9 | 0 | 0 | 0 | 112.6 | L617 L618 E619 E644 R646 V680 | Y615-L617 PolarHBondContact O-N 3.41Å; Y615-L618 HydrophobicContact CD1-CD2 4.16Å; Y615-L618 WeakPolarHBondContact O-CB 3.41Å; Y615-L618 PolarHBondContact O-N 3.35Å; Y615-E619 WeakPolarHBondContact O-CG 3.3Å; Y615-E619 PolarHBondContact O-N 3.06Å; Y615-E644 HydrophobicContact CE1-CG 4.25Å; Y615-E644 PolarHBondContact OH-OE1 2.91Å; Y615-R646 HydrophobicContact CD1-CG 3.87Å; Y615-R646 HydrophobicContact CE1-CG 4.29Å; Y615-R646 HydrophobicContact CG-CG 4.09Å; Y615-V680 HydrophobicContact CD1-CG2 3.6Å; Y615-V680 HydrophobicContact CD2-CB 4.42Å; Y615-V680 HydrophobicContact CD2-CG1 4.3Å; Y615-V680 HydrophobicContact CD2-CG2 4.1Å; Y615-V680 HydrophobicContact CE1-CB 4.32Å; Y615-V680 HydrophobicContact CE1-CG2 3.74Å; Y615-V680 HydrophobicContact CE2-CB 4.23Å; Y615-V680 HydrophobicContact CE2-CG1 4.35Å; Y615-V680 HydrophobicContact CE2-CG2 4.25Å; Y615-V680 HydrophobicContact CG-CG2 3.79Å |
| 616 | R | 92.6 | Very high | 95.9 | Very high | 165 Ų | 165 | 38.5 Ų | 38.5 | 62% | 0.623 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.4 | -44.1 | 176 | -180 | 178.1 | 173.2 | 174.9 | -2.8 | 111.6 | S614 K620 | S614-R616 PolarHBondContact O-N 3.44Å; R616-K620 WeakPolarHBondContact O-CB 3.46Å; R616-K620 PolarHBondContact O-N 2.82Å; R616-K620 VanDerWaalsContact O-N 3.17Å |
| 617 | L | 94.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 176.2 | -178.7 | 60.5 | 0 | 0 | 0 | 111.1 | V584 L612 P613 S614 Y615 E619 K620 L621 | V584-L617 HydrophobicContact CB-CD1 3.74Å; V584-L617 HydrophobicContact CG1-CD1 4.17Å; V584-L617 HydrophobicContact CG1-CD2 4.03Å; V584-L617 HydrophobicContact CG2-CD1 4.27Å; L612-L617 HydrophobicContact CD2-CD2 4.2Å; P613-L617 HydrophobicContact CG-CD2 4.45Å; S614-L617 PolarHBondContact O-N 3.49Å; S614-L617 PolarHBondContact OG-N 3.42Å; Y615-L617 PolarHBondContact O-N 3.41Å; L617-E619 PolarHBondContact O-N 3.35Å; L617-K620 PolarHBondContact O-N 3.09Å; L617-L621 HydrophobicContact CD1-CD1 4.09Å; L617-L621 HydrophobicContact CD1-CG 3.99Å; L617-L621 HydrophobicContact CD2-CD1 4.28Å; L617-L621 HydrophobicContact CG-CD1 3.77Å; L617-L621 HydrophobicContact CG-CG 4.16Å; L617-L621 WeakPolarHBondContact O-CB 3.49Å; L617-L621 WeakPolarHBondContact O-CG 3.36Å; L617-L621 PolarHBondContact O-N 3.5Å |
| 618 | L | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -50.8 | 177.9 | 172.6 | 61 | 0 | 0 | 0 | 111.7 | L612 S614 Y615 K620 L621 V622 V643 L678 V680 | L612-L618 HydrophobicContact CD1-CB 4.09Å; L612-L618 HydrophobicContact CD1-CD1 3.48Å; L612-L618 VanDerWaalsContact CD1-CD1 3.48Å; L612-L618 HydrophobicContact CD1-CG 4.36Å; S614-L618 PolarHBondContact O-N 3.41Å; Y615-L618 HydrophobicContact CD1-CD2 4.16Å; Y615-L618 WeakPolarHBondContact O-CB 3.41Å; Y615-L618 PolarHBondContact O-N 3.35Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.85Å; L618-L621 PolarHBondContact O-N 3.15Å; L618-V622 HydrophobicContact CD1-CG2 3.94Å; L618-V622 WeakPolarHBondContact O-CB 3.2Å; L618-V622 VanDerWaalsContact O-CG2 3.24Å; L618-V622 WeakPolarHBondContact O-CG2 3.45Å; L618-V622 PolarHBondContact O-N 2.68Å; L618-V643 HydrophobicContact CD1-CG1 4.04Å; L618-V643 HydrophobicContact CD2-CG1 3.79Å; L618-V643 HydrophobicContact CG-CG1 3.96Å; L618-L678 HydrophobicContact CD1-CB 3.58Å; L618-L678 HydrophobicContact CD1-CD1 4.18Å; L618-V680 HydrophobicContact CB-CG2 4.43Å; L618-V680 HydrophobicContact CD2-CG2 3.85Å |
| 619 | E | 95.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.1 | -75 | 162.7 | -166.1 | 0 | 0 | 112.6 | Y615 L617 K623 R646 | Y615-E619 WeakPolarHBondContact O-CG 3.3Å; Y615-E619 PolarHBondContact O-N 3.06Å; L617-E619 PolarHBondContact O-N 3.35Å; E619-K623 VanDerWaalsContact O-CB 3.22Å; E619-K623 WeakPolarHBondContact O-CB 3.45Å; E619-K623 PolarHBondContact O-N 2.69Å; E619-R646 IonicContact OE1-CZ 3.74Å; E619-R646 IonicContact OE1-NE 3.67Å; E619-R646 PolarHBondContact OE1-NE 3.3Å; E619-R646 IonicContact OE1-NH2 2.84Å; E619-R646 PolarHBondContact OE1-NH2 2.89Å; E619-R646 IonicContact OE2-CZ 3.91Å; E619-R646 IonicContact OE2-NH2 3.49Å; E619-R646 PolarHBondContact OE2-NH2 3Å |
| 620 | K | 95.5 | Very high | 94.2 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.5 | -171.8 | 170.9 | -179.7 | 175.7 | 0 | 111.6 | D585 R616 L617 L618 R624 | D585-K620 IonicContact OD1-NZ 3.41Å; D585-K620 PolarHBondContact OD1-NZ 2.99Å; D585-K620 IonicContact OD2-NZ 2.85Å; R616-K620 WeakPolarHBondContact O-CB 3.46Å; R616-K620 PolarHBondContact O-N 2.82Å; R616-K620 VanDerWaalsContact O-N 3.17Å; L617-K620 PolarHBondContact O-N 3.09Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.85Å; K620-R624 WeakPolarHBondContact O-CB 3.44Å; K620-R624 PolarHBondContact O-N 3.01Å |
| 621 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 176.7 | -71.2 | 170.8 | 0 | 0 | 0 | 111.5 | Q590 L593 L612 L617 L618 K623 R624 W625 | Q590-L621 HydrophobicContact CB-CD2 3.81Å; Q590-L621 HydrophobicContact CG-CD2 3.63Å; L593-L621 HydrophobicContact CD2-CD1 3.78Å; L593-L621 HydrophobicContact CD2-CD2 4.18Å; L612-L621 HydrophobicContact CD1-CD1 4.21Å; L612-L621 HydrophobicContact CD2-CD1 3.48Å; L612-L621 VanDerWaalsContact CD2-CD1 3.48Å; L612-L621 HydrophobicContact CG-CD1 4.5Å; L617-L621 HydrophobicContact CD1-CD1 4.09Å; L617-L621 HydrophobicContact CD1-CG 3.99Å; L617-L621 HydrophobicContact CD2-CD1 4.28Å; L617-L621 HydrophobicContact CG-CD1 3.77Å; L617-L621 HydrophobicContact CG-CG 4.16Å; L617-L621 WeakPolarHBondContact O-CB 3.49Å; L617-L621 WeakPolarHBondContact O-CG 3.36Å; L617-L621 PolarHBondContact O-N 3.5Å; L618-L621 PolarHBondContact O-N 3.15Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 2.83Å; L621-R624 PolarHBondContact O-N 3.11Å; L621-W625 HydrophobicContact CB-CD2 4.27Å; L621-W625 HydrophobicContact CB-CE3 4.37Å; L621-W625 HydrophobicContact CB-CH2 3.92Å; L621-W625 HydrophobicContact CB-CZ2 3.8Å; L621-W625 HydrophobicContact CB-CZ3 4.2Å; L621-W625 HydrophobicContact CD1-CH2 4.13Å; L621-W625 HydrophobicContact CD1-CZ2 4.15Å; L621-W625 HydrophobicContact CD2-CH2 4.47Å; L621-W625 HydrophobicContact CD2-CZ2 3.7Å; L621-W625 HydrophobicContact CG-CH2 4.41Å; L621-W625 HydrophobicContact CG-CZ2 4.1Å; L621-W625 WeakPolarHBondContact O-CB 3.32Å; L621-W625 VanDerWaalsContact O-CD2 3.27Å; L621-W625 PolarHBondContact O-N 3.4Å |
| 622 | V | 96.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 179 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | L618 W625 Q626 W632 V643 L678 | L618-V622 HydrophobicContact CD1-CG2 3.94Å; L618-V622 WeakPolarHBondContact O-CB 3.2Å; L618-V622 VanDerWaalsContact O-CG2 3.24Å; L618-V622 WeakPolarHBondContact O-CG2 3.45Å; L618-V622 PolarHBondContact O-N 2.68Å; V622-W625 PolarHBondContact O-N 2.76Å; V622-Q626 HydrophobicContact CG1-CG 4.35Å; V622-Q626 WeakPolarHBondContact O-CB 3.33Å; V622-Q626 VanDerWaalsContact O-CG 3.26Å; V622-Q626 WeakPolarHBondContact O-CG 3.38Å; V622-Q626 PolarHBondContact O-N 2.73Å; V622-W632 HydrophobicContact CG1-CH2 4.25Å; V622-W632 HydrophobicContact CG1-CZ3 4.11Å; V622-V643 HydrophobicContact CG1-CG2 4.37Å; V622-V643 HydrophobicContact CG2-CG1 4.45Å; V622-V643 HydrophobicContact CG2-CG2 3.7Å; V622-L678 HydrophobicContact CG2-CD1 3.94Å |
| 623 | K | 95.5 | Very high | 93.2 | Very high | 136 Ų | 136 | 62.4 Ų | 62.4 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.6 | -52.2 | 175.5 | -177.3 | 178.1 | 178.7 | -179.1 | 0 | 111.5 | E619 L621 W625 Q626 D627 | E619-K623 VanDerWaalsContact O-CB 3.22Å; E619-K623 WeakPolarHBondContact O-CB 3.45Å; E619-K623 PolarHBondContact O-N 2.69Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 2.83Å; K623-W625 VanDerWaalsContact C-N 3.31Å; K623-W625 PolarHBondContact O-N 2.84Å; K623-Q626 PolarHBondContact O-N 3.26Å; K623-D627 WeakPolarHBondContact O-CB 3.19Å; K623-D627 PolarHBondContact O-N 3.27Å |
| 624 | R | 95.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 21% | 0.211 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.3 | -44.6 | 179.1 | 173.5 | 63.3 | 179.4 | -175.4 | 2.1 | 112.2 | F587 Q590 D591 K620 L621 T628 | F587-R624 VanDerWaalsContact CG-CZ 3.47Å; Q590-R624 HydrophobicContact CB-CG 3.95Å; Q590-R624 VanDerWaalsContact OE1-CG 3.27Å; D591-R624 IonicContact OD1-CZ 2.79Å; D591-R624 IonicContact OD1-NE 3.3Å; D591-R624 PolarHBondContact OD1-NE 3.12Å; D591-R624 IonicContact OD1-NH2 2.92Å; D591-R624 PolarHBondContact OD1-NH2 3.28Å; D591-R624 IonicContact OD2-CZ 3.91Å; D591-R624 IonicContact OD2-NE 3.86Å; D591-R624 IonicContact OD2-NH2 2.9Å; D591-R624 PolarHBondContact OD2-NH2 3.13Å; K620-R624 WeakPolarHBondContact O-CB 3.44Å; K620-R624 PolarHBondContact O-N 3.01Å; L621-R624 PolarHBondContact O-N 3.11Å; R624-T628 WeakPolarHBondContact O-CB 3.37Å; R624-T628 PolarHBondContact O-N 2.97Å; R624-T628 PolarHBondContact O-OG1 2.87Å |
| 625 | W | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | -177.3 | -58.8 | -21.4 | 0 | 0 | 0 | 111.7 | Q590 L593 A594 L597 L621 V622 K623 T628 W632 M635 L678 | Q590-W625 PolarHBondContact O-NE1 3.23Å; L593-W625 HydrophobicContact CB-CZ2 4.35Å; L593-W625 HydrophobicContact CD2-CH2 4.37Å; L593-W625 HydrophobicContact CD2-CZ2 4.09Å; L593-W625 HydrophobicContact CG-CH2 4.45Å; L593-W625 HydrophobicContact CG-CZ2 4.06Å; A594-W625 HydrophobicContact CB-CD2 4.18Å; A594-W625 HydrophobicContact CB-CG 4.18Å; A594-W625 HydrophobicContact CB-CZ2 4.24Å; L597-W625 HydrophobicContact CD1-CH2 3.67Å; L597-W625 HydrophobicContact CD1-CZ2 4.42Å; L597-W625 HydrophobicContact CD1-CZ3 4.28Å; L621-W625 HydrophobicContact CB-CD2 4.27Å; L621-W625 HydrophobicContact CB-CE3 4.37Å; L621-W625 HydrophobicContact CB-CH2 3.92Å; L621-W625 HydrophobicContact CB-CZ2 3.8Å; L621-W625 HydrophobicContact CB-CZ3 4.2Å; L621-W625 HydrophobicContact CD1-CH2 4.13Å; L621-W625 HydrophobicContact CD1-CZ2 4.15Å; L621-W625 HydrophobicContact CD2-CH2 4.47Å; L621-W625 HydrophobicContact CD2-CZ2 3.7Å; L621-W625 HydrophobicContact CG-CH2 4.41Å; L621-W625 HydrophobicContact CG-CZ2 4.1Å; L621-W625 WeakPolarHBondContact O-CB 3.32Å; L621-W625 VanDerWaalsContact O-CD2 3.27Å; L621-W625 PolarHBondContact O-N 3.4Å; V622-W625 PolarHBondContact O-N 2.76Å; K623-W625 VanDerWaalsContact C-N 3.31Å; K623-W625 PolarHBondContact O-N 2.84Å; W625-T628 CarbonylContact O-C 3.32Å; W625-T628 PolarHBondContact O-N 3.33Å; W625-W632 HydrophobicContact CB-CE3 3.86Å; W625-W632 HydrophobicContact CE3-CZ3 4.46Å; W625-W632 VanDerWaalsContact O-CB 3.28Å; W625-W632 WeakPolarHBondContact O-CB 3.32Å; W625-W632 PolarHBondContact O-N 2.92Å; W625-M635 HydrophobicContact CE3-CE 4.44Å; W625-M635 HydrophobicContact CE3-SD 4.26Å; W625-M635 HydrophobicContact CZ3-CE 4.24Å; W625-L678 HydrophobicContact CE3-CD1 4.4Å; W625-L678 HydrophobicContact CZ3-CD1 3.74Å; W625-L678 HydrophobicContact CZ3-CD2 4.45Å |
| 626 | Q | 94 | Very high | 92.7 | Very high | 102 Ų | 102 | 62.4 Ų | 62.4 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.4 | -73.1 | 176.9 | -11.7 | 0 | 0 | 112.4 | V622 K623 T628 W632 | V622-Q626 HydrophobicContact CG1-CG 4.35Å; V622-Q626 WeakPolarHBondContact O-CB 3.33Å; V622-Q626 VanDerWaalsContact O-CG 3.26Å; V622-Q626 WeakPolarHBondContact O-CG 3.38Å; V622-Q626 PolarHBondContact O-N 2.73Å; K623-Q626 PolarHBondContact O-N 3.26Å; Q626-T628 PolarHBondContact O-N 3.42Å; Q626-W632 HydrophobicContact CG-CD2 3.66Å; Q626-W632 HydrophobicContact CG-CE3 3.61Å; Q626-W632 HydrophobicContact CG-CG 4.21Å; Q626-W632 HydrophobicContact CG-CH2 4.24Å; Q626-W632 HydrophobicContact CG-CZ2 4.29Å; Q626-W632 HydrophobicContact CG-CZ3 3.9Å |
| 627 | D | 92.7 | Very high | 92.5 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.3 | -28.6 | 174.7 | -68.7 | -17.6 | 0 | 0 | 0 | 111.3 | K623 V629 | K623-D627 WeakPolarHBondContact O-CB 3.19Å; K623-D627 PolarHBondContact O-N 3.27Å; D627-V629 PolarHBondContact O-N 3.44Å |
| 628 | T | 91.3 | Very high | 92.2 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -97.5 | 82.8 | 177.2 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | R624 W625 Q626 S630 L631 | R624-T628 WeakPolarHBondContact O-CB 3.37Å; R624-T628 PolarHBondContact O-N 2.97Å; R624-T628 PolarHBondContact O-OG1 2.87Å; W625-T628 CarbonylContact O-C 3.32Å; W625-T628 PolarHBondContact O-N 3.33Å; Q626-T628 PolarHBondContact O-N 3.42Å; T628-S630 PolarHBondContact O-N 3.03Å; T628-L631 HydrophobicContact CG2-CB 4.4Å; T628-L631 HydrophobicContact CG2-CD1 3.8Å; T628-L631 HydrophobicContact CG2-CG 3.8Å; T628-L631 PolarHBondContact O-N 3.34Å |
| 629 | V | 79.6 | Confident | 92.1 | Very high | 109 Ų | 109 | 61.1 Ų | 61.1 | 66% | 0.661 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -44.3 | -38.3 | -172.8 | -179.5 | 0 | 0 | 0 | 0 | 114 | D627 L631 K633 | D627-V629 PolarHBondContact O-N 3.44Å; V629-L631 PolarHBondContact O-N 3.48Å; V629-K633 WeakPolarHBondContact O-CB 3.23Å; V629-K633 PolarHBondContact O-N 3.07Å |
| 630 | S | 88.6 | Confident | 92.1 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | -179.8 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | T628 K634 | T628-S630 PolarHBondContact O-N 3.03Å; S630-K634 WeakPolarHBondContact O-CB 3.31Å; S630-K634 WeakPolarHBondContact O-CD 3.31Å; S630-K634 WeakPolarHBondContact O-CG 3.45Å; S630-K634 PolarHBondContact O-N 2.8Å |
| 631 | L | 91.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -81 | -52.6 | -178.2 | -66.1 | 178.9 | 0 | 0 | 0 | 111.5 | D591 A594 L595 T628 V629 K633 K634 M635 | D591-L631 HydrophobicContact CB-CD1 4.01Å; D591-L631 WeakPolarHBondContact OD1-CD1 3.36Å; A594-L631 HydrophobicContact CB-CB 4.23Å; A594-L631 HydrophobicContact CB-CD1 4.18Å; A594-L631 HydrophobicContact CB-CD2 4.2Å; A594-L631 HydrophobicContact CB-CG 4.45Å; L595-L631 HydrophobicContact CD2-CD2 3.79Å; L595-L631 HydrophobicContact CG-CD2 4.14Å; T628-L631 HydrophobicContact CG2-CB 4.4Å; T628-L631 HydrophobicContact CG2-CD1 3.8Å; T628-L631 HydrophobicContact CG2-CG 3.8Å; T628-L631 PolarHBondContact O-N 3.34Å; V629-L631 PolarHBondContact O-N 3.48Å; L631-K633 VanDerWaalsContact C-N 3.29Å; L631-K633 PolarHBondContact O-N 2.81Å; L631-K634 PolarHBondContact O-N 3.32Å; L631-M635 PolarHBondContact O-N 3.02Å; L631-M635 VanDerWaalsContact O-N 3.16Å |
| 632 | W | 92.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 21% | 0.205 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 179.3 | -170.7 | -93.5 | 0 | 0 | 0 | 112 | V622 W625 Q626 M635 S636 V641 | V622-W632 HydrophobicContact CG1-CH2 4.25Å; V622-W632 HydrophobicContact CG1-CZ3 4.11Å; W625-W632 HydrophobicContact CB-CE3 3.86Å; W625-W632 HydrophobicContact CE3-CZ3 4.46Å; W625-W632 VanDerWaalsContact O-CB 3.28Å; W625-W632 WeakPolarHBondContact O-CB 3.32Å; W625-W632 PolarHBondContact O-N 2.92Å; Q626-W632 HydrophobicContact CG-CD2 3.66Å; Q626-W632 HydrophobicContact CG-CE3 3.61Å; Q626-W632 HydrophobicContact CG-CG 4.21Å; Q626-W632 HydrophobicContact CG-CH2 4.24Å; Q626-W632 HydrophobicContact CG-CZ2 4.29Å; Q626-W632 HydrophobicContact CG-CZ3 3.9Å; W632-M635 PolarHBondContact O-N 2.91Å; W632-S636 VanDerWaalsContact CD1-OG 3.3Å; W632-S636 PolarHBondContact NE1-OG 2.79Å; W632-S636 VanDerWaalsContact O-CB 3.25Å; W632-S636 WeakPolarHBondContact O-CB 3.45Å; W632-S636 PolarHBondContact O-N 3.47Å; W632-S636 PolarHBondContact O-OG 2.81Å; W632-V641 HydrophobicContact CH2-CB 4.09Å; W632-V641 HydrophobicContact CH2-CG1 3.65Å; W632-V641 HydrophobicContact CZ2-CB 4.03Å; W632-V641 HydrophobicContact CZ2-CG1 4.12Å; W632-V641 HydrophobicContact CZ3-CG1 4.1Å |
| 633 | K | 89.3 | Confident | 92.2 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177 | -172.3 | 179.6 | 179.1 | -171.7 | 0 | 111.5 | V629 L631 M635 S636 E637 | V629-K633 WeakPolarHBondContact O-CB 3.23Å; V629-K633 PolarHBondContact O-N 3.07Å; L631-K633 VanDerWaalsContact C-N 3.29Å; L631-K633 PolarHBondContact O-N 2.81Å; K633-M635 VanDerWaalsContact C-N 3.31Å; K633-M635 PolarHBondContact O-N 3.2Å; K633-S636 PolarHBondContact O-N 2.9Å; K633-S636 VanDerWaalsContact O-N 3.16Å; K633-E637 WeakPolarHBondContact CE-OE1 3.46Å; K633-E637 HydrophobicContact CG-CG 4.25Å; K633-E637 WeakPolarHBondContact CG-OE1 3.22Å; K633-E637 IonicContact NZ-OE1 3.92Å; K633-E637 WeakPolarHBondContact O-CB 3.42Å; K633-E637 VanDerWaalsContact O-CG 3.27Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 2.82Å |
| 634 | K | 88.8 | Confident | 92.2 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 176.8 | -81 | 174.5 | -178.5 | -176.2 | 0 | 112.6 | S630 L631 | S630-K634 WeakPolarHBondContact O-CB 3.31Å; S630-K634 WeakPolarHBondContact O-CD 3.31Å; S630-K634 WeakPolarHBondContact O-CG 3.45Å; S630-K634 PolarHBondContact O-N 2.8Å; L631-K634 PolarHBondContact O-N 3.32Å |
| 635 | M | 91.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 176.5 | -66.9 | 177.6 | 64.8 | 0 | 0 | 111.6 | A594 L597 W625 L631 W632 K633 E637 Q638 K639 V641 L676 | A594-M635 HydrophobicContact CB-SD 4.08Å; L597-M635 HydrophobicContact CB-CE 4.06Å; L597-M635 HydrophobicContact CD1-CE 4.19Å; W625-M635 HydrophobicContact CE3-CE 4.44Å; W625-M635 HydrophobicContact CE3-SD 4.26Å; W625-M635 HydrophobicContact CZ3-CE 4.24Å; L631-M635 PolarHBondContact O-N 3.02Å; L631-M635 VanDerWaalsContact O-N 3.16Å; W632-M635 PolarHBondContact O-N 2.91Å; K633-M635 VanDerWaalsContact C-N 3.31Å; K633-M635 PolarHBondContact O-N 3.2Å; M635-E637 VanDerWaalsContact C-N 3.34Å; M635-E637 PolarHBondContact O-N 2.88Å; M635-Q638 PolarHBondContact O-N 3.5Å; M635-Q638 VanDerWaalsContact O-N 3.15Å; M635-K639 PolarHBondContact O-N 2.88Å; M635-V641 HydrophobicContact CB-CG2 3.96Å; M635-V641 HydrophobicContact CE-CG2 4.47Å; M635-L676 HydrophobicContact CE-CD2 3.35Å |
| 636 | S | 91.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 59 Ų | 59 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70 | -27.1 | -177.6 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | W632 K633 Q638 K639 | W632-S636 VanDerWaalsContact CD1-OG 3.3Å; W632-S636 PolarHBondContact NE1-OG 2.79Å; W632-S636 VanDerWaalsContact O-CB 3.25Å; W632-S636 WeakPolarHBondContact O-CB 3.45Å; W632-S636 PolarHBondContact O-N 3.47Å; W632-S636 PolarHBondContact O-OG 2.81Å; K633-S636 PolarHBondContact O-N 2.9Å; K633-S636 VanDerWaalsContact O-N 3.16Å; S636-Q638 VanDerWaalsContact C-N 3.26Å; S636-Q638 PolarHBondContact O-N 3.49Å; S636-K639 WeakPolarHBondContact CA-O 3.4Å |
| 637 | E | 88.9 | Confident | 91.3 | Very high | 102 Ų | 102 | 60.4 Ų | 60.4 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -31.9 | 171.4 | -79.6 | 170.9 | -179.3 | 0 | 0 | 111.7 | K633 M635 | K633-E637 WeakPolarHBondContact CE-OE1 3.46Å; K633-E637 HydrophobicContact CG-CG 4.25Å; K633-E637 WeakPolarHBondContact CG-OE1 3.22Å; K633-E637 IonicContact NZ-OE1 3.92Å; K633-E637 WeakPolarHBondContact O-CB 3.42Å; K633-E637 VanDerWaalsContact O-CG 3.27Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 2.82Å; M635-E637 VanDerWaalsContact C-N 3.34Å; M635-E637 PolarHBondContact O-N 2.88Å |
| 638 | Q | 88.6 | Confident | 90.8 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.7 | -52.1 | 178.8 | -56.7 | -55.8 | -54.2 | 0 | 0 | 111.3 | C601 M635 S636 S672 T673 | C601-Q638 HydrophobicContact CB-CB 4.38Å; M635-Q638 PolarHBondContact O-N 3.5Å; M635-Q638 VanDerWaalsContact O-N 3.15Å; S636-Q638 VanDerWaalsContact C-N 3.26Å; S636-Q638 PolarHBondContact O-N 3.49Å; Q638-S672 PolarHBondContact O-OG 3.42Å; Q638-T673 PolarHBondContact O-N 3.25Å; Q638-T673 PolarHBondContact O-OG1 3.45Å |
| 639 | K | 94.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -138.5 | 148.3 | -171.8 | -65.9 | -166.9 | -174.3 | -65.4 | 0 | 112.1 | C601 I604 D606 V608 M635 S636 V641 S672 T673 G674 L676 | C601-K639 HydrophobicContact CB-CD 3.89Å; C601-K639 HydrophobicContact CB-CG 4.17Å; C601-K639 VanDerWaalsContact O-CE 3.25Å; C601-K639 WeakPolarHBondContact O-CE 3.4Å; I604-K639 WeakPolarHBondContact O-CE 3.35Å; I604-K639 PolarHBondContact O-NZ 3.45Å; D606-K639 PolarHBondContact O-NZ 3.05Å; V608-K639 HydrophobicContact CB-CD 4.5Å; V608-K639 HydrophobicContact CG2-CD 4.06Å; M635-K639 PolarHBondContact O-N 2.88Å; S636-K639 WeakPolarHBondContact CA-O 3.4Å; K639-V641 PolarHBondContact O-N 3.43Å; K639-V641 VanDerWaalsContact O-N 3.09Å; K639-S672 WeakPolarHBondContact CA-OG 3.3Å; K639-T673 PolarHBondContact NZ-OG1 3.08Å; K639-T673 VanDerWaalsContact NZ-OG1 3.07Å; K639-G674 WeakPolarHBondContact CA-O 3.41Å; K639-L676 HydrophobicContact CB-CB 4.17Å; K639-L676 HydrophobicContact CD-CB 4.37Å |
| 640 | L | 95.3 | Very high | 91 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 111.7 | 166.1 | 178.8 | 65.2 | 0 | 0 | 0 | 109.4 | L642 A661 G674 A675 L676 | L640-L642 HydrophobicContact CD2-CD1 4.1Å; L640-L642 HydrophobicContact CD2-CD2 4.2Å; L640-L642 HydrophobicContact CD2-CG 4.19Å; L640-L642 HydrophobicContact CG-CD1 4.47Å; L640-L642 HydrophobicContact CG-CD2 4.24Å; L640-L642 HydrophobicContact CG-CG 4.1Å; L640-A661 HydrophobicContact CB-CB 4.02Å; L640-A661 HydrophobicContact CD2-CB 3.61Å; L640-A661 HydrophobicContact CG-CB 4.45Å; L640-G674 PolarHBondContact N-O 3.04Å; L640-A675 HydrophobicContact CB-CB 4.34Å; L640-A675 CarbonylContact O-C 3.44Å; L640-A675 WeakPolarHBondContact O-CA 3.35Å; L640-L676 PolarHBondContact O-N 3.36Å |
| 641 | V | 96.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.6 | 178.9 | -172 | 0 | 0 | 0 | 0 | 109.8 | W632 M635 K639 L676 L678 | W632-V641 HydrophobicContact CH2-CB 4.09Å; W632-V641 HydrophobicContact CH2-CG1 3.65Å; W632-V641 HydrophobicContact CZ2-CB 4.03Å; W632-V641 HydrophobicContact CZ2-CG1 4.12Å; W632-V641 HydrophobicContact CZ3-CG1 4.1Å; M635-V641 HydrophobicContact CB-CG2 3.96Å; M635-V641 HydrophobicContact CE-CG2 4.47Å; K639-V641 PolarHBondContact O-N 3.43Å; K639-V641 VanDerWaalsContact O-N 3.09Å; V641-L676 WeakPolarHBondContact CA-O 3.43Å; V641-L676 HydrophobicContact CG1-CD2 4.37Å; V641-L676 HydrophobicContact CG2-CD2 4.39Å; V641-L678 HydrophobicContact CG1-CD1 3.97Å; V641-L678 HydrophobicContact CG1-CG 4.27Å |
| 642 | L | 96.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.8 | 178.2 | -65.8 | 172.9 | 0 | 0 | 0 | 110.2 | L640 V654 K657 F658 L676 L677 L678 | L640-L642 HydrophobicContact CD2-CD1 4.1Å; L640-L642 HydrophobicContact CD2-CD2 4.2Å; L640-L642 HydrophobicContact CD2-CG 4.19Å; L640-L642 HydrophobicContact CG-CD1 4.47Å; L640-L642 HydrophobicContact CG-CD2 4.24Å; L640-L642 HydrophobicContact CG-CG 4.1Å; L642-V654 HydrophobicContact CB-CG1 4.08Å; L642-V654 HydrophobicContact CD1-CG1 4.41Å; L642-K657 HydrophobicContact CD1-CB 4.03Å; L642-K657 HydrophobicContact CD2-CB 4.32Å; L642-K657 HydrophobicContact CD2-CD 4.46Å; L642-F658 HydrophobicContact CD1-CB 3.63Å; L642-F658 HydrophobicContact CD1-CD2 4.14Å; L642-F658 HydrophobicContact CD1-CG 4.4Å; L642-L676 PolarHBondContact N-O 3.49Å; L642-L677 HydrophobicContact CB-CD1 3.9Å; L642-L678 PolarHBondContact O-N 3.28Å |
| 643 | V | 97 | Very high | 91.2 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 30% | 0.297 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.3 | -175.6 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | L618 V622 L678 | L618-V643 HydrophobicContact CD1-CG1 4.04Å; L618-V643 HydrophobicContact CD2-CG1 3.79Å; L618-V643 HydrophobicContact CG-CG1 3.96Å; V622-V643 HydrophobicContact CG1-CG2 4.37Å; V622-V643 HydrophobicContact CG2-CG1 4.45Å; V622-V643 HydrophobicContact CG2-CG2 3.7Å; V643-L678 HydrophobicContact CG2-CD1 4.23Å |
| 644 | E | 95.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | trans | -61.3 | 124.7 | 174.1 | -176.7 | -176 | 167.2 | 0 | 0 | 110.8 | Y615 L651 L678 A679 V680 K684 V685 | Y615-E644 HydrophobicContact CE1-CG 4.25Å; Y615-E644 PolarHBondContact OH-OE1 2.91Å; E644-L651 HydrophobicContact CG-CD1 4.43Å; E644-L678 WeakPolarHBondContact CB-O 3.1Å; E644-L678 PolarHBondContact N-O 3.42Å; E644-A679 HydrophobicContact CB-CB 4.36Å; E644-A679 WeakPolarHBondContact OE2-CA 3.42Å; E644-A679 WeakPolarHBondContact OE2-CB 3.4Å; E644-V680 PolarHBondContact OE2-N 3.21Å; E644-K684 WeakPolarHBondContact OE1-CB 3.27Å; E644-K684 PolarHBondContact OE1-N 2.81Å; E644-V685 HydrophobicContact CB-CG2 4.21Å; E644-V685 HydrophobicContact CG-CG2 3.84Å | ||
| 645 | P | 93.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | trans | -76.2 | 148.4 | 178.9 | 29.3 | -31.7 | 0 | 0 | 0 | 111.7 | K647 E650 L651 V654 K684 | P645-K647 VanDerWaalsContact C-N 3.34Å; P645-E650 HydrophobicContact CB-CB 3.72Å; P645-E650 WeakPolarHBondContact CB-OE2 3.39Å; P645-E650 HydrophobicContact CG-CB 3.79Å; P645-L651 HydrophobicContact CG-CB 4.12Å; P645-L651 HydrophobicContact CG-CD1 4.38Å; P645-V654 HydrophobicContact CG-CG2 4.29Å; P645-K684 PolarHBondContact O-NZ 3.34Å | ||
| 646 | R | 88.8 | Confident | 92 | Very high | 147 Ų | 147 | 58.5 Ų | 58.5 | 56% | 0.555 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -66.8 | -33.4 | 172.2 | -73.9 | -165.3 | -176 | -165.6 | 7.3 | 112.7 | Y615 E619 K684 | Y615-R646 HydrophobicContact CD1-CG 3.87Å; Y615-R646 HydrophobicContact CE1-CG 4.29Å; Y615-R646 HydrophobicContact CG-CG 4.09Å; E619-R646 IonicContact OE1-CZ 3.74Å; E619-R646 IonicContact OE1-NE 3.67Å; E619-R646 PolarHBondContact OE1-NE 3.3Å; E619-R646 IonicContact OE1-NH2 2.84Å; E619-R646 PolarHBondContact OE1-NH2 2.89Å; E619-R646 IonicContact OE2-CZ 3.91Å; E619-R646 IonicContact OE2-NH2 3.49Å; E619-R646 PolarHBondContact OE2-NH2 3Å; R646-K684 PolarHBondContact O-NZ 3.39Å |
| 647 | K | 86 | Confident | 92.2 | Very high | 132 Ų | 132 | 62.3 Ų | 62.3 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -88.5 | 140.6 | 178.7 | -60.6 | -176.7 | 177.9 | 176.7 | 0 | 111.6 | P645 N649 K684 | P645-K647 VanDerWaalsContact C-N 3.34Å; K647-N649 WeakPolarHBondContact CB-OD1 3.33Å; K647-K684 PolarHBondContact O-NZ 2.96Å |
| 648 | G | 81.1 | Confident | 92.5 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -70.5 | -34.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E650 L651 | G648-E650 VanDerWaalsContact C-N 3.28Å; G648-E650 PolarHBondContact O-N 3.27Å; G648-L651 WeakPolarHBondContact O-CB 3.3Å; G648-L651 PolarHBondContact O-N 3.43Å |
| 649 | N | 86 | Confident | 92.8 | Very high | 128 Ų | 128 | 59 Ų | 59 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.3 | -179.4 | 60.9 | -22.3 | 0 | 0 | 0 | 114.2 | K647 | K647-N649 WeakPolarHBondContact CB-OD1 3.33Š|
| 650 | E | 90 | Very high | 92.8 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.9 | 179.5 | -69.7 | 167.3 | -166.1 | 0 | 0 | 113 | P645 G648 E652 G653 V654 | P645-E650 HydrophobicContact CB-CB 3.72Å; P645-E650 WeakPolarHBondContact CB-OE2 3.39Å; P645-E650 HydrophobicContact CG-CB 3.79Å; G648-E650 VanDerWaalsContact C-N 3.28Å; G648-E650 PolarHBondContact O-N 3.27Å; E650-E652 PolarHBondContact O-N 3.2Å; E650-G653 PolarHBondContact O-N 2.86Å; E650-V654 PolarHBondContact O-N 3.43Å |
| 651 | L | 91 | Very high | 92.7 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | -172.9 | -179.3 | 64.8 | 0 | 0 | 0 | 112.4 | E644 P645 G648 G653 V654 L655 K684 V685 I689 | E644-L651 HydrophobicContact CG-CD1 4.43Å; P645-L651 HydrophobicContact CG-CB 4.12Å; P645-L651 HydrophobicContact CG-CD1 4.38Å; G648-L651 WeakPolarHBondContact O-CB 3.3Å; G648-L651 PolarHBondContact O-N 3.43Å; L651-G653 VanDerWaalsContact C-N 3.3Å; L651-G653 PolarHBondContact O-N 3.18Å; L651-V654 WeakPolarHBondContact O-CB 3.46Å; L651-V654 PolarHBondContact O-N 2.8Å; L651-L655 HydrophobicContact CD1-CD1 4.48Å; L651-L655 HydrophobicContact CD1-CG 4.25Å; L651-L655 HydrophobicContact CD2-CD1 4.44Å; L651-L655 HydrophobicContact CG-CD1 4Å; L651-L655 HydrophobicContact CG-CG 4.21Å; L651-L655 WeakPolarHBondContact O-CG 3.46Å; L651-L655 PolarHBondContact O-N 3.08Å; L651-K684 HydrophobicContact CD2-CB 3.48Å; L651-K684 VanDerWaalsContact CD2-CB 3.48Å; L651-K684 HydrophobicContact CD2-CD 3.91Å; L651-K684 HydrophobicContact CD2-CG 4.35Å; L651-V685 HydrophobicContact CD1-CG2 3.9Å; L651-I689 HydrophobicContact CD2-CD1 4.05Å |
| 652 | E | 91 | Very high | 92.5 | Very high | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | -177.8 | -165.3 | 60.2 | -143.4 | 0 | 0 | 111.6 | E650 V654 L655 C656 | E650-E652 PolarHBondContact O-N 3.2Å; E652-V654 VanDerWaalsContact C-N 3.31Å; E652-V654 PolarHBondContact O-N 2.85Å; E652-L655 PolarHBondContact O-N 3.42Å; E652-C656 WeakPolarHBondContact O-CB 3.44Å; E652-C656 PolarHBondContact O-N 3.18Å |
| 653 | G | 94.2 | Very high | 92.3 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E650 L651 K657 | E650-G653 PolarHBondContact O-N 2.86Å; L651-G653 VanDerWaalsContact C-N 3.3Å; L651-G653 PolarHBondContact O-N 3.18Å; G653-K657 WeakPolarHBondContact O-CG 3.34Å; G653-K657 PolarHBondContact O-N 3.09Å |
| 654 | V | 95.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 175 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L642 P645 E650 L651 E652 K657 F658 L677 | L642-V654 HydrophobicContact CB-CG1 4.08Å; L642-V654 HydrophobicContact CD1-CG1 4.41Å; P645-V654 HydrophobicContact CG-CG2 4.29Å; E650-V654 PolarHBondContact O-N 3.43Å; L651-V654 WeakPolarHBondContact O-CB 3.46Å; L651-V654 PolarHBondContact O-N 2.8Å; E652-V654 VanDerWaalsContact C-N 3.31Å; E652-V654 PolarHBondContact O-N 2.85Å; V654-K657 PolarHBondContact O-N 2.89Å; V654-F658 PolarHBondContact O-N 2.85Å; V654-L677 HydrophobicContact CG1-CD1 4.01Å |
| 655 | L | 94.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.4 | -66.5 | 174.8 | 0 | 0 | 0 | 111.3 | L651 E652 K657 F658 H659 L677 I689 F691 | L651-L655 HydrophobicContact CD1-CD1 4.48Å; L651-L655 HydrophobicContact CD1-CG 4.25Å; L651-L655 HydrophobicContact CD2-CD1 4.44Å; L651-L655 HydrophobicContact CG-CD1 4Å; L651-L655 HydrophobicContact CG-CG 4.21Å; L651-L655 WeakPolarHBondContact O-CG 3.46Å; L651-L655 PolarHBondContact O-N 3.08Å; E652-L655 PolarHBondContact O-N 3.42Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 3.36Å; L655-F658 WeakPolarHBondContact O-CA 3.49Å; L655-F658 WeakPolarHBondContact O-CB 3.36Å; L655-F658 PolarHBondContact O-N 2.9Å; L655-H659 PolarHBondContact O-CD2 3.17Å; L655-H659 PolarHBondContact O-N 2.94Å; L655-L677 HydrophobicContact CD2-CD2 4.31Å; L655-I689 HydrophobicContact CD1-CD1 3.61Å; L655-I689 HydrophobicContact CD1-CG1 4.38Å; L655-I689 HydrophobicContact CD2-CD1 4.2Å; L655-I689 HydrophobicContact CG-CD1 4.5Å; L655-F691 HydrophobicContact CD2-CE1 4.37Å; L655-F691 HydrophobicContact CD2-CZ 4.22Å |
| 656 | C | 95.6 | Very high | 90.3 | Very high | 63 Ų | 63 | 69.5 Ų | 69.5 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | E652 F658 H659 E660 | E652-C656 WeakPolarHBondContact O-CB 3.44Å; E652-C656 PolarHBondContact O-N 3.18Å; C656-F658 VanDerWaalsContact C-N 3.32Å; C656-F658 PolarHBondContact O-N 3.49Å; C656-H659 PolarHBondContact O-N 3.33Å; C656-E660 WeakPolarHBondContact O-CG 3.38Å; C656-E660 PolarHBondContact O-N 2.81Å |
| 657 | K | 95.7 | Very high | 89.6 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 55% | 0.548 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.9 | -70.4 | 175.6 | -177.5 | 179.2 | 0 | 112.6 | L642 G653 V654 L655 A661 | L642-K657 HydrophobicContact CD1-CB 4.03Å; L642-K657 HydrophobicContact CD2-CB 4.32Å; L642-K657 HydrophobicContact CD2-CD 4.46Å; G653-K657 WeakPolarHBondContact O-CG 3.34Å; G653-K657 PolarHBondContact O-N 3.09Å; V654-K657 PolarHBondContact O-N 2.89Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 3.36Å; K657-A661 WeakPolarHBondContact O-CB 3.49Å; K657-A661 PolarHBondContact O-N 3.13Å |
| 658 | F | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 177.4 | -175.6 | -99.8 | 0 | 0 | 0 | 111.3 | L609 L642 V654 L655 C656 A661 I662 A675 L677 F691 L695 | L609-F658 HydrophobicContact CD2-CE1 4.4Å; L609-F658 HydrophobicContact CD2-CE2 4.45Å; L609-F658 HydrophobicContact CD2-CZ 3.84Å; L642-F658 HydrophobicContact CD1-CB 3.63Å; L642-F658 HydrophobicContact CD1-CD2 4.14Å; L642-F658 HydrophobicContact CD1-CG 4.4Å; V654-F658 PolarHBondContact O-N 2.85Å; L655-F658 WeakPolarHBondContact O-CA 3.49Å; L655-F658 WeakPolarHBondContact O-CB 3.36Å; L655-F658 PolarHBondContact O-N 2.9Å; C656-F658 VanDerWaalsContact C-N 3.32Å; C656-F658 PolarHBondContact O-N 3.49Å; F658-A661 PolarHBondContact O-N 2.87Å; F658-I662 HydrophobicContact CD1-CD1 3.87Å; F658-I662 HydrophobicContact CE1-CD1 3.4Å; F658-I662 VanDerWaalsContact CE1-CD1 3.4Å; F658-I662 HydrophobicContact CE2-CD1 4.12Å; F658-I662 HydrophobicContact CG-CD1 4.42Å; F658-I662 HydrophobicContact CZ-CD1 3.55Å; F658-I662 WeakPolarHBondContact O-CG1 3.22Å; F658-I662 PolarHBondContact O-N 3.02Å; F658-A675 HydrophobicContact CD2-CB 3.43Å; F658-A675 VanDerWaalsContact CD2-CB 3.43Å; F658-A675 HydrophobicContact CE2-CB 3.57Å; F658-A675 HydrophobicContact CG-CB 4.3Å; F658-L677 HydrophobicContact CD2-CB 3.83Å; F658-L677 HydrophobicContact CE2-CB 3.62Å; F658-L677 HydrophobicContact CZ-CB 4.34Å; F658-F691 HydrophobicContact CD1-CE1 4.25Å; F658-F691 AromaticContact CE1-CD1 3.98Å; F658-F691 HydrophobicContact CE1-CD1 3.98Å; F658-F691 AromaticContact CE1-CE1 3.9Å; F658-F691 HydrophobicContact CE1-CE1 3.9Å; F658-L695 WeakPolarHBondContact CE1-O 3.49Å; F658-L695 VanDerWaalsContact CZ-O 3.26Å; F658-L695 WeakPolarHBondContact CZ-O 3.36Å |
| 659 | H | 94.5 | Very high | 87.6 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.4 | -73.9 | -73.9 | 0 | 0 | 0 | 112 | L655 C656 A661 I662 A663 L695 | L655-H659 PolarHBondContact O-CD2 3.17Å; L655-H659 PolarHBondContact O-N 2.94Å; C656-H659 PolarHBondContact O-N 3.33Å; H659-A661 PolarHBondContact O-N 3.46Å; H659-I662 PolarHBondContact O-N 3.28Å; H659-A663 WeakPolarHBondContact O-CB 3.25Å; H659-A663 PolarHBondContact O-N 3.33Å; H659-L695 VanDerWaalsContact CE1-CD1 3.45Å; H659-L695 WeakPolarHBondContact CE1-CD1 3.25Å; H659-L695 WeakPolarHBondContact ND1-CD2 3.27Å |
| 660 | E | 93.6 | Very high | 86.7 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 179 | -78.4 | -176.8 | -143.8 | 0 | 0 | 113.2 | C656 I662 A663 K664 | C656-E660 WeakPolarHBondContact O-CG 3.38Å; C656-E660 PolarHBondContact O-N 2.81Å; E660-I662 VanDerWaalsContact C-N 3.33Å; E660-I662 PolarHBondContact O-N 3.26Å; E660-A663 PolarHBondContact O-N 2.91Å; E660-K664 WeakPolarHBondContact O-CB 3.18Å; E660-K664 WeakPolarHBondContact O-CD 3.36Å; E660-K664 VanDerWaalsContact O-CG 3.23Å; E660-K664 WeakPolarHBondContact O-CG 3.28Å; E660-K664 PolarHBondContact O-N 2.98Å; E660-K664 IonicContact OE2-NZ 2.75Å; E660-K664 PolarHBondContact OE2-NZ 3.01Å |
| 661 | A | 93.4 | Very high | 85.7 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L640 K657 F658 H659 K664 S665 A675 | L640-A661 HydrophobicContact CB-CB 4.02Å; L640-A661 HydrophobicContact CD2-CB 3.61Å; L640-A661 HydrophobicContact CG-CB 4.45Å; K657-A661 WeakPolarHBondContact O-CB 3.49Å; K657-A661 PolarHBondContact O-N 3.13Å; F658-A661 PolarHBondContact O-N 2.87Å; H659-A661 PolarHBondContact O-N 3.46Å; A661-K664 PolarHBondContact O-N 3.48Å; A661-S665 PolarHBondContact O-N 2.7Å; A661-S665 VanDerWaalsContact O-N 3.1Å; A661-A675 HydrophobicContact CB-CB 3.95Å |
| 662 | I | 93.5 | Very high | 85 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -73.2 | -37.4 | 176.4 | -64.5 | 172.4 | 0 | 0 | 0 | 111.2 | D606 G607 F658 H659 E660 K664 S665 A675 R694 L695 | D606-I662 HydrophobicContact CB-CG2 4.06Å; G607-I662 VanDerWaalsContact CA-CD1 3.5Å; F658-I662 HydrophobicContact CD1-CD1 3.87Å; F658-I662 HydrophobicContact CE1-CD1 3.4Å; F658-I662 VanDerWaalsContact CE1-CD1 3.4Å; F658-I662 HydrophobicContact CE2-CD1 4.12Å; F658-I662 HydrophobicContact CG-CD1 4.42Å; F658-I662 HydrophobicContact CZ-CD1 3.55Å; F658-I662 WeakPolarHBondContact O-CG1 3.22Å; F658-I662 PolarHBondContact O-N 3.02Å; H659-I662 PolarHBondContact O-N 3.28Å; E660-I662 VanDerWaalsContact C-N 3.33Å; E660-I662 PolarHBondContact O-N 3.26Å; I662-K664 VanDerWaalsContact C-N 3.27Å; I662-K664 PolarHBondContact O-N 2.89Å; I662-S665 PolarHBondContact O-N 2.82Å; I662-S665 PolarHBondContact O-OG 3.1Å; I662-A675 HydrophobicContact CD1-CB 4.38Å; I662-A675 HydrophobicContact CG1-CB 4.03Å; I662-R694 HydrophobicContact CG2-CB 3.8Å; I662-R694 PolarHBondContact O-NH2 2.92Å; I662-L695 HydrophobicContact CD1-CD2 4.12Å; I662-L695 HydrophobicContact CG2-CD2 4.48Å |
| 663 | A | 90.9 | Very high | 84.8 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H659 E660 S666 | H659-A663 WeakPolarHBondContact O-CB 3.25Å; H659-A663 PolarHBondContact O-N 3.33Å; E660-A663 PolarHBondContact O-N 2.91Å; A663-S666 PolarHBondContact O-OG 2.84Å |
| 664 | K | 88.4 | Confident | 84.7 | Confident | 126 Ų | 126 | 68 Ų | 68 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.6 | -25.1 | 179.5 | -71.7 | 165.8 | -175.2 | 161.6 | 0 | 113.7 | E660 A661 I662 S666 A667 | E660-K664 WeakPolarHBondContact O-CB 3.18Å; E660-K664 WeakPolarHBondContact O-CD 3.36Å; E660-K664 VanDerWaalsContact O-CG 3.23Å; E660-K664 WeakPolarHBondContact O-CG 3.28Å; E660-K664 PolarHBondContact O-N 2.98Å; E660-K664 IonicContact OE2-NZ 2.75Å; E660-K664 PolarHBondContact OE2-NZ 3.01Å; A661-K664 PolarHBondContact O-N 3.48Å; I662-K664 VanDerWaalsContact C-N 3.27Å; I662-K664 PolarHBondContact O-N 2.89Å; K664-S666 PolarHBondContact O-N 3.32Å; K664-A667 WeakPolarHBondContact O-CB 3.28Å; K664-A667 PolarHBondContact O-N 2.86Å; K664-A667 VanDerWaalsContact O-N 3.08Å |
| 665 | S | 84.2 | Confident | 84.8 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.2 | -179.5 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | D606 A661 I662 A667 S670 R694 | D606-S665 PolarHBondContact OD1-OG 2.76Å; A661-S665 PolarHBondContact O-N 2.7Å; A661-S665 VanDerWaalsContact O-N 3.1Å; I662-S665 PolarHBondContact O-N 2.82Å; I662-S665 PolarHBondContact O-OG 3.1Å; S665-A667 VanDerWaalsContact C-N 3.31Å; S665-S670 PolarHBondContact O-OG 3.42Å; S665-R694 PolarHBondContact OG-NH2 3.46Å; S665-R694 VanDerWaalsContact OG-NH2 3.09Å |
| 666 | S | 73 | Confident | 84.9 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.7 | 172.7 | 35.2 | 0 | 0 | 0 | 0 | 114.2 | A663 K664 R694 | A663-S666 PolarHBondContact O-OG 2.84Å; K664-S666 PolarHBondContact O-N 3.32Å; S666-R694 PolarHBondContact OG-NH1 2.75Å; S666-R694 PolarHBondContact OG-NH2 2.99Å |
| 667 | A | 74.7 | Confident | 85 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -77 | 137 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K664 S665 N669 S670 | K664-A667 WeakPolarHBondContact O-CB 3.28Å; K664-A667 PolarHBondContact O-N 2.86Å; K664-A667 VanDerWaalsContact O-N 3.08Å; S665-A667 VanDerWaalsContact C-N 3.31Å; A667-N669 PolarHBondContact O-N 3.09Å; A667-S670 PolarHBondContact O-N 2.77Å; A667-S670 PolarHBondContact O-OG 2.96Å |
| 668 | L | 61.5 | Low | 85.2 | Confident | 182 Ų | 182 | 57.3 Ų | 57.3 | 95% | 0.953 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -22.7 | -178.5 | -93.9 | 124.9 | 0 | 0 | 0 | 115.4 | ||
| 669 | N | 63.6 | Low | 85.2 | Confident | 156 Ų | 156 | 57.3 Ų | 57.3 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 17.3 | -176.4 | -65.9 | -20.9 | 0 | 0 | 0 | 113.8 | A667 Q671 | A667-N669 PolarHBondContact O-N 3.09Å; N669-Q671 PolarHBondContact O-N 2.88Å |
| 670 | S | 65.5 | Low | 85.3 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | trans | -72.8 | 124.6 | -179.1 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | S665 A667 S672 | S665-S670 PolarHBondContact O-OG 3.42Å; A667-S670 PolarHBondContact O-N 2.77Å; A667-S670 PolarHBondContact O-OG 2.96Å; S670-S672 PolarHBondContact O-N 3.25Å; S670-S672 PolarHBondContact OG-O 2.95Å | ||
| 671 | Q | 69.3 | Low | 85.3 | Confident | 194 Ų | 194 | 50 Ų | 50 | 91% | 0.907 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.5 | -17.8 | 172.8 | -70.6 | -175.2 | -17 | 0 | 0 | 113.3 | N669 | N669-Q671 PolarHBondContact O-N 2.88Š|
| 672 | S | 76.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | trans | -113.9 | 140.5 | -177.6 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | Q638 K639 S670 G674 | Q638-S672 PolarHBondContact O-OG 3.42Å; K639-S672 WeakPolarHBondContact CA-OG 3.3Å; S670-S672 PolarHBondContact O-N 3.25Å; S670-S672 PolarHBondContact OG-O 2.95Å; S672-G674 VanDerWaalsContact C-N 3.32Å; S672-G674 PolarHBondContact OG-N 2.81Å; S672-G674 PolarHBondContact OG-O 3.35Å; S672-G674 VanDerWaalsContact OG-O 3.11Å | ||
| 673 | T | 86.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | trans | -84.8 | -2.7 | -179.5 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | D606 Q638 K639 | D606-T673 VanDerWaalsContact CA-O 3.29Å; D606-T673 WeakPolarHBondContact CA-O 3.31Å; D606-T673 PolarHBondContact N-O 2.78Å; Q638-T673 PolarHBondContact O-N 3.25Å; Q638-T673 PolarHBondContact O-OG1 3.45Å; K639-T673 PolarHBondContact NZ-OG1 3.08Å; K639-T673 VanDerWaalsContact NZ-OG1 3.07Å | ||
| 674 | G | 93.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | -142.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D606 K639 L640 S672 | D606-G674 WeakPolarHBondContact O-CA 3.5Å; K639-G674 WeakPolarHBondContact CA-O 3.41Å; L640-G674 PolarHBondContact N-O 3.04Å; S672-G674 VanDerWaalsContact C-N 3.32Å; S672-G674 PolarHBondContact OG-N 2.81Å; S672-G674 PolarHBondContact OG-O 3.35Å; S672-G674 VanDerWaalsContact OG-O 3.11Å |
| 675 | A | 96.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D606 G607 V608 L640 F658 A661 I662 | D606-A675 PolarHBondContact O-N 3.11Å; D606-A675 VanDerWaalsContact O-N 3.14Å; G607-A675 CarbonylContact C-O 3.55Å; G607-A675 WeakPolarHBondContact CA-O 3.37Å; V608-A675 PolarHBondContact N-O 3.5Å; L640-A675 HydrophobicContact CB-CB 4.34Å; L640-A675 CarbonylContact O-C 3.44Å; L640-A675 WeakPolarHBondContact O-CA 3.35Å; F658-A675 HydrophobicContact CD2-CB 3.43Å; F658-A675 VanDerWaalsContact CD2-CB 3.43Å; F658-A675 HydrophobicContact CE2-CB 3.57Å; F658-A675 HydrophobicContact CG-CB 4.3Å; A661-A675 HydrophobicContact CB-CB 3.95Å; I662-A675 HydrophobicContact CD1-CB 4.38Å; I662-A675 HydrophobicContact CG1-CB 4.03Å |
| 676 | L | 97.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.4 | 172.8 | 171 | 63.7 | 0 | 0 | 0 | 108.5 | V608 C610 M635 K639 L640 V641 L642 L678 | V608-L676 HydrophobicContact CB-CD1 3.92Å; V608-L676 HydrophobicContact CG1-CD1 3.69Å; V608-L676 CarbonylContact O-C 3.59Å; V608-L676 WeakPolarHBondContact O-CA 3.42Å; C610-L676 HydrophobicContact CB-CD1 3.95Å; M635-L676 HydrophobicContact CE-CD2 3.35Å; K639-L676 HydrophobicContact CB-CB 4.17Å; K639-L676 HydrophobicContact CD-CB 4.37Å; L640-L676 PolarHBondContact O-N 3.36Å; V641-L676 WeakPolarHBondContact CA-O 3.43Å; V641-L676 HydrophobicContact CG1-CD2 4.37Å; V641-L676 HydrophobicContact CG2-CD2 4.39Å; L642-L676 PolarHBondContact N-O 3.49Å; L676-L678 HydrophobicContact CD1-CD2 4.26Å; L676-L678 HydrophobicContact CD2-CD2 3.99Å; L676-L678 HydrophobicContact CG-CD2 4.03Å |
| 677 | L | 97.6 | Very high | 85 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 111.4 | 175 | -178.4 | 58 | 0 | 0 | 0 | 110.2 | V608 L609 C610 L642 V654 L655 F658 V685 F691 | V608-L677 PolarHBondContact O-N 3.27Å; L609-L677 HydrophobicContact CD2-CB 3.95Å; L609-L677 HydrophobicContact CD2-CD2 4.11Å; C610-L677 PolarHBondContact N-O 3.28Å; L642-L677 HydrophobicContact CB-CD1 3.9Å; V654-L677 HydrophobicContact CG1-CD1 4.01Å; L655-L677 HydrophobicContact CD2-CD2 4.31Å; F658-L677 HydrophobicContact CD2-CB 3.83Å; F658-L677 HydrophobicContact CE2-CB 3.62Å; F658-L677 HydrophobicContact CZ-CB 4.34Å; L677-V685 HydrophobicContact CD2-CG1 3.76Å; L677-V685 HydrophobicContact CD2-CG2 3.91Å; L677-V685 HydrophobicContact CG-CG1 4.44Å; L677-F691 HydrophobicContact CD2-CE1 4.39Å; L677-F691 HydrophobicContact CD2-CZ 4.2Å |
| 678 | L | 98.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.8 | 172.4 | -54.6 | 178.3 | 0 | 0 | 0 | 109.2 | L597 C610 L618 V622 W625 V641 L642 V643 E644 L676 | L597-L678 HydrophobicContact CD1-CD2 4.42Å; C610-L678 HydrophobicContact CB-CD2 3.79Å; L618-L678 HydrophobicContact CD1-CB 3.58Å; L618-L678 HydrophobicContact CD1-CD1 4.18Å; V622-L678 HydrophobicContact CG2-CD1 3.94Å; W625-L678 HydrophobicContact CE3-CD1 4.4Å; W625-L678 HydrophobicContact CZ3-CD1 3.74Å; W625-L678 HydrophobicContact CZ3-CD2 4.45Å; V641-L678 HydrophobicContact CG1-CD1 3.97Å; V641-L678 HydrophobicContact CG1-CG 4.27Å; L642-L678 PolarHBondContact O-N 3.28Å; V643-L678 HydrophobicContact CG2-CD1 4.23Å; E644-L678 WeakPolarHBondContact CB-O 3.1Å; E644-L678 PolarHBondContact N-O 3.42Å; L676-L678 HydrophobicContact CD1-CD2 4.26Å; L676-L678 HydrophobicContact CD2-CD2 3.99Å; L676-L678 HydrophobicContact CG-CD2 4.03Å |
| 679 | A | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 169.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C610 F611 L612 E644 V685 | C610-A679 PolarHBondContact O-N 3.36Å; F611-A679 CarbonylContact C-O 3.48Å; F611-A679 WeakPolarHBondContact CA-O 3.47Å; F611-A679 HydrophobicContact CD1-CB 3.77Å; F611-A679 HydrophobicContact CE1-CB 3.73Å; L612-A679 PolarHBondContact N-O 2.88Å; E644-A679 HydrophobicContact CB-CB 4.36Å; E644-A679 WeakPolarHBondContact OE2-CA 3.42Å; E644-A679 WeakPolarHBondContact OE2-CB 3.4Å; A679-V685 HydrophobicContact CB-CB 3.67Å; A679-V685 HydrophobicContact CB-CG1 3.69Å; A679-V685 HydrophobicContact CB-CG2 4.21Å |
| 680 | V | 95.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.3 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | L612 Y615 L618 E644 R682 G683 | L612-V680 VanDerWaalsContact O-CA 3.32Å; L612-V680 WeakPolarHBondContact O-CA 3.44Å; Y615-V680 HydrophobicContact CD1-CG2 3.6Å; Y615-V680 HydrophobicContact CD2-CB 4.42Å; Y615-V680 HydrophobicContact CD2-CG1 4.3Å; Y615-V680 HydrophobicContact CD2-CG2 4.1Å; Y615-V680 HydrophobicContact CE1-CB 4.32Å; Y615-V680 HydrophobicContact CE1-CG2 3.74Å; Y615-V680 HydrophobicContact CE2-CB 4.23Å; Y615-V680 HydrophobicContact CE2-CG1 4.35Å; Y615-V680 HydrophobicContact CE2-CG2 4.25Å; Y615-V680 HydrophobicContact CG-CG2 3.79Å; L618-V680 HydrophobicContact CB-CG2 4.43Å; L618-V680 HydrophobicContact CD2-CG2 3.85Å; E644-V680 PolarHBondContact OE2-N 3.21Å; V680-R682 PolarHBondContact O-N 3.02Å; V680-G683 WeakPolarHBondContact O-CA 3.48Å; V680-G683 PolarHBondContact O-N 3.2Å |
| 681 | Y | 95.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 140.4 | 171.4 | -60.1 | -89.1 | 0 | 0 | 0 | 110.1 | F611 L612 P613 G683 T701 V702 G703 P705 L751 A754 | F611-Y681 HydrophobicContact CB-CD1 3.93Å; F611-Y681 HydrophobicContact CB-CD2 4.36Å; F611-Y681 HydrophobicContact CB-CE1 3.74Å; F611-Y681 HydrophobicContact CB-CE2 4.22Å; F611-Y681 HydrophobicContact CB-CG 4.25Å; F611-Y681 WeakPolarHBondContact O-CE2 3.48Å; F611-Y681 PolarHBondContact O-OH 3.38Å; L612-Y681 WeakPolarHBondContact O-CD2 3.28Å; L612-Y681 PolarHBondContact O-N 3.48Å; L612-Y681 VanDerWaalsContact O-N 3.08Å; P613-Y681 HydrophobicContact CG-CE2 4.16Å; Y681-G683 PolarHBondContact O-N 2.88Å; Y681-T701 HydrophobicContact CE1-CG2 4.07Å; Y681-T701 WeakPolarHBondContact OH-CA 3.41Å; Y681-T701 WeakPolarHBondContact OH-CB 3.25Å; Y681-V702 WeakPolarHBondContact CE2-O 3.16Å; Y681-V702 PolarHBondContact OH-N 2.85Å; Y681-V702 VanDerWaalsContact OH-N 3.09Å; Y681-V702 PolarHBondContact OH-O 2.94Å; Y681-G703 PolarHBondContact OH-O 2.78Å; Y681-G703 VanDerWaalsContact OH-O 3.13Å; Y681-P705 HydrophobicContact CD1-CB 4.14Å; Y681-P705 HydrophobicContact CD1-CG 3.74Å; Y681-P705 HydrophobicContact CD2-CB 3.55Å; Y681-P705 HydrophobicContact CD2-CG 4.02Å; Y681-P705 HydrophobicContact CE1-CG 4.07Å; Y681-P705 HydrophobicContact CE2-CB 4.09Å; Y681-P705 HydrophobicContact CE2-CG 4.33Å; Y681-P705 HydrophobicContact CG-CB 3.55Å; Y681-P705 HydrophobicContact CG-CG 3.7Å; Y681-L751 HydrophobicContact CE1-CD1 3.89Å; Y681-A754 HydrophobicContact CD1-CB 3.87Å; Y681-A754 HydrophobicContact CE1-CB 4.07Å |
| 682 | R | 88.2 | Confident | 88.6 | Confident | 103 Ų | 103 | 26.6 Ų | 26.6 | 39% | 0.389 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 7.5 | -173 | -43.9 | 173.1 | -178.9 | -154.8 | -16.3 | 113.6 | V680 Q746 S750 | V680-R682 PolarHBondContact O-N 3.02Å; R682-Q746 PolarHBondContact NH2-O 3.31Å; R682-S750 WeakPolarHBondContact CG-OG 3.47Å; R682-S750 VanDerWaalsContact CZ-OG 3.28Å; R682-S750 PolarHBondContact NE-OG 3.37Å; R682-S750 PolarHBondContact NH2-OG 3.19Å; R682-S750 VanDerWaalsContact NH2-OG 3.08Å |
| 683 | G | 87.3 | Confident | 89.4 | Confident | 6 Ų | 6 | 28 Ų | 28 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -73.5 | 178.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V680 Y681 V685 A686 E687 | V680-G683 WeakPolarHBondContact O-CA 3.48Å; V680-G683 PolarHBondContact O-N 3.2Å; Y681-G683 PolarHBondContact O-N 2.88Å; G683-V685 VanDerWaalsContact C-N 3.26Å; G683-V685 PolarHBondContact O-N 3.16Å; G683-A686 WeakPolarHBondContact O-CB 3.25Å; G683-A686 PolarHBondContact O-N 3.16Å; G683-A686 VanDerWaalsContact O-N 3.07Å; G683-E687 PolarHBondContact O-N 3.42Å |
| 684 | K | 86.1 | Confident | 89.7 | Confident | 56 Ų | 56 | 29.3 Ų | 29.3 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.3 | -176.2 | -53.5 | 174 | -164.9 | 127.6 | 0 | 112 | E644 P645 R646 K647 L651 E687 | E644-K684 WeakPolarHBondContact OE1-CB 3.27Å; E644-K684 PolarHBondContact OE1-N 2.81Å; P645-K684 PolarHBondContact O-NZ 3.34Å; R646-K684 PolarHBondContact O-NZ 3.39Å; K647-K684 PolarHBondContact O-NZ 2.96Å; L651-K684 HydrophobicContact CD2-CB 3.48Å; L651-K684 VanDerWaalsContact CD2-CB 3.48Å; L651-K684 HydrophobicContact CD2-CD 3.91Å; L651-K684 HydrophobicContact CD2-CG 4.35Å; K684-E687 PolarHBondContact O-N 3.46Å |
| 685 | V | 88.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.1 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | F611 E644 L651 L677 A679 G683 E687 F691 | F611-V685 HydrophobicContact CE1-CB 4.49Å; F611-V685 HydrophobicContact CE1-CG1 4.07Å; F611-V685 HydrophobicContact CZ-CG1 4.17Å; E644-V685 HydrophobicContact CB-CG2 4.21Å; E644-V685 HydrophobicContact CG-CG2 3.84Å; L651-V685 HydrophobicContact CD1-CG2 3.9Å; L677-V685 HydrophobicContact CD2-CG1 3.76Å; L677-V685 HydrophobicContact CD2-CG2 3.91Å; L677-V685 HydrophobicContact CG-CG1 4.44Å; A679-V685 HydrophobicContact CB-CB 3.67Å; A679-V685 HydrophobicContact CB-CG1 3.69Å; A679-V685 HydrophobicContact CB-CG2 4.21Å; G683-V685 VanDerWaalsContact C-N 3.26Å; G683-V685 PolarHBondContact O-N 3.16Å; V685-E687 VanDerWaalsContact C-N 3.31Å; V685-F691 HydrophobicContact CG1-CE2 3.94Å; V685-F691 HydrophobicContact CG1-CZ 3.85Å |
| 686 | A | 86.5 | Confident | 89.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F611 G683 R757 | F611-A686 HydrophobicContact CD1-CB 4.2Å; F611-A686 HydrophobicContact CE1-CB 3.69Å; F611-A686 HydrophobicContact CZ-CB 4.48Å; G683-A686 WeakPolarHBondContact O-CB 3.25Å; G683-A686 PolarHBondContact O-N 3.16Å; G683-A686 VanDerWaalsContact O-N 3.07Å; A686-R757 PolarHBondContact O-NE 3.27Å |
| 687 | E | 79.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 31.6 Ų | 31.6 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -108.4 | 134.4 | -178.2 | -63.9 | -159.6 | 154.3 | 0 | 0 | 112.6 | R152 G683 K684 V685 I689 | R152-E687 IonicContact CZ-OE1 3.12Å; R152-E687 IonicContact NH1-OE1 3.75Å; R152-E687 PolarHBondContact NH1-OE1 3.44Å; R152-E687 IonicContact NH1-OE2 2.65Å; R152-E687 PolarHBondContact NH1-OE2 3.35Å; G683-E687 PolarHBondContact O-N 3.42Å; K684-E687 PolarHBondContact O-N 3.46Å; V685-E687 VanDerWaalsContact C-N 3.31Å; E687-I689 PolarHBondContact O-N 3Å |
| 688 | G | 69.7 | Low | 89.6 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 67% | 0.67 | 17% | 0.169 | S | C | * | . | S | Bend | trans | 71 | -12.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 689 | I | 80.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | trans | -91.4 | 136.4 | 178.4 | -61.5 | 164.4 | 0 | 0 | 0 | 111.2 | L651 L655 E687 F691 R757 R760 | L651-I689 HydrophobicContact CD2-CD1 4.05Å; L655-I689 HydrophobicContact CD1-CD1 3.61Å; L655-I689 HydrophobicContact CD1-CG1 4.38Å; L655-I689 HydrophobicContact CD2-CD1 4.2Å; L655-I689 HydrophobicContact CG-CD1 4.5Å; E687-I689 PolarHBondContact O-N 3Å; I689-F691 HydrophobicContact CB-CD2 4.42Å; I689-F691 HydrophobicContact CB-CE2 3.76Å; I689-F691 HydrophobicContact CB-CZ 4.15Å; I689-F691 HydrophobicContact CG2-CD1 4.49Å; I689-F691 HydrophobicContact CG2-CD2 3.93Å; I689-F691 HydrophobicContact CG2-CE1 4.02Å; I689-F691 HydrophobicContact CG2-CE2 3.39Å; I689-F691 HydrophobicContact CG2-CG 4.44Å; I689-F691 HydrophobicContact CG2-CZ 3.44Å; I689-F691 VanDerWaalsContact CG2-CZ 3.44Å; I689-R757 PolarHBondContact O-NH1 3.36Å; I689-R760 PolarHBondContact O-NH2 2.79Å | ||
| 690 | D | 81.9 | Confident | 89.7 | Confident | 97 Ų | 97 | 31.6 Ų | 31.6 | 52% | 0.519 | 17% | 0.169 | S | C | . | . | trans | -97.8 | 112.8 | 177.9 | -161.5 | 29.9 | 0 | 0 | 0 | 110.6 | R760 | D690-R760 WeakPolarHBondContact OD1-CD 3.45Å; D690-R760 WeakPolarHBondContact OD1-CG 3.42Å; D690-R760 IonicContact OD1-CZ 3.16Å; D690-R760 IonicContact OD1-NE 3.39Å; D690-R760 PolarHBondContact OD1-NE 2.8Å; D690-R760 IonicContact OD1-NH1 3.4Å; D690-R760 PolarHBondContact OD1-NH1 3.19Å; D690-R760 IonicContact OD1-NH2 3.59Å | ||
| 691 | F | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -109.4 | 86.6 | 175.2 | -61.9 | -85.8 | 0 | 0 | 0 | 107.4 | L609 L655 F658 L677 V685 I689 L695 A696 R760 | L609-F691 HydrophobicContact CD1-CB 4.22Å; L609-F691 HydrophobicContact CD1-CD1 4.24Å; L609-F691 HydrophobicContact CD1-CD2 3.59Å; L609-F691 HydrophobicContact CD1-CE2 3.91Å; L609-F691 HydrophobicContact CD1-CG 3.77Å; L609-F691 HydrophobicContact CD1-CZ 4.39Å; L609-F691 HydrophobicContact CD2-CD1 4.11Å; L609-F691 HydrophobicContact CD2-CE1 3.93Å; L609-F691 HydrophobicContact CD2-CE2 4.47Å; L609-F691 HydrophobicContact CD2-CG 4.47Å; L609-F691 HydrophobicContact CD2-CZ 4.13Å; L655-F691 HydrophobicContact CD2-CE1 4.37Å; L655-F691 HydrophobicContact CD2-CZ 4.22Å; F658-F691 HydrophobicContact CD1-CE1 4.25Å; F658-F691 AromaticContact CE1-CD1 3.98Å; F658-F691 HydrophobicContact CE1-CD1 3.98Å; F658-F691 AromaticContact CE1-CE1 3.9Å; F658-F691 HydrophobicContact CE1-CE1 3.9Å; L677-F691 HydrophobicContact CD2-CE1 4.39Å; L677-F691 HydrophobicContact CD2-CZ 4.2Å; V685-F691 HydrophobicContact CG1-CE2 3.94Å; V685-F691 HydrophobicContact CG1-CZ 3.85Å; I689-F691 HydrophobicContact CB-CD2 4.42Å; I689-F691 HydrophobicContact CB-CE2 3.76Å; I689-F691 HydrophobicContact CB-CZ 4.15Å; I689-F691 HydrophobicContact CG2-CD1 4.49Å; I689-F691 HydrophobicContact CG2-CD2 3.93Å; I689-F691 HydrophobicContact CG2-CE1 4.02Å; I689-F691 HydrophobicContact CG2-CE2 3.39Å; I689-F691 HydrophobicContact CG2-CG 4.44Å; I689-F691 HydrophobicContact CG2-CZ 3.44Å; I689-F691 VanDerWaalsContact CG2-CZ 3.44Å; F691-L695 HydrophobicContact CB-CB 4.19Å; F691-L695 HydrophobicContact CD1-CB 4.19Å; F691-A696 HydrophobicContact CB-CB 3.62Å; F691-A696 HydrophobicContact CG-CB 4.42Å; F691-R760 VanDerWaalsContact O-CG 3.31Å; F691-R760 WeakPolarHBondContact O-CG 3.33Å | ||
| 692 | A | 88.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | trans | -90.4 | 149.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R694 L695 R760 | A692-R694 PolarHBondContact O-N 3.43Å; A692-L695 VanDerWaalsContact O-CB 3.26Å; A692-L695 WeakPolarHBondContact O-CB 3.35Å; A692-L695 WeakPolarHBondContact O-CG 3.47Å; A692-L695 PolarHBondContact O-N 3.16Å; A692-L695 VanDerWaalsContact O-N 3.13Å; A692-R760 HydrophobicContact CB-CB 4.06Å; A692-R760 HydrophobicContact CB-CG 4.06Å | ||
| 693 | D | 91.6 | Very high | 90.3 | Very high | 66 Ų | 66 | 26 Ų | 26 | 35% | 0.353 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | 53 | -126.3 | 172.1 | -62.8 | -58.2 | 0 | 0 | 0 | 113.9 | L695 A696 R697 H761 | D693-L695 PolarHBondContact O-N 3.22Å; D693-A696 CarbonylContact O-C 3.51Å; D693-A696 PolarHBondContact O-N 3.42Å; D693-A696 VanDerWaalsContact O-N 3.16Å; D693-R697 PolarHBondContact O-NE 3.12Å; D693-R697 PolarHBondContact O-NH2 3.15Å; D693-R697 IonicContact OD1-NH2 3.2Å; D693-H761 IonicContact OD1-CE1 2.71Å; D693-H761 PolarHBondContact OD1-CE1 2.93Å; D693-H761 IonicContact OD1-NE2 3.93Å; D693-H761 PolarHBondContact OD1-NE2 2.8Å; D693-H761 VanDerWaalsContact OD1-NE2 3.1Å; D693-H761 IonicContact OD2-NE2 3.52Å; D693-H761 PolarHBondContact OD2-NE2 3.49Å |
| 694 | R | 94.2 | Very high | 90.6 | Very high | 82 Ų | 82 | 26 Ų | 26 | 31% | 0.309 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -60.2 | -20.8 | -175.9 | -60.3 | -178.5 | 62.7 | -154.1 | -10.7 | 112.3 | D606 G607 I662 S665 S666 A692 A696 | D606-R694 HydrophobicContact CB-CB 4.04Å; D606-R694 WeakPolarHBondContact CB-O 3.46Å; D606-R694 IonicContact OD1-CZ 3.9Å; D606-R694 IonicContact OD1-NE 3.1Å; D606-R694 PolarHBondContact OD1-NE 3.02Å; D606-R694 IonicContact OD1-NH2 3.34Å; D606-R694 PolarHBondContact OD1-NH2 3.49Å; D606-R694 WeakPolarHBondContact OD2-CB 3.33Å; D606-R694 VanDerWaalsContact OD2-CG 3.25Å; D606-R694 WeakPolarHBondContact OD2-CG 3.37Å; D606-R694 IonicContact OD2-CZ 3.7Å; D606-R694 IonicContact OD2-NE 3.37Å; D606-R694 PolarHBondContact OD2-NE 3.23Å; D606-R694 IonicContact OD2-NH2 3.42Å; G607-R694 PolarHBondContact N-O 3.41Å; I662-R694 HydrophobicContact CG2-CB 3.8Å; I662-R694 PolarHBondContact O-NH2 2.92Å; S665-R694 PolarHBondContact OG-NH2 3.46Å; S665-R694 VanDerWaalsContact OG-NH2 3.09Å; S666-R694 PolarHBondContact OG-NH1 2.75Å; S666-R694 PolarHBondContact OG-NH2 2.99Å; A692-R694 PolarHBondContact O-N 3.43Å; R694-A696 PolarHBondContact O-N 2.94Å |
| 695 | L | 94.6 | Very high | 91 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -66.3 | -24.9 | 179.7 | -59.3 | 176.8 | 0 | 0 | 0 | 112.9 | F658 H659 I662 F691 A692 D693 | F658-L695 WeakPolarHBondContact CE1-O 3.49Å; F658-L695 VanDerWaalsContact CZ-O 3.26Å; F658-L695 WeakPolarHBondContact CZ-O 3.36Å; H659-L695 VanDerWaalsContact CE1-CD1 3.45Å; H659-L695 WeakPolarHBondContact CE1-CD1 3.25Å; H659-L695 WeakPolarHBondContact ND1-CD2 3.27Å; I662-L695 HydrophobicContact CD1-CD2 4.12Å; I662-L695 HydrophobicContact CG2-CD2 4.48Å; F691-L695 HydrophobicContact CB-CB 4.19Å; F691-L695 HydrophobicContact CD1-CB 4.19Å; A692-L695 VanDerWaalsContact O-CB 3.26Å; A692-L695 WeakPolarHBondContact O-CB 3.35Å; A692-L695 WeakPolarHBondContact O-CG 3.47Å; A692-L695 PolarHBondContact O-N 3.16Å; A692-L695 VanDerWaalsContact O-N 3.13Å; D693-L695 PolarHBondContact O-N 3.22Å |
| 696 | A | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -152.2 | 101.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G607 L609 F691 D693 R694 C758 | G607-A696 CarbonylContact O-C 3.48Å; G607-A696 WeakPolarHBondContact O-CA 3.5Å; L609-A696 HydrophobicContact CD1-CB 3.87Å; L609-A696 HydrophobicContact CG-CB 4Å; F691-A696 HydrophobicContact CB-CB 3.62Å; F691-A696 HydrophobicContact CG-CB 4.42Å; D693-A696 CarbonylContact O-C 3.51Å; D693-A696 PolarHBondContact O-N 3.42Å; D693-A696 VanDerWaalsContact O-N 3.16Å; R694-A696 PolarHBondContact O-N 2.94Å; A696-C758 HydrophobicContact CB-CB 3.63Å; A696-C758 WeakPolarHBondContact O-CB 3.3Å | ||
| 697 | R | 96.2 | Very high | 91.5 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 6% | 0.06 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -93.8 | -19.6 | 172.3 | -66.6 | -70.2 | 161.3 | -144 | 5.3 | 113 | I604 P605 D606 G607 D693 D764 W765 G766 A767 | I604-R697 HydrophobicContact CG2-CB 3.79Å; P605-R697 HydrophobicContact CG-CG 4.48Å; D606-R697 HydrophobicContact CB-CG 4.28Å; G607-R697 PolarHBondContact O-N 2.86Å; D693-R697 PolarHBondContact O-NE 3.12Å; D693-R697 PolarHBondContact O-NH2 3.15Å; D693-R697 IonicContact OD1-NH2 3.2Å; R697-D764 IonicContact CZ-OD1 3.78Å; R697-D764 IonicContact NH1-OD1 2.76Å; R697-D764 PolarHBondContact NH1-OD1 3Å; R697-D764 IonicContact NH2-OD1 3.42Å; R697-W765 HydrophobicContact CB-CH2 4.14Å; R697-W765 HydrophobicContact CB-CZ3 4.26Å; R697-W765 VanDerWaalsContact CD-CZ2 3.45Å; R697-W765 HydrophobicContact CG-CH2 4.25Å; R697-W765 HydrophobicContact CG-CZ2 4.33Å; R697-W765 PolarHBondContact NH1-O 3.13Å; R697-G766 WeakPolarHBondContact O-CA 3.24Å; R697-A767 PolarHBondContact O-N 3.3Å |
| 698 | A | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I604 G607 V608 L609 A767 | I604-A698 HydrophobicContact CB-CB 4.43Å; I604-A698 HydrophobicContact CD1-CB 4.05Å; I604-A698 HydrophobicContact CG1-CB 3.85Å; I604-A698 HydrophobicContact CG2-CB 3.83Å; G607-A698 PolarHBondContact O-N 2.96Å; V608-A698 HydrophobicContact CG1-CB 4.35Å; V608-A698 HydrophobicContact CG2-CB 4.37Å; L609-A698 PolarHBondContact N-O 2.89Å; A698-A767 CarbonylContact C-O 3.59Å; A698-A767 WeakPolarHBondContact CA-O 3.36Å; A698-A767 HydrophobicContact CB-CB 4.12Å |
| 699 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | 161.3 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | L609 F611 T701 L755 R757 C758 A767 L768 I769 | L609-V699 HydrophobicContact CB-CG2 4.36Å; L609-V699 HydrophobicContact CD1-CG2 4.38Å; L609-V699 CarbonylContact O-C 3.51Å; L609-V699 WeakPolarHBondContact O-CA 3.41Å; F611-V699 HydrophobicContact CD2-CG1 3.76Å; F611-V699 HydrophobicContact CE2-CG1 3.85Å; V699-T701 HydrophobicContact CG1-CG2 3.97Å; V699-L755 HydrophobicContact CG1-CD2 4.35Å; V699-R757 HydrophobicContact CG2-CB 4.16Å; V699-C758 HydrophobicContact CG2-CB 3.78Å; V699-A767 PolarHBondContact N-O 3.45Å; V699-L768 HydrophobicContact CB-CD2 4.2Å; V699-I769 PolarHBondContact O-N 2.99Å |
| 700 | V | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.7 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | L597 I600 V608 L609 C610 F611 I769 L771 | L597-V700 HydrophobicContact CD2-CB 4.34Å; L597-V700 HydrophobicContact CD2-CG1 3.84Å; I600-V700 HydrophobicContact CD1-CG1 4.47Å; I600-V700 HydrophobicContact CD1-CG2 4.41Å; I600-V700 HydrophobicContact CG2-CG2 4.11Å; V608-V700 HydrophobicContact CG1-CG2 3.94Å; L609-V700 PolarHBondContact O-N 3.07Å; C610-V700 CarbonylContact C-O 3.59Å; C610-V700 VanDerWaalsContact CA-O 3.23Å; C610-V700 WeakPolarHBondContact CA-O 3.42Å; C610-V700 HydrophobicContact CB-CB 4.34Å; F611-V700 PolarHBondContact N-O 3.39Å; V700-I769 CarbonylContact C-O 3.43Å; V700-I769 VanDerWaalsContact CA-O 3.28Å; V700-I769 WeakPolarHBondContact CA-O 3.48Å; V700-I769 HydrophobicContact CG2-CB 4.33Å; V700-I769 HydrophobicContact CG2-CD1 4.46Å; V700-L771 HydrophobicContact CG1-CD1 3.46Å; V700-L771 VanDerWaalsContact CG1-CD1 3.46Å; V700-L771 HydrophobicContact CG1-CG 3.81Å |
| 701 | T | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.7 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 108.8 | Y681 V699 L751 A754 L755 I769 M770 L771 | Y681-T701 HydrophobicContact CE1-CG2 4.07Å; Y681-T701 WeakPolarHBondContact OH-CA 3.41Å; Y681-T701 WeakPolarHBondContact OH-CB 3.25Å; V699-T701 HydrophobicContact CG1-CG2 3.97Å; T701-L751 HydrophobicContact CG2-CD1 3.79Å; T701-A754 HydrophobicContact CG2-CB 4.4Å; T701-L755 HydrophobicContact CG2-CD2 3.52Å; T701-L755 HydrophobicContact CG2-CG 4.01Å; T701-I769 PolarHBondContact N-O 3.39Å; T701-I769 PolarHBondContact OG1-O 3.37Å; T701-M770 WeakPolarHBondContact OG1-CA 3.41Å; T701-M770 WeakPolarHBondContact OG1-CG 3.36Å; T701-L771 PolarHBondContact O-N 2.85Å |
| 702 | V | 97.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.6 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | A579 F589 L593 F611 L612 P613 Y681 L771 | A579-V702 HydrophobicContact CB-CG1 4.04Å; F589-V702 HydrophobicContact CZ-CG1 4.14Å; L593-V702 HydrophobicContact CD1-CG1 4.28Å; L593-V702 HydrophobicContact CD1-CG2 3.77Å; L593-V702 HydrophobicContact CD2-CG1 3.89Å; L593-V702 HydrophobicContact CD2-CG2 4.19Å; F611-V702 PolarHBondContact O-N 3.29Å; L612-V702 HydrophobicContact CD2-CB 3.8Å; L612-V702 HydrophobicContact CD2-CG1 3.94Å; L612-V702 HydrophobicContact CD2-CG2 4Å; P613-V702 VanDerWaalsContact CD-O 3.3Å; P613-V702 WeakPolarHBondContact CD-O 3.5Å; P613-V702 WeakPolarHBondContact CG-O 3.39Å; Y681-V702 WeakPolarHBondContact CE2-O 3.16Å; Y681-V702 PolarHBondContact OH-N 2.85Å; Y681-V702 VanDerWaalsContact OH-N 3.09Å; Y681-V702 PolarHBondContact OH-O 2.94Å; V702-L771 HydrophobicContact CG2-CD1 4.3Å |
| 703 | G | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 71.4 | -174.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y681 L771 D772 | Y681-G703 PolarHBondContact OH-O 2.78Å; Y681-G703 VanDerWaalsContact OH-O 3.13Å; G703-L771 PolarHBondContact N-O 2.96Å; G703-D772 WeakPolarHBondContact CA-OD2 3.3Å |
| 704 | I | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -117.6 | 119.3 | 177.5 | -56.2 | 173.5 | 0 | 0 | 0 | 107.5 | Y706 A747 F748 R774 F775 F780 | I704-Y706 VanDerWaalsContact C-N 3.27Å; I704-Y706 HydrophobicContact CB-CD2 4.07Å; I704-Y706 HydrophobicContact CB-CE2 3.79Å; I704-Y706 HydrophobicContact CD1-CE2 4.49Å; I704-Y706 HydrophobicContact CG2-CD2 3.81Å; I704-Y706 HydrophobicContact CG2-CE2 3.43Å; I704-Y706 VanDerWaalsContact CG2-CE2 3.43Å; I704-Y706 WeakPolarHBondContact O-CD2 3.29Å; I704-Y706 PolarHBondContact O-N 3.19Å; I704-A747 HydrophobicContact CG2-CB 3.85Å; I704-F748 HydrophobicContact CG2-CE2 4.44Å; I704-R774 HydrophobicContact CD1-CB 4.13Å; I704-F775 HydrophobicContact CD1-CZ 4.33Å; I704-F775 HydrophobicContact CG1-CE1 4.49Å; I704-F775 HydrophobicContact CG1-CE2 4.15Å; I704-F775 HydrophobicContact CG1-CZ 3.86Å; I704-F780 HydrophobicContact CD1-CD1 3.46Å; I704-F780 VanDerWaalsContact CD1-CD1 3.46Å; I704-F780 HydrophobicContact CD1-CE1 3.47Å; I704-F780 VanDerWaalsContact CD1-CE1 3.47Å; I704-F780 HydrophobicContact CD1-CG 4.4Å; I704-F780 HydrophobicContact CD1-CZ 4.41Å | ||
| 705 | P | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | trans | -80.7 | 68.5 | -170.3 | 33.3 | -37.2 | 0 | 0 | 0 | 112.2 | Y681 A747 L751 | Y681-P705 HydrophobicContact CD1-CB 4.14Å; Y681-P705 HydrophobicContact CD1-CG 3.74Å; Y681-P705 HydrophobicContact CD2-CB 3.55Å; Y681-P705 HydrophobicContact CD2-CG 4.02Å; Y681-P705 HydrophobicContact CE1-CG 4.07Å; Y681-P705 HydrophobicContact CE2-CB 4.09Å; Y681-P705 HydrophobicContact CE2-CG 4.33Å; Y681-P705 HydrophobicContact CG-CB 3.55Å; Y681-P705 HydrophobicContact CG-CG 3.7Å; P705-A747 WeakPolarHBondContact CG-O 3.09Å; P705-A747 WeakPolarHBondContact O-CA 3.16Å; P705-A747 WeakPolarHBondContact O-CB 3.31Å; P705-L751 HydrophobicContact CG-CB 4.44Å | ||
| 706 | Y | 93.7 | Very high | 94 | Very high | 87 Ų | 87 | 35.9 Ų | 35.9 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | trans | -61.3 | 139.1 | 173 | -75.3 | -81.8 | 0 | 0 | 0 | 111.1 | I704 L743 K744 A747 F780 | I704-Y706 VanDerWaalsContact C-N 3.27Å; I704-Y706 HydrophobicContact CB-CD2 4.07Å; I704-Y706 HydrophobicContact CB-CE2 3.79Å; I704-Y706 HydrophobicContact CD1-CE2 4.49Å; I704-Y706 HydrophobicContact CG2-CD2 3.81Å; I704-Y706 HydrophobicContact CG2-CE2 3.43Å; I704-Y706 VanDerWaalsContact CG2-CE2 3.43Å; I704-Y706 WeakPolarHBondContact O-CD2 3.29Å; I704-Y706 PolarHBondContact O-N 3.19Å; Y706-L743 HydrophobicContact CD1-CB 4.4Å; Y706-K744 HydrophobicContact CE1-CB 4.14Å; Y706-A747 HydrophobicContact CD1-CB 3.87Å; Y706-A747 HydrophobicContact CE1-CB 4.15Å; Y706-A747 HydrophobicContact CG-CB 4.08Å; Y706-F780 WeakPolarHBondContact OH-CE1 3.38Å | ||
| 707 | P | 91.8 | Very high | 94 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | trans | -54.9 | 149.9 | 169.9 | -23.2 | 33 | 0 | 0 | 0 | 111.6 | V709 I714 L743 Q746 | P707-V709 PolarHBondContact O-N 3.43Å; P707-I714 HydrophobicContact CB-CD1 3.52Å; P707-I714 HydrophobicContact CB-CG1 4.38Å; P707-I714 HydrophobicContact CB-CG2 4.2Å; P707-L743 HydrophobicContact CB-CD2 3.91Å; P707-L743 HydrophobicContact CG-CD2 3.88Å; P707-Q746 HydrophobicContact CG-CB 3.67Å; P707-Q746 HydrophobicContact CG-CG 4.43Å | ||
| 708 | N | 90.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | trans | -67.4 | 106.4 | -179.6 | -178.8 | 13.1 | 0 | 0 | 0 | 110.7 | K710 D711 I714 | N708-K710 PolarHBondContact O-N 3.23Å; N708-K710 VanDerWaalsContact O-N 3.16Å; N708-K710 WeakPolarHBondContact OD1-CB 3.31Å; N708-K710 PolarHBondContact OD1-N 3.05Å; N708-D711 HydrophobicContact CB-CB 4.4Å; N708-D711 WeakPolarHBondContact O-CB 3.4Å; N708-D711 PolarHBondContact O-N 2.89Å; N708-I714 VanDerWaalsContact O-CD1 3.3Å; N708-I714 WeakPolarHBondContact O-CD1 3.06Å | ||
| 709 | V | 85.7 | Confident | 93.7 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 49% | 0.485 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.5 | 179.1 | -62.8 | 0 | 0 | 0 | 0 | 114 | P707 D711 L743 | P707-V709 PolarHBondContact O-N 3.43Å; V709-D711 VanDerWaalsContact C-N 3.31Å; V709-L743 HydrophobicContact CG1-CD1 3.95Å |
| 710 | K | 86.8 | Confident | 93.4 | Very high | 156 Ų | 156 | 44.3 Ų | 44.3 | 68% | 0.678 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.2 | 172.2 | -61.4 | -173.5 | 177 | -173.9 | 0 | 112.7 | N708 V712 | N708-K710 PolarHBondContact O-N 3.23Å; N708-K710 VanDerWaalsContact O-N 3.16Å; N708-K710 WeakPolarHBondContact OD1-CB 3.31Å; N708-K710 PolarHBondContact OD1-N 3.05Å; K710-V712 PolarHBondContact O-N 3.3Å |
| 711 | D | 90.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -66.4 | 124.8 | 170.7 | -177.6 | -43.5 | 0 | 0 | 0 | 108.6 | N708 V709 R713 I714 S715 | N708-D711 HydrophobicContact CB-CB 4.4Å; N708-D711 WeakPolarHBondContact O-CB 3.4Å; N708-D711 PolarHBondContact O-N 2.89Å; V709-D711 VanDerWaalsContact C-N 3.31Å; D711-R713 VanDerWaalsContact C-N 3.31Å; D711-R713 PolarHBondContact O-N 3Å; D711-R713 WeakPolarHBondContact OD1-CB 3.33Å; D711-R713 PolarHBondContact OD1-N 3.37Å; D711-I714 HydrophobicContact CB-CB 4.04Å; D711-I714 HydrophobicContact CB-CD1 3.77Å; D711-I714 HydrophobicContact CB-CG1 3.97Å; D711-I714 WeakPolarHBondContact O-CB 3.45Å; D711-I714 PolarHBondContact O-N 2.81Å; D711-I714 VanDerWaalsContact O-N 3.17Å; D711-I714 PolarHBondContact OD1-N 3.23Å; D711-S715 PolarHBondContact O-N 3.28Å |
| 712 | V | 92.7 | Very high | 92.8 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | -175.9 | 178 | 0 | 0 | 0 | 0 | 111.9 | I383 W509 K710 I714 S715 L716 | I383-V712 HydrophobicContact CD1-CG1 3.26Å; W509-V712 HydrophobicContact CZ3-CG1 4.26Å; K710-V712 PolarHBondContact O-N 3.3Å; V712-I714 VanDerWaalsContact C-N 3.32Å; V712-I714 PolarHBondContact O-N 3.23Å; V712-S715 PolarHBondContact O-N 3.07Å; V712-L716 HydrophobicContact CG1-CD1 3.95Å; V712-L716 HydrophobicContact CG1-CG 4.34Å; V712-L716 WeakPolarHBondContact O-CB 3.45Å; V712-L716 VanDerWaalsContact O-CG 3.28Å; V712-L716 WeakPolarHBondContact O-CG 3.2Å; V712-L716 PolarHBondContact O-N 3.44Å |
| 713 | R | 93.9 | Very high | 92.3 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.4 | -64.8 | -171.4 | -175 | -170.5 | 5.7 | 111 | E316 W509 D711 K717 | E316-R713 IonicContact OE2-NH1 2.79Å; E316-R713 PolarHBondContact OE2-NH1 2.89Å; W509-R713 HydrophobicContact CD2-CG 4.2Å; W509-R713 HydrophobicContact CE3-CG 3.99Å; W509-R713 HydrophobicContact CH2-CG 4.1Å; W509-R713 HydrophobicContact CZ2-CG 4.32Å; W509-R713 HydrophobicContact CZ3-CG 3.93Å; D711-R713 VanDerWaalsContact C-N 3.31Å; D711-R713 PolarHBondContact O-N 3Å; D711-R713 WeakPolarHBondContact OD1-CB 3.33Å; D711-R713 PolarHBondContact OD1-N 3.37Å; R713-K717 VanDerWaalsContact O-CB 3.27Å; R713-K717 WeakPolarHBondContact O-CB 3.44Å; R713-K717 PolarHBondContact O-N 3.23Å |
| 714 | I | 94.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.8 | -67.9 | 175.2 | 0 | 0 | 0 | 110.6 | P707 N708 D711 V712 K717 R718 W742 L743 | P707-I714 HydrophobicContact CB-CD1 3.52Å; P707-I714 HydrophobicContact CB-CG1 4.38Å; P707-I714 HydrophobicContact CB-CG2 4.2Å; N708-I714 VanDerWaalsContact O-CD1 3.3Å; N708-I714 WeakPolarHBondContact O-CD1 3.06Å; D711-I714 HydrophobicContact CB-CB 4.04Å; D711-I714 HydrophobicContact CB-CD1 3.77Å; D711-I714 HydrophobicContact CB-CG1 3.97Å; D711-I714 WeakPolarHBondContact O-CB 3.45Å; D711-I714 PolarHBondContact O-N 2.81Å; D711-I714 VanDerWaalsContact O-N 3.17Å; D711-I714 PolarHBondContact OD1-N 3.23Å; V712-I714 VanDerWaalsContact C-N 3.32Å; V712-I714 PolarHBondContact O-N 3.23Å; I714-K717 PolarHBondContact O-N 3.39Å; I714-R718 WeakPolarHBondContact O-CB 3.35Å; I714-R718 PolarHBondContact O-N 3.31Å; I714-W742 HydrophobicContact CG2-CZ3 4.21Å; I714-L743 HydrophobicContact CG2-CD2 3.65Å |
| 715 | S | 94.4 | Very high | 91.3 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | D711 V712 R718 Q719 | D711-S715 PolarHBondContact O-N 3.28Å; V712-S715 PolarHBondContact O-N 3.07Å; S715-R718 WeakPolarHBondContact O-CB 3.25Å; S715-R718 PolarHBondContact O-N 3.36Å; S715-Q719 PolarHBondContact O-N 2.84Å |
| 716 | L | 94.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.4 | -70.8 | 170.7 | 0 | 0 | 0 | 112.3 | I383 C470 W509 M511 V712 R718 Q719 Y720 | I383-L716 HydrophobicContact CD1-CD1 4.32Å; I383-L716 HydrophobicContact CG2-CD1 3.93Å; I383-L716 HydrophobicContact CG2-CD2 4.04Å; C470-L716 HydrophobicContact CB-CD1 4.36Å; W509-L716 HydrophobicContact CE3-CD1 3.86Å; W509-L716 HydrophobicContact CZ3-CD1 3.8Å; M511-L716 HydrophobicContact CE-CB 4.16Å; M511-L716 HydrophobicContact CE-CD1 4.45Å; M511-L716 HydrophobicContact SD-CB 4.41Å; V712-L716 HydrophobicContact CG1-CD1 3.95Å; V712-L716 HydrophobicContact CG1-CG 4.34Å; V712-L716 WeakPolarHBondContact O-CB 3.45Å; V712-L716 VanDerWaalsContact O-CG 3.28Å; V712-L716 WeakPolarHBondContact O-CG 3.2Å; V712-L716 PolarHBondContact O-N 3.44Å; L716-R718 VanDerWaalsContact C-N 3.3Å; L716-R718 PolarHBondContact O-N 3.42Å; L716-Q719 PolarHBondContact O-N 3.03Å; L716-Y720 WeakPolarHBondContact O-CB 3.36Å; L716-Y720 PolarHBondContact O-N 3.45Å |
| 717 | K | 94.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.3 | 176 | 52.6 | 179.2 | 158.7 | 0 | 111.6 | M511 E543 R713 I714 Y720 N721 W742 | M511-K717 HydrophobicContact CB-CD 4.28Å; M511-K717 WeakPolarHBondContact O-CD 3.46Å; M511-K717 WeakPolarHBondContact O-CE 3.43Å; M511-K717 PolarHBondContact O-NZ 2.93Å; M511-K717 HydrophobicContact SD-CB 3.99Å; E543-K717 IonicContact OE1-NZ 3.72Å; E543-K717 PolarHBondContact OE1-NZ 3.42Å; E543-K717 VanDerWaalsContact OE1-NZ 3.16Å; E543-K717 WeakPolarHBondContact OE2-CE 3.3Å; E543-K717 IonicContact OE2-NZ 2.64Å; E543-K717 PolarHBondContact OE2-NZ 3.27Å; R713-K717 VanDerWaalsContact O-CB 3.27Å; R713-K717 WeakPolarHBondContact O-CB 3.44Å; R713-K717 PolarHBondContact O-N 3.23Å; I714-K717 PolarHBondContact O-N 3.39Å; K717-Y720 HydrophobicContact CD-CD1 4.23Å; K717-Y720 PolarHBondContact O-N 2.82Å; K717-N721 PolarHBondContact NZ-OD1 2.83Å; K717-N721 PolarHBondContact O-N 2.78Å; K717-N721 VanDerWaalsContact O-N 3.08Å; K717-W742 HydrophobicContact CB-CH2 4.26Å; K717-W742 HydrophobicContact CB-CZ3 4.34Å; K717-W742 HydrophobicContact CG-CD2 4.16Å; K717-W742 HydrophobicContact CG-CE3 4.11Å; K717-W742 HydrophobicContact CG-CH2 3.69Å; K717-W742 HydrophobicContact CG-CZ2 3.74Å; K717-W742 HydrophobicContact CG-CZ3 3.87Å |
| 718 | R | 94.3 | Very high | 88.5 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 174.7 | -175 | -167.2 | 167.2 | 179.8 | -5.4 | 110.9 | I714 S715 L716 Y720 N721 D722 L743 | I714-R718 WeakPolarHBondContact O-CB 3.35Å; I714-R718 PolarHBondContact O-N 3.31Å; S715-R718 WeakPolarHBondContact O-CB 3.25Å; S715-R718 PolarHBondContact O-N 3.36Å; L716-R718 VanDerWaalsContact C-N 3.3Å; L716-R718 PolarHBondContact O-N 3.42Å; R718-Y720 PolarHBondContact O-N 2.93Å; R718-N721 PolarHBondContact O-N 2.91Å; R718-D722 IonicContact NE-OD2 3.92Å; R718-D722 PolarHBondContact O-N 3.43Å; R718-L743 HydrophobicContact CG-CD1 4.37Å |
| 719 | Q | 92.4 | Very high | 86.9 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 177.4 | -177.1 | -176.3 | -7.1 | 0 | 0 | 111.7 | S715 L716 N721 D722 C723 | S715-Q719 PolarHBondContact O-N 2.84Å; L716-Q719 PolarHBondContact O-N 3.03Å; Q719-N721 VanDerWaalsContact C-N 3.34Å; Q719-N721 PolarHBondContact O-N 3.15Å; Q719-D722 PolarHBondContact O-N 3.01Å; Q719-C723 WeakPolarHBondContact O-CB 3.5Å; Q719-C723 PolarHBondContact O-N 3.24Å; Q719-C723 PolarHBondContact O-SG 2.84Å; Q719-C723 VanDerWaalsContact O-SG 3.36Å |
| 720 | Y | 92.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.4 | -47.4 | 175.9 | 167.6 | -98.5 | 0 | 0 | 0 | 111.8 | T466 Y467 S468 M511 N512 L716 K717 R718 C723 R724 | T466-Y720 HydrophobicContact CG2-CD2 3.77Å; T466-Y720 HydrophobicContact CG2-CE2 3.77Å; Y467-Y720 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y720 WeakPolarHBondContact O-CE2 3.29Å; S468-Y720 PolarHBondContact OG-OH 3.08Å; M511-Y720 HydrophobicContact CB-CD1 3.66Å; M511-Y720 HydrophobicContact CB-CD2 3.97Å; M511-Y720 HydrophobicContact CB-CE1 4.12Å; M511-Y720 HydrophobicContact CB-CE2 4.4Å; M511-Y720 HydrophobicContact CB-CG 3.58Å; M511-Y720 HydrophobicContact CG-CG 4.26Å; N512-Y720 HydrophobicContact CB-CE1 4.42Å; N512-Y720 WeakPolarHBondContact CB-OH 3.42Å; L716-Y720 WeakPolarHBondContact O-CB 3.36Å; L716-Y720 PolarHBondContact O-N 3.45Å; K717-Y720 HydrophobicContact CD-CD1 4.23Å; K717-Y720 PolarHBondContact O-N 2.82Å; R718-Y720 PolarHBondContact O-N 2.93Å; Y720-C723 PolarHBondContact O-N 3.41Å; Y720-R724 WeakPolarHBondContact O-CB 3.37Å; Y720-R724 PolarHBondContact O-N 3.28Å; Y720-R724 PolarHBondContact OH-NH1 3.17Å |
| 721 | N | 91.9 | Very high | 83.7 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 178 | -83.4 | 18.2 | 0 | 0 | 0 | 112.4 | E543 K717 R718 Q719 R724 L725 I737 | E543-N721 PolarHBondContact OE1-ND2 2.87Å; E543-N721 PolarHBondContact OE1-OD1 2.89Å; K717-N721 PolarHBondContact NZ-OD1 2.83Å; K717-N721 PolarHBondContact O-N 2.78Å; K717-N721 VanDerWaalsContact O-N 3.08Å; R718-N721 PolarHBondContact O-N 2.91Å; Q719-N721 VanDerWaalsContact C-N 3.34Å; Q719-N721 PolarHBondContact O-N 3.15Å; N721-R724 PolarHBondContact O-N 2.94Å; N721-L725 WeakPolarHBondContact O-CB 3.47Å; N721-L725 PolarHBondContact O-N 3.43Å; N721-I737 WeakPolarHBondContact CB-O 3.28Å |
| 722 | D | 91.7 | Very high | 81.6 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178 | -69.1 | -23.9 | 0 | 0 | 0 | 111.6 | R718 Q719 L725 S726 G739 | R718-D722 IonicContact NE-OD2 3.92Å; R718-D722 PolarHBondContact O-N 3.43Å; Q719-D722 PolarHBondContact O-N 3.01Å; D722-L725 PolarHBondContact O-N 3.37Å; D722-S726 PolarHBondContact O-N 2.9Å; D722-S726 VanDerWaalsContact O-N 3.08Å; D722-S726 PolarHBondContact O-OG 3.34Å; D722-G739 PolarHBondContact OD1-N 3.17Å |
| 723 | C | 88.2 | Confident | 79.7 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 173.4 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | T466 Q719 Y720 L725 S726 G727 | T466-C723 HydrophobicContact CG2-CB 3.9Å; T466-C723 PolarHBondContact OG1-O 3.22Å; Q719-C723 WeakPolarHBondContact O-CB 3.5Å; Q719-C723 PolarHBondContact O-N 3.24Å; Q719-C723 PolarHBondContact O-SG 2.84Å; Q719-C723 VanDerWaalsContact O-SG 3.36Å; Y720-C723 PolarHBondContact O-N 3.41Å; C723-L725 VanDerWaalsContact C-N 3.28Å; C723-L725 PolarHBondContact O-N 3.44Å; C723-S726 PolarHBondContact O-N 2.94Å; C723-S726 PolarHBondContact O-OG 2.89Å; C723-G727 PolarHBondContact O-N 3.01Å |
| 724 | R | 84.5 | Confident | 77.9 | Confident | 41 Ų | 41 | 73.5 Ų | 73.5 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 179 | -169.1 | 174.6 | -178.9 | 175.4 | -4 | 111.6 | N464 T466 N512 Y720 N721 F736 | N464-R724 PolarHBondContact ND2-O 3.41Å; T466-R724 HydrophobicContact CG2-CB 4.07Å; N512-R724 PolarHBondContact OD1-NH1 3.45Å; Y720-R724 WeakPolarHBondContact O-CB 3.37Å; Y720-R724 PolarHBondContact O-N 3.28Å; Y720-R724 PolarHBondContact OH-NH1 3.17Å; N721-R724 PolarHBondContact O-N 2.94Å; R724-F736 HydrophobicContact CG-CD1 4.06Å; R724-F736 HydrophobicContact CG-CD2 4.17Å; R724-F736 HydrophobicContact CG-CE1 4.19Å; R724-F736 HydrophobicContact CG-CE2 4.22Å; R724-F736 HydrophobicContact CG-CG 4.08Å; R724-F736 HydrophobicContact CG-CZ 4.23Å; R724-F736 VanDerWaalsContact NH2-CE1 3.26Å |
| 725 | L | 84.7 | Confident | 76.7 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 39% | 0.393 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 176.3 | -176 | 64.1 | 0 | 0 | 0 | 111.8 | N721 D722 C723 F736 | N721-L725 WeakPolarHBondContact O-CB 3.47Å; N721-L725 PolarHBondContact O-N 3.43Å; D722-L725 PolarHBondContact O-N 3.37Å; C723-L725 VanDerWaalsContact C-N 3.28Å; C723-L725 PolarHBondContact O-N 3.44Å; L725-F736 HydrophobicContact CD1-CB 4.06Å |
| 726 | S | 82 | Confident | 76.1 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.3 | -31.7 | -178.4 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | D722 C723 C728 | D722-S726 PolarHBondContact O-N 2.9Å; D722-S726 VanDerWaalsContact O-N 3.08Å; D722-S726 PolarHBondContact O-OG 3.34Å; C723-S726 PolarHBondContact O-N 2.94Å; C723-S726 PolarHBondContact O-OG 2.89Å; S726-C728 VanDerWaalsContact C-N 3.28Å; S726-C728 PolarHBondContact O-N 3.04Å |
| 727 | G | 73.1 | Confident | 75.8 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.4 | -24.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N464 C723 R729 | N464-G727 PolarHBondContact OD1-O 3.29Å; C723-G727 PolarHBondContact O-N 3.01Å; G727-R729 PolarHBondContact O-N 2.95Å |
| 728 | C | 65.1 | Low | 75.6 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | trans | -74.8 | 93.8 | -170.7 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | N464 S726 D730 F736 | N464-C728 WeakPolarHBondContact OD1-CA 3.45Å; N464-C728 PolarHBondContact OD1-N 3.05Å; S726-C728 VanDerWaalsContact C-N 3.28Å; S726-C728 PolarHBondContact O-N 3.04Å; C728-D730 PolarHBondContact SG-O 3.16Å; C728-F736 HydrophobicContact CB-CD2 3.9Å; C728-F736 HydrophobicContact CB-CE2 4.04Å | ||
| 729 | R | 57 | Low | 75.6 | Confident | 220 Ų | 220 | 70.6 Ų | 70.6 | 83% | 0.83 | 39% | 0.387 | S | S | * | . | trans | -71.4 | -35 | 173.9 | -67.1 | -175.7 | 178 | -174.7 | 0.7 | 112.2 | G727 K731 | G727-R729 PolarHBondContact O-N 2.95Å; R729-K731 PolarHBondContact O-N 3.47Å | ||
| 730 | D | 56.5 | Low | 75.6 | Confident | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | trans | -91.1 | 104.4 | -179.7 | -65.4 | -35.5 | 0 | 0 | 0 | 110.8 | C728 V732 | C728-D730 PolarHBondContact SG-O 3.16Å; D730-V732 PolarHBondContact O-N 2.81Å | ||
| 731 | K | 49.7 | Very low | 75.6 | Confident | 200 Ų | 200 | 73.2 Ų | 73.2 | 87% | 0.87 | 41% | 0.407 | S | S | * | . | trans | -71.8 | 1.2 | 174.9 | -68.2 | -177.1 | 178.2 | 177.1 | 0 | 113.7 | R729 G733 | R729-K731 PolarHBondContact O-N 3.47Å; K731-G733 PolarHBondContact O-N 3.15Å | ||
| 732 | V | 46.5 | Very low | 75.6 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 84% | 0.842 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -89.6 | 104.7 | -171.4 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | D730 | D730-V732 PolarHBondContact O-N 2.81Š|
| 733 | G | 50.9 | Low | 75.7 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 84% | 0.835 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 96.5 | -19 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | K731 | K731-G733 PolarHBondContact O-N 3.15Š|
| 734 | K | 57 | Low | 75.9 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 54% | 0.543 | 40% | 0.395 | S | S | . | . | trans | -112.8 | 104.8 | 175 | -71.4 | -179.2 | -177.6 | 171 | 0 | 111.2 | F736 | K734-F736 HydrophobicContact CB-CE1 4.31Å; K734-F736 HydrophobicContact CB-CE2 4.19Å; K734-F736 HydrophobicContact CB-CZ 3.99Å; K734-F736 HydrophobicContact CD-CE1 4.45Å; K734-F736 HydrophobicContact CD-CZ 3.85Å; K734-F736 HydrophobicContact CG-CZ 4.48Å; K734-F736 PolarHBondContact O-N 3.35Å | ||
| 735 | C | 68.8 | Low | 76.2 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | trans | -85.9 | 76.9 | 177.7 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | S542 | S542-C735 WeakPolarHBondContact CB-O 3.48Å; S542-C735 PolarHBondContact OG-O 3.3Å | ||
| 736 | F | 82.9 | Confident | 76.6 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | trans | -64 | 149.1 | 172.1 | -62 | -49.4 | 0 | 0 | 0 | 111.1 | R724 L725 C728 K734 | R724-F736 HydrophobicContact CG-CD1 4.06Å; R724-F736 HydrophobicContact CG-CD2 4.17Å; R724-F736 HydrophobicContact CG-CE1 4.19Å; R724-F736 HydrophobicContact CG-CE2 4.22Å; R724-F736 HydrophobicContact CG-CG 4.08Å; R724-F736 HydrophobicContact CG-CZ 4.23Å; R724-F736 VanDerWaalsContact NH2-CE1 3.26Å; L725-F736 HydrophobicContact CD1-CB 4.06Å; C728-F736 HydrophobicContact CB-CD2 3.9Å; C728-F736 HydrophobicContact CB-CE2 4.04Å; K734-F736 HydrophobicContact CB-CE1 4.31Å; K734-F736 HydrophobicContact CB-CE2 4.19Å; K734-F736 HydrophobicContact CB-CZ 3.99Å; K734-F736 HydrophobicContact CD-CE1 4.45Å; K734-F736 HydrophobicContact CD-CZ 3.85Å; K734-F736 HydrophobicContact CG-CZ 4.48Å; K734-F736 PolarHBondContact O-N 3.35Å | ||
| 737 | I | 87.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -106.6 | 142.2 | 179 | 65.8 | 177 | 0 | 0 | 0 | 110 | T539 E543 N721 Q741 W742 | T539-I737 HydrophobicContact CG2-CG2 3.71Å; E543-I737 HydrophobicContact CG-CD1 3.74Å; E543-I737 HydrophobicContact CG-CG1 4.5Å; E543-I737 WeakPolarHBondContact OE1-CD1 3.23Å; N721-I737 WeakPolarHBondContact CB-O 3.28Å; I737-Q741 HydrophobicContact CB-CB 4.42Å; I737-Q741 HydrophobicContact CB-CG 4.29Å; I737-W742 HydrophobicContact CD1-CB 3.75Å; I737-W742 HydrophobicContact CD1-CG 4.28Å; I737-W742 HydrophobicContact CG1-CB 4.3Å | ||
| 738 | S | 91.7 | Very high | 78.1 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -66.6 | 158.1 | 171.1 | 63.2 | 0 | 0 | 0 | 0 | 111 | S740 Q741 W742 | S738-S740 PolarHBondContact O-N 3.38Å; S738-Q741 PolarHBondContact O-N 2.95Å; S738-Q741 VanDerWaalsContact O-N 3.14Å; S738-Q741 VanDerWaalsContact OG-CB 3.3Å; S738-Q741 WeakPolarHBondContact OG-CB 3.43Å; S738-Q741 PolarHBondContact OG-N 3.46Å; S738-Q741 VanDerWaalsContact OG-N 3.12Å; S738-W742 PolarHBondContact O-N 3.03Å | ||
| 739 | G | 93.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D722 W742 L743 | D722-G739 PolarHBondContact OD1-N 3.17Å; G739-W742 PolarHBondContact O-N 3.04Å; G739-L743 WeakPolarHBondContact O-CG 3.1Å; G739-L743 PolarHBondContact O-N 2.87Å |
| 740 | S | 92.7 | Very high | 81 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 174.5 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | S738 K744 | S738-S740 PolarHBondContact O-N 3.38Å; S740-K744 WeakPolarHBondContact O-CB 3.46Å; S740-K744 PolarHBondContact O-N 3.32Å |
| 741 | Q | 91.6 | Very high | 82.8 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 38% | 0.379 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 176.2 | -178 | 176 | -9.4 | 0 | 0 | 111.7 | T539 I737 S738 K744 T745 | T539-Q741 HydrophobicContact CG2-CG 4.36Å; I737-Q741 HydrophobicContact CB-CB 4.42Å; I737-Q741 HydrophobicContact CB-CG 4.29Å; S738-Q741 PolarHBondContact O-N 2.95Å; S738-Q741 VanDerWaalsContact O-N 3.14Å; S738-Q741 VanDerWaalsContact OG-CB 3.3Å; S738-Q741 WeakPolarHBondContact OG-CB 3.43Å; S738-Q741 PolarHBondContact OG-N 3.46Å; S738-Q741 VanDerWaalsContact OG-N 3.12Å; Q741-K744 PolarHBondContact O-N 2.92Å; Q741-T745 WeakPolarHBondContact O-CB 3.48Å; Q741-T745 PolarHBondContact O-N 3.36Å; Q741-T745 PolarHBondContact O-OG1 2.8Å |
| 742 | W | 92.8 | Very high | 84.8 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -51.3 | 173.2 | 176.6 | 80.9 | 0 | 0 | 0 | 111.4 | I714 K717 I737 S738 G739 K744 T745 Q746 | I714-W742 HydrophobicContact CG2-CZ3 4.21Å; K717-W742 HydrophobicContact CB-CH2 4.26Å; K717-W742 HydrophobicContact CB-CZ3 4.34Å; K717-W742 HydrophobicContact CG-CD2 4.16Å; K717-W742 HydrophobicContact CG-CE3 4.11Å; K717-W742 HydrophobicContact CG-CH2 3.69Å; K717-W742 HydrophobicContact CG-CZ2 3.74Å; K717-W742 HydrophobicContact CG-CZ3 3.87Å; I737-W742 HydrophobicContact CD1-CB 3.75Å; I737-W742 HydrophobicContact CD1-CG 4.28Å; I737-W742 HydrophobicContact CG1-CB 4.3Å; S738-W742 PolarHBondContact O-N 3.03Å; G739-W742 PolarHBondContact O-N 3.04Å; W742-K744 VanDerWaalsContact C-N 3.29Å; W742-K744 PolarHBondContact O-N 3.49Å; W742-T745 WeakPolarHBondContact O-CB 3.13Å; W742-T745 PolarHBondContact O-N 3Å; W742-Q746 HydrophobicContact CD2-CG 4.15Å; W742-Q746 HydrophobicContact CH2-CG 4.39Å; W742-Q746 HydrophobicContact CZ2-CG 3.87Å; W742-Q746 WeakPolarHBondContact O-CG 3.49Å; W742-Q746 PolarHBondContact O-N 3.36Å |
| 743 | L | 93.4 | Very high | 86.9 | Confident | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.8 | -44.9 | 176.3 | -77.7 | 174.4 | 0 | 0 | 0 | 112.4 | Y706 P707 V709 I714 R718 G739 Q746 A747 | Y706-L743 HydrophobicContact CD1-CB 4.4Å; P707-L743 HydrophobicContact CB-CD2 3.91Å; P707-L743 HydrophobicContact CG-CD2 3.88Å; V709-L743 HydrophobicContact CG1-CD1 3.95Å; I714-L743 HydrophobicContact CG2-CD2 3.65Å; R718-L743 HydrophobicContact CG-CD1 4.37Å; G739-L743 WeakPolarHBondContact O-CG 3.1Å; G739-L743 PolarHBondContact O-N 2.87Å; L743-Q746 PolarHBondContact O-N 3.33Å; L743-A747 PolarHBondContact O-N 3.29Å |
| 744 | K | 92.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 26.1 Ų | 26.1 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 176.2 | -175 | 177.3 | 176.3 | -176.1 | 0 | 111.4 | Y706 S740 Q741 W742 Q746 A747 F748 N779 | Y706-K744 HydrophobicContact CE1-CB 4.14Å; S740-K744 WeakPolarHBondContact O-CB 3.46Å; S740-K744 PolarHBondContact O-N 3.32Å; Q741-K744 PolarHBondContact O-N 2.92Å; W742-K744 VanDerWaalsContact C-N 3.29Å; W742-K744 PolarHBondContact O-N 3.49Å; K744-Q746 VanDerWaalsContact C-N 3.33Å; K744-Q746 PolarHBondContact O-N 3.41Å; K744-A747 WeakPolarHBondContact O-CB 3.42Å; K744-A747 PolarHBondContact O-N 3Å; K744-F748 HydrophobicContact CD-CE2 4.46Å; K744-F748 HydrophobicContact CG-CD2 3.74Å; K744-F748 HydrophobicContact CG-CE2 3.86Å; K744-F748 WeakPolarHBondContact O-CD2 3.41Å; K744-F748 PolarHBondContact O-N 3.28Å; K744-N779 PolarHBondContact NZ-O 2.81Å |
| 745 | T | 91.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | Q741 W742 A747 F748 R749 | Q741-T745 WeakPolarHBondContact O-CB 3.48Å; Q741-T745 PolarHBondContact O-N 3.36Å; Q741-T745 PolarHBondContact O-OG1 2.8Å; W742-T745 WeakPolarHBondContact O-CB 3.13Å; W742-T745 PolarHBondContact O-N 3Å; T745-A747 VanDerWaalsContact C-N 3.32Å; T745-A747 PolarHBondContact O-N 3.19Å; T745-F748 PolarHBondContact O-N 3.37Å; T745-R749 WeakPolarHBondContact O-CG 3.43Å; T745-R749 PolarHBondContact O-N 2.83Å |
| 746 | Q | 92.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.033 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.9 | -66 | -54.2 | -33.4 | 0 | 0 | 112.5 | E311 R682 P707 W742 L743 K744 S750 | E311-Q746 PolarHBondContact OE2-NE2 2.76Å; R682-Q746 PolarHBondContact NH2-O 3.31Å; P707-Q746 HydrophobicContact CG-CB 3.67Å; P707-Q746 HydrophobicContact CG-CG 4.43Å; W742-Q746 HydrophobicContact CD2-CG 4.15Å; W742-Q746 HydrophobicContact CH2-CG 4.39Å; W742-Q746 HydrophobicContact CZ2-CG 3.87Å; W742-Q746 WeakPolarHBondContact O-CG 3.49Å; W742-Q746 PolarHBondContact O-N 3.36Å; L743-Q746 PolarHBondContact O-N 3.33Å; K744-Q746 VanDerWaalsContact C-N 3.33Å; K744-Q746 PolarHBondContact O-N 3.41Å; Q746-S750 PolarHBondContact O-N 2.93Å; Q746-S750 PolarHBondContact O-OG 3.5Å |
| 747 | A | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I704 P705 Y706 L743 K744 T745 S750 L751 | I704-A747 HydrophobicContact CG2-CB 3.85Å; P705-A747 WeakPolarHBondContact CG-O 3.09Å; P705-A747 WeakPolarHBondContact O-CA 3.16Å; P705-A747 WeakPolarHBondContact O-CB 3.31Å; Y706-A747 HydrophobicContact CD1-CB 3.87Å; Y706-A747 HydrophobicContact CE1-CB 4.15Å; Y706-A747 HydrophobicContact CG-CB 4.08Å; L743-A747 PolarHBondContact O-N 3.29Å; K744-A747 WeakPolarHBondContact O-CB 3.42Å; K744-A747 PolarHBondContact O-N 3Å; T745-A747 VanDerWaalsContact C-N 3.32Å; T745-A747 PolarHBondContact O-N 3.19Å; A747-S750 PolarHBondContact O-N 3.39Å; A747-L751 PolarHBondContact O-N 3.26Å |
| 748 | F | 92.7 | Very high | 92 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71 | -32.4 | -178 | -88.5 | -82.5 | 0 | 0 | 0 | 113.4 | I704 K744 T745 S750 L751 N752 F775 F780 G783 L784 | I704-F748 HydrophobicContact CG2-CE2 4.44Å; K744-F748 HydrophobicContact CD-CE2 4.46Å; K744-F748 HydrophobicContact CG-CD2 3.74Å; K744-F748 HydrophobicContact CG-CE2 3.86Å; K744-F748 WeakPolarHBondContact O-CD2 3.41Å; K744-F748 PolarHBondContact O-N 3.28Å; T745-F748 PolarHBondContact O-N 3.37Å; F748-S750 VanDerWaalsContact C-N 3.3Å; F748-S750 PolarHBondContact O-N 3.32Å; F748-L751 HydrophobicContact CD1-CD2 3.84Å; F748-L751 HydrophobicContact CE1-CD2 3.81Å; F748-L751 PolarHBondContact O-N 3.16Å; F748-N752 WeakPolarHBondContact O-CB 3.28Å; F748-N752 VanDerWaalsContact O-CG 3.29Å; F748-N752 PolarHBondContact O-N 3.46Å; F748-N752 PolarHBondContact O-ND2 2.75Å; F748-F775 HydrophobicContact CE1-CE1 4.23Å; F748-F775 HydrophobicContact CZ-CE1 4.4Å; F748-F780 VanDerWaalsContact CE1-O 3.25Å; F748-F780 WeakPolarHBondContact CE1-O 3.49Å; F748-F780 AromaticContact CE2-CD1 3.82Å; F748-F780 HydrophobicContact CE2-CD1 3.82Å; F748-F780 HydrophobicContact CZ-CB 3.88Å; F748-F780 AromaticContact CZ-CD1 3.7Å; F748-F780 HydrophobicContact CZ-CD1 3.7Å; F748-F780 HydrophobicContact CZ-CG 4.27Å; F748-F780 WeakPolarHBondContact CZ-O 3.24Å; F748-G783 WeakPolarHBondContact CB-O 3.33Å; F748-G783 VanDerWaalsContact CD1-CA 3.48Å; F748-G783 VanDerWaalsContact CD1-O 3.3Å; F748-G783 WeakPolarHBondContact CD1-O 3.29Å; F748-L784 HydrophobicContact CD1-CD2 4.15Å; F748-L784 HydrophobicContact CE1-CD2 4.01Å; F748-L784 HydrophobicContact CE1-CG 4.17Å |
| 749 | R | 91 | Very high | 91.9 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 171.2 | -73.1 | -173.5 | -173.7 | 151.8 | 11.9 | 111.6 | E311 T533 Y540 T745 Q753 | E311-R749 IonicContact OE1-CZ 3.3Å; E311-R749 VanDerWaalsContact OE1-CZ 3.3Å; E311-R749 IonicContact OE1-NH1 3.2Å; E311-R749 PolarHBondContact OE1-NH1 2.64Å; E311-R749 IonicContact OE1-NH2 3.91Å; E311-R749 PolarHBondContact OE1-NH2 3.36Å; E311-R749 IonicContact OE2-CZ 2.97Å; E311-R749 IonicContact OE2-NH1 2.76Å; E311-R749 PolarHBondContact OE2-NH1 2.9Å; E311-R749 IonicContact OE2-NH2 3.08Å; T533-R749 WeakPolarHBondContact O-CG 3.39Å; Y540-R749 VanDerWaalsContact CD2-NH2 3.32Å; T745-R749 WeakPolarHBondContact O-CG 3.43Å; T745-R749 PolarHBondContact O-N 2.83Å; R749-Q753 WeakPolarHBondContact O-CB 3.38Å; R749-Q753 PolarHBondContact O-N 3.31Å |
| 750 | S | 91.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | R682 Q746 A747 F748 Q753 A754 | R682-S750 WeakPolarHBondContact CG-OG 3.47Å; R682-S750 VanDerWaalsContact CZ-OG 3.28Å; R682-S750 PolarHBondContact NE-OG 3.37Å; R682-S750 PolarHBondContact NH2-OG 3.19Å; R682-S750 VanDerWaalsContact NH2-OG 3.08Å; Q746-S750 PolarHBondContact O-N 2.93Å; Q746-S750 PolarHBondContact O-OG 3.5Å; A747-S750 PolarHBondContact O-N 3.39Å; F748-S750 VanDerWaalsContact C-N 3.3Å; F748-S750 PolarHBondContact O-N 3.32Å; S750-Q753 PolarHBondContact O-N 3.03Å; S750-A754 PolarHBondContact O-N 3.48Å; S750-A754 VanDerWaalsContact O-N 3.1Å |
| 751 | L | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.5 | -51.4 | 172.2 | 179.8 | 66.3 | 0 | 0 | 0 | 110.9 | Y681 T701 P705 A747 F748 Q753 A754 L755 F775 L784 | Y681-L751 HydrophobicContact CE1-CD1 3.89Å; T701-L751 HydrophobicContact CG2-CD1 3.79Å; P705-L751 HydrophobicContact CG-CB 4.44Å; A747-L751 PolarHBondContact O-N 3.26Å; F748-L751 HydrophobicContact CD1-CD2 3.84Å; F748-L751 HydrophobicContact CE1-CD2 3.81Å; F748-L751 PolarHBondContact O-N 3.16Å; L751-Q753 VanDerWaalsContact C-N 3.28Å; L751-Q753 PolarHBondContact O-N 3.36Å; L751-A754 WeakPolarHBondContact O-CB 3.26Å; L751-A754 PolarHBondContact O-N 2.91Å; L751-A754 VanDerWaalsContact O-N 3.15Å; L751-L755 HydrophobicContact CD1-CD1 4.3Å; L751-L755 HydrophobicContact CD1-CG 4.44Å; L751-L755 HydrophobicContact CG-CD1 3.95Å; L751-L755 HydrophobicContact CG-CG 4.47Å; L751-L755 WeakPolarHBondContact O-CG 3.36Å; L751-L755 PolarHBondContact O-N 3.37Å; L751-F775 HydrophobicContact CD2-CE1 3.9Å; L751-F775 HydrophobicContact CD2-CZ 3.66Å; L751-L784 HydrophobicContact CD2-CD2 3.8Å |
| 752 | N | 92.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.027 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 178.7 | -73.6 | -50.8 | 0 | 0 | 0 | 112 | T533 F748 A754 L755 G756 G783 S785 | T533-N752 HydrophobicContact CG2-CB 3.61Å; F748-N752 WeakPolarHBondContact O-CB 3.28Å; F748-N752 VanDerWaalsContact O-CG 3.29Å; F748-N752 PolarHBondContact O-N 3.46Å; F748-N752 PolarHBondContact O-ND2 2.75Å; N752-A754 VanDerWaalsContact C-N 3.33Å; N752-A754 PolarHBondContact O-N 3.35Å; N752-L755 PolarHBondContact O-N 2.84Å; N752-G756 PolarHBondContact O-N 3.38Å; N752-G783 PolarHBondContact ND2-O 2.93Å; N752-S785 WeakPolarHBondContact CB-OG 3.25Å; N752-S785 PolarHBondContact OD1-N 3.43Å; N752-S785 PolarHBondContact OD1-OG 3.34Å |
| 753 | Q | 90.7 | Very high | 91 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 176.6 | -174 | 179 | 23.8 | 0 | 0 | 112.5 | H308 T533 R749 S750 L751 R757 | H308-Q753 PolarHBondContact NE2-NE2 2.97Å; T533-Q753 HydrophobicContact CG2-CB 4.35Å; R749-Q753 WeakPolarHBondContact O-CB 3.38Å; R749-Q753 PolarHBondContact O-N 3.31Å; S750-Q753 PolarHBondContact O-N 3.03Å; L751-Q753 VanDerWaalsContact C-N 3.28Å; L751-Q753 PolarHBondContact O-N 3.36Å; Q753-R757 PolarHBondContact O-NE 3.17Å |
| 754 | A | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F611 Y681 T701 S750 L751 N752 G756 R757 | F611-A754 HydrophobicContact CB-CB 4.31Å; F611-A754 HydrophobicContact CD1-CB 4.29Å; F611-A754 HydrophobicContact CD2-CB 3.67Å; F611-A754 HydrophobicContact CE2-CB 3.98Å; F611-A754 HydrophobicContact CG-CB 3.82Å; F611-A754 HydrophobicContact CZ-CB 4.43Å; Y681-A754 HydrophobicContact CD1-CB 3.87Å; Y681-A754 HydrophobicContact CE1-CB 4.07Å; T701-A754 HydrophobicContact CG2-CB 4.4Å; S750-A754 PolarHBondContact O-N 3.48Å; S750-A754 VanDerWaalsContact O-N 3.1Å; L751-A754 WeakPolarHBondContact O-CB 3.26Å; L751-A754 PolarHBondContact O-N 2.91Å; L751-A754 VanDerWaalsContact O-N 3.15Å; N752-A754 VanDerWaalsContact C-N 3.33Å; N752-A754 PolarHBondContact O-N 3.35Å; A754-G756 VanDerWaalsContact C-N 3.28Å; A754-G756 PolarHBondContact O-N 2.9Å; A754-R757 VanDerWaalsContact O-CB 3.3Å; A754-R757 WeakPolarHBondContact O-CB 3.39Å; A754-R757 WeakPolarHBondContact O-CG 3.42Å; A754-R757 PolarHBondContact O-N 3.44Å; A754-R757 VanDerWaalsContact O-N 3.16Å |
| 755 | L | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 178.6 | -68.5 | 172.5 | 0 | 0 | 0 | 112.6 | V699 T701 L751 N752 R757 L768 M770 L784 I788 | V699-L755 HydrophobicContact CG1-CD2 4.35Å; T701-L755 HydrophobicContact CG2-CD2 3.52Å; T701-L755 HydrophobicContact CG2-CG 4.01Å; L751-L755 HydrophobicContact CD1-CD1 4.3Å; L751-L755 HydrophobicContact CD1-CG 4.44Å; L751-L755 HydrophobicContact CG-CD1 3.95Å; L751-L755 HydrophobicContact CG-CG 4.47Å; L751-L755 WeakPolarHBondContact O-CG 3.36Å; L751-L755 PolarHBondContact O-N 3.37Å; N752-L755 PolarHBondContact O-N 2.84Å; L755-R757 PolarHBondContact O-N 3.21Å; L755-R757 VanDerWaalsContact O-N 3.11Å; L755-L768 HydrophobicContact CB-CD1 4.39Å; L755-L768 HydrophobicContact CD2-CB 4.15Å; L755-L768 HydrophobicContact CD2-CD2 4.5Å; L755-L768 WeakPolarHBondContact O-CD2 3.16Å; L755-M770 HydrophobicContact CD1-SD 4.03Å; L755-M770 HydrophobicContact CD2-CG 4.28Å; L755-L784 HydrophobicContact CD1-CD2 4.09Å; L755-I788 HydrophobicContact CB-CD1 3.86Å; L755-I788 HydrophobicContact CD1-CD1 3.78Å; L755-I788 HydrophobicContact CG-CD1 4.47Å |
| 756 | G | 89.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 3.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T42 N752 A754 | T42-G756 PolarHBondContact OG1-O 2.76Å; N752-G756 PolarHBondContact O-N 3.38Å; A754-G756 VanDerWaalsContact C-N 3.28Å; A754-G756 PolarHBondContact O-N 2.9Å |
| 757 | R | 89.6 | Confident | 91.5 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 7% | 0.072 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -22.9 | -171.1 | -66.3 | -68.6 | 126 | -172.2 | -0.2 | 115.2 | L609 F611 A686 I689 V699 Q753 A754 L755 R760 | L609-R757 HydrophobicContact CD1-CB 3.94Å; F611-R757 HydrophobicContact CE2-CG 4.26Å; F611-R757 HydrophobicContact CZ-CG 4.02Å; A686-R757 PolarHBondContact O-NE 3.27Å; I689-R757 PolarHBondContact O-NH1 3.36Å; V699-R757 HydrophobicContact CG2-CB 4.16Å; Q753-R757 PolarHBondContact O-NE 3.17Å; A754-R757 VanDerWaalsContact O-CB 3.3Å; A754-R757 WeakPolarHBondContact O-CB 3.39Å; A754-R757 WeakPolarHBondContact O-CG 3.42Å; A754-R757 PolarHBondContact O-N 3.44Å; A754-R757 VanDerWaalsContact O-N 3.16Å; L755-R757 PolarHBondContact O-N 3.21Å; L755-R757 VanDerWaalsContact O-N 3.11Å; R757-R760 VanDerWaalsContact O-CZ 3.25Å; R757-R760 PolarHBondContact O-NE 2.88Å; R757-R760 PolarHBondContact O-NH2 2.74Å |
| 758 | C | 88.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -101.1 | -4 | -175.1 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | A696 V699 L768 | A696-C758 HydrophobicContact CB-CB 3.63Å; A696-C758 WeakPolarHBondContact O-CB 3.3Å; V699-C758 HydrophobicContact CG2-CB 3.78Å; C758-L768 WeakPolarHBondContact SG-CD2 3.49Å |
| 759 | L | 90 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -116.4 | 102.5 | -176 | -56.6 | 177.3 | 0 | 0 | 0 | 109.8 | L558 V563 W787 | L558-L759 HydrophobicContact CD1-CB 3.95Å; L558-L759 HydrophobicContact CD1-CD1 4.02Å; L558-L759 HydrophobicContact CD1-CD2 3.74Å; L558-L759 HydrophobicContact CD1-CG 4.1Å; V563-L759 HydrophobicContact CG1-CD1 3.97Å; V563-L759 HydrophobicContact CG2-CD1 3.9Å; V563-L759 HydrophobicContact CG2-CD2 4.47Å; L759-W787 HydrophobicContact CD1-CH2 3.82Å; L759-W787 HydrophobicContact CD1-CZ3 3.61Å | ||
| 760 | R | 87.6 | Confident | 92.2 | Very high | 38 Ų | 38 | 21.1 Ų | 21.1 | 14% | 0.143 | 9% | 0.091 | C | C | . | . | trans | -114.3 | -19.7 | -168.8 | -57.6 | -54.5 | -178.8 | 135.3 | 0.3 | 115.7 | G43 I689 D690 F691 A692 R757 D764 | G43-R760 WeakPolarHBondContact CA-O 3.22Å; I689-R760 PolarHBondContact O-NH2 2.79Å; D690-R760 WeakPolarHBondContact OD1-CD 3.45Å; D690-R760 WeakPolarHBondContact OD1-CG 3.42Å; D690-R760 IonicContact OD1-CZ 3.16Å; D690-R760 IonicContact OD1-NE 3.39Å; D690-R760 PolarHBondContact OD1-NE 2.8Å; D690-R760 IonicContact OD1-NH1 3.4Å; D690-R760 PolarHBondContact OD1-NH1 3.19Å; D690-R760 IonicContact OD1-NH2 3.59Å; F691-R760 VanDerWaalsContact O-CG 3.31Å; F691-R760 WeakPolarHBondContact O-CG 3.33Å; A692-R760 HydrophobicContact CB-CB 4.06Å; A692-R760 HydrophobicContact CB-CG 4.06Å; R757-R760 VanDerWaalsContact O-CZ 3.25Å; R757-R760 PolarHBondContact O-NE 2.88Å; R757-R760 PolarHBondContact O-NH2 2.74Å; R760-D764 PolarHBondContact N-OD2 2.85Å | ||
| 761 | H | 88 | Confident | 92.5 | Very high | 62 Ų | 62 | 20.9 Ų | 20.9 | 29% | 0.287 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -153 | 170.4 | 175.9 | 52.9 | 60.8 | 0 | 0 | 0 | 113.6 | L558 D693 Q763 D764 | L558-H761 WeakPolarHBondContact CD2-O 3.44Å; D693-H761 IonicContact OD1-CE1 2.71Å; D693-H761 PolarHBondContact OD1-CE1 2.93Å; D693-H761 IonicContact OD1-NE2 3.93Å; D693-H761 PolarHBondContact OD1-NE2 2.8Å; D693-H761 VanDerWaalsContact OD1-NE2 3.1Å; D693-H761 IonicContact OD2-NE2 3.52Å; D693-H761 PolarHBondContact OD2-NE2 3.49Å; H761-Q763 PolarHBondContact ND1-N 3.23Å; H761-Q763 PolarHBondContact O-N 3.09Å; H761-Q763 VanDerWaalsContact O-N 3.1Å; H761-D764 PolarHBondContact ND1-N 3.26Å; H761-D764 WeakPolarHBondContact O-CB 3.43Å; H761-D764 PolarHBondContact O-N 3.34Å |
| 762 | R | 86.8 | Confident | 92.6 | Very high | 142 Ų | 142 | 20.9 Ų | 20.9 | 54% | 0.536 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20 | -176.3 | 70.6 | 172.9 | -178.9 | -177.1 | 0.4 | 115.8 | Y16 V557 L558 | Y16-R762 HydrophobicContact CE1-CB 4.35Å; Y16-R762 WeakPolarHBondContact OH-CD 3.44Å; V557-R762 HydrophobicContact CG2-CB 4.35Å; L558-R762 WeakPolarHBondContact CD2-O 3.49Å |
| 763 | Q | 88.9 | Confident | 92.7 | Very high | 130 Ų | 130 | 21.7 Ų | 21.7 | 61% | 0.607 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7 | 177.4 | -71.5 | 179.2 | -8.6 | 0 | 0 | 112.6 | R562 H761 | R562-Q763 PolarHBondContact NH1-O 2.84Å; H761-Q763 PolarHBondContact ND1-N 3.23Å; H761-Q763 PolarHBondContact O-N 3.09Å; H761-Q763 VanDerWaalsContact O-N 3.1Å |
| 764 | D | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -79.8 | 173.3 | -179.5 | -148.6 | -11.5 | 0 | 0 | 0 | 110.7 | L558 R562 R697 R760 H761 | L558-D764 WeakPolarHBondContact CD2-O 3.17Å; R562-D764 PolarHBondContact NH1-O 3.04Å; R697-D764 IonicContact CZ-OD1 3.78Å; R697-D764 IonicContact NH1-OD1 2.76Å; R697-D764 PolarHBondContact NH1-OD1 3Å; R697-D764 IonicContact NH2-OD1 3.42Å; R760-D764 PolarHBondContact N-OD2 2.85Å; H761-D764 PolarHBondContact ND1-N 3.26Å; H761-D764 WeakPolarHBondContact O-CB 3.43Å; H761-D764 PolarHBondContact O-N 3.34Å | ||
| 765 | W | 94.7 | Very high | 92.9 | Very high | 20 Ų | 20 | 23 Ų | 23 | 8% | 0.076 | 10% | 0.101 | C | C | . | . | trans | -153.4 | 151.8 | 167.5 | 69.4 | -97.1 | 0 | 0 | 0 | 110.9 | R562 P605 R697 F808 V809 L812 E813 | R562-W765 HydrophobicContact CB-CB 4.03Å; R562-W765 WeakPolarHBondContact O-CA 3.34Å; R562-W765 VanDerWaalsContact O-CB 3.29Å; R562-W765 WeakPolarHBondContact O-CB 3.41Å; P605-W765 HydrophobicContact CG-CH2 3.92Å; P605-W765 HydrophobicContact CG-CZ2 4.22Å; R697-W765 HydrophobicContact CB-CH2 4.14Å; R697-W765 HydrophobicContact CB-CZ3 4.26Å; R697-W765 VanDerWaalsContact CD-CZ2 3.45Å; R697-W765 HydrophobicContact CG-CH2 4.25Å; R697-W765 HydrophobicContact CG-CZ2 4.33Å; R697-W765 PolarHBondContact NH1-O 3.13Å; W765-F808 AromaticContact CE3-CE1 3.72Å; W765-F808 HydrophobicContact CE3-CE1 3.72Å; W765-F808 HydrophobicContact CE3-CZ 4.04Å; W765-F808 AromaticContact CZ3-CE1 3.87Å; W765-F808 HydrophobicContact CZ3-CE1 3.87Å; W765-V809 HydrophobicContact CH2-CG1 4.46Å; W765-V809 HydrophobicContact CH2-CG2 4.47Å; W765-V809 HydrophobicContact CZ3-CG2 4.4Å; W765-L812 HydrophobicContact CB-CD1 3.77Å; W765-L812 HydrophobicContact CB-CD2 4.44Å; W765-L812 HydrophobicContact CD2-CB 4.1Å; W765-L812 HydrophobicContact CD2-CD1 3.64Å; W765-L812 HydrophobicContact CD2-CG 4.45Å; W765-L812 HydrophobicContact CE3-CD1 3.62Å; W765-L812 HydrophobicContact CG-CB 4.35Å; W765-L812 HydrophobicContact CG-CD1 3.74Å; W765-L812 HydrophobicContact CG-CD2 4.5Å; W765-L812 HydrophobicContact CG-CG 4.44Å; W765-L812 HydrophobicContact CZ2-CB 4.34Å; W765-L812 HydrophobicContact CZ3-CD1 4.37Å; W765-E813 HydrophobicContact CZ2-CG 4.46Å; W765-E813 WeakPolarHBondContact CZ2-OE1 3.41Å | ||
| 766 | G | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 156.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R562 Y564 R697 | R562-G766 PolarHBondContact O-N 2.83Å; R562-G766 VanDerWaalsContact O-N 3.12Å; Y564-G766 PolarHBondContact N-O 2.91Å; R697-G766 WeakPolarHBondContact O-CA 3.24Å |
| 767 | A | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y564 I604 R697 A698 V699 I769 L805 F808 | Y564-A767 HydrophobicContact CD1-CB 3.88Å; Y564-A767 HydrophobicContact CG-CB 4.36Å; I604-A767 HydrophobicContact CD1-CB 4.09Å; R697-A767 PolarHBondContact O-N 3.3Å; A698-A767 CarbonylContact C-O 3.59Å; A698-A767 WeakPolarHBondContact CA-O 3.36Å; A698-A767 HydrophobicContact CB-CB 4.12Å; V699-A767 PolarHBondContact N-O 3.45Å; A767-I769 HydrophobicContact CB-CD1 4.42Å; A767-I769 HydrophobicContact CB-CG1 4.42Å; A767-L805 HydrophobicContact CB-CD1 3.78Å; A767-F808 HydrophobicContact CB-CE1 4.24Å |
| 768 | L | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.2 | 175.5 | -55.9 | -172.1 | 0 | 0 | 0 | 108.1 | Y564 V565 G566 V699 L755 C758 W787 I788 | Y564-L768 WeakPolarHBondContact O-CB 3.25Å; Y564-L768 PolarHBondContact O-N 3.47Å; V565-L768 CarbonylContact C-O 3.52Å; V565-L768 WeakPolarHBondContact CA-O 3.46Å; V565-L768 HydrophobicContact CG1-CB 4.39Å; V565-L768 HydrophobicContact CG2-CB 4.26Å; V565-L768 HydrophobicContact CG2-CD1 4.06Å; V565-L768 HydrophobicContact CG2-CG 4.41Å; G566-L768 PolarHBondContact N-O 3.43Å; V699-L768 HydrophobicContact CB-CD2 4.2Å; L755-L768 HydrophobicContact CB-CD1 4.39Å; L755-L768 HydrophobicContact CD2-CB 4.15Å; L755-L768 HydrophobicContact CD2-CD2 4.5Å; L755-L768 WeakPolarHBondContact O-CD2 3.16Å; C758-L768 WeakPolarHBondContact SG-CD2 3.49Å; L768-W787 HydrophobicContact CD1-CH2 3.66Å; L768-W787 HydrophobicContact CD1-CZ3 3.76Å; L768-I788 HydrophobicContact CD1-CD1 4.34Å; L768-I788 HydrophobicContact CD1-CG1 4.29Å |
| 769 | I | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.9 | -172.3 | -56.3 | 169.4 | 0 | 0 | 0 | 109.4 | Y564 G566 I600 V699 V700 T701 A767 L771 M801 L805 | Y564-I769 HydrophobicContact CE1-CG1 4.27Å; G566-I769 CarbonylContact O-C 3.59Å; G566-I769 WeakPolarHBondContact O-CA 3.31Å; I600-I769 HydrophobicContact CD1-CD1 4.29Å; I600-I769 HydrophobicContact CD1-CG2 3.99Å; I600-I769 HydrophobicContact CG1-CD1 4.35Å; I600-I769 HydrophobicContact CG2-CD1 3.67Å; V699-I769 PolarHBondContact O-N 2.99Å; V700-I769 CarbonylContact C-O 3.43Å; V700-I769 VanDerWaalsContact CA-O 3.28Å; V700-I769 WeakPolarHBondContact CA-O 3.48Å; V700-I769 HydrophobicContact CG2-CB 4.33Å; V700-I769 HydrophobicContact CG2-CD1 4.46Å; T701-I769 PolarHBondContact N-O 3.39Å; T701-I769 PolarHBondContact OG1-O 3.37Å; A767-I769 HydrophobicContact CB-CD1 4.42Å; A767-I769 HydrophobicContact CB-CG1 4.42Å; I769-L771 HydrophobicContact CG2-CD2 3.86Å; I769-L771 HydrophobicContact CG2-CG 4.4Å; I769-M801 HydrophobicContact CG2-CE 4.33Å; I769-M801 HydrophobicContact CG2-SD 4.03Å; I769-L805 HydrophobicContact CD1-CD1 4.24Å; I769-L805 HydrophobicContact CD1-CD2 3.72Å |
| 770 | M | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.8 | -179.9 | -75.7 | 161.3 | -74.3 | 0 | 0 | 111 | V565 G566 A567 V568 T701 L755 F775 L784 F792 | V565-M770 HydrophobicContact CG1-CE 3.62Å; G566-M770 PolarHBondContact O-N 2.89Å; A567-M770 VanDerWaalsContact CA-O 3.26Å; A567-M770 WeakPolarHBondContact CA-O 3.32Å; A567-M770 HydrophobicContact CB-CB 3.94Å; A567-M770 HydrophobicContact CB-CE 4.44Å; V568-M770 PolarHBondContact N-O 3.48Å; T701-M770 WeakPolarHBondContact OG1-CA 3.41Å; T701-M770 WeakPolarHBondContact OG1-CG 3.36Å; L755-M770 HydrophobicContact CD1-SD 4.03Å; L755-M770 HydrophobicContact CD2-CG 4.28Å; M770-F775 HydrophobicContact CB-CD2 3.9Å; M770-F775 HydrophobicContact CB-CE2 3.77Å; M770-F775 HydrophobicContact CB-CG 4.48Å; M770-F775 HydrophobicContact CB-CZ 4.23Å; M770-F775 HydrophobicContact CG-CE2 4.2Å; M770-F775 HydrophobicContact CG-CZ 4.17Å; M770-F775 HydrophobicContact SD-CD1 4.46Å; M770-F775 HydrophobicContact SD-CE1 4.08Å; M770-F775 HydrophobicContact SD-CZ 4.17Å; M770-L784 HydrophobicContact CE-CD1 4.46Å; M770-L784 HydrophobicContact SD-CD1 4.13Å; M770-L784 HydrophobicContact SD-CD2 3.99Å; M770-F792 HydrophobicContact CE-CD2 3.55Å; M770-F792 HydrophobicContact CE-CE2 3.55Å; M770-F792 HydrophobicContact SD-CD2 4.42Å; M770-F792 HydrophobicContact SD-CE2 4.05Å |
| 771 | L | 97.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 88.2 | -179.7 | -55.9 | -177.2 | 0 | 0 | 0 | 109.8 | V568 L577 L593 T596 L597 I600 V700 T701 V702 G703 I769 | V568-L771 HydrophobicContact CG1-CD2 3.61Å; L577-L771 HydrophobicContact CD1-CB 4.46Å; L577-L771 HydrophobicContact CD1-CD2 4.49Å; L593-L771 HydrophobicContact CD1-CD1 3.8Å; T596-L771 HydrophobicContact CG2-CD1 3.58Å; T596-L771 HydrophobicContact CG2-CD2 3.84Å; T596-L771 HydrophobicContact CG2-CG 4.37Å; L597-L771 HydrophobicContact CD2-CD1 4.44Å; I600-L771 HydrophobicContact CD1-CD1 4.34Å; I600-L771 HydrophobicContact CD1-CD2 4.35Å; V700-L771 HydrophobicContact CG1-CD1 3.46Å; V700-L771 VanDerWaalsContact CG1-CD1 3.46Å; V700-L771 HydrophobicContact CG1-CG 3.81Å; T701-L771 PolarHBondContact O-N 2.85Å; V702-L771 HydrophobicContact CG2-CD1 4.3Å; G703-L771 PolarHBondContact N-O 2.96Å; I769-L771 HydrophobicContact CG2-CD2 3.86Å; I769-L771 HydrophobicContact CG2-CG 4.4Å |
| 772 | D | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -165.5 | 131.8 | 166.8 | -161.4 | -80 | 0 | 0 | 0 | 111.8 | V568 L577 A579 G703 R774 F775 | V568-D772 PolarHBondContact O-N 2.81Å; L577-D772 CarbonylContact O-C 3.59Å; L577-D772 VanDerWaalsContact O-CA 3.28Å; L577-D772 WeakPolarHBondContact O-CA 3.29Å; A579-D772 PolarHBondContact N-OD2 3.04Å; G703-D772 WeakPolarHBondContact CA-OD2 3.3Å; D772-R774 PolarHBondContact O-N 2.97Å; D772-R774 VanDerWaalsContact O-N 3.09Å; D772-R774 WeakPolarHBondContact OD1-CB 3.49Å; D772-R774 VanDerWaalsContact OD1-CG 3.25Å; D772-R774 WeakPolarHBondContact OD1-CG 3.37Å; D772-R774 IonicContact OD1-CZ 3.65Å; D772-R774 PolarHBondContact OD1-N 3.19Å; D772-R774 IonicContact OD1-NE 2.82Å; D772-R774 PolarHBondContact OD1-NE 2.69Å; D772-R774 IonicContact OD1-NH2 3.67Å; D772-R774 IonicContact OD2-CZ 2.68Å; D772-R774 IonicContact OD2-NE 2.69Å; D772-R774 PolarHBondContact OD2-NE 3.09Å; D772-R774 IonicContact OD2-NH2 3.61Å; D772-R774 PolarHBondContact OD2-NH2 3.12Å; D772-F775 HydrophobicContact CB-CD2 3.63Å; D772-F775 HydrophobicContact CB-CE2 3.72Å; D772-F775 WeakPolarHBondContact O-CD2 3.37Å; D772-F775 PolarHBondContact O-N 2.73Å; D772-F775 VanDerWaalsContact O-N 3.1Å | ||
| 773 | A | 95.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -59.5 | -23.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | G569 V576 L577 K578 F775 C776 | G569-A773 VanDerWaalsContact CA-CA 3.46Å; V576-A773 HydrophobicContact CG1-CB 3.68Å; L577-A773 PolarHBondContact O-N 3.04Å; K578-A773 HydrophobicContact CB-CB 4.3Å; A773-F775 PolarHBondContact O-N 2.95Å; A773-C776 WeakPolarHBondContact O-CB 3.1Å; A773-C776 PolarHBondContact O-N 2.83Å; A773-C776 PolarHBondContact O-SG 2.64Å |
| 774 | R | 94.1 | Very high | 90.7 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -67.8 | -21.7 | 178.2 | -66.8 | 170.6 | -74 | -175 | -6 | 113.1 | A579 I704 D772 C776 H777 F780 | A579-R774 PolarHBondContact O-NH2 3.31Å; I704-R774 HydrophobicContact CD1-CB 4.13Å; D772-R774 PolarHBondContact O-N 2.97Å; D772-R774 VanDerWaalsContact O-N 3.09Å; D772-R774 WeakPolarHBondContact OD1-CB 3.49Å; D772-R774 VanDerWaalsContact OD1-CG 3.25Å; D772-R774 WeakPolarHBondContact OD1-CG 3.37Å; D772-R774 IonicContact OD1-CZ 3.65Å; D772-R774 PolarHBondContact OD1-N 3.19Å; D772-R774 IonicContact OD1-NE 2.82Å; D772-R774 PolarHBondContact OD1-NE 2.69Å; D772-R774 IonicContact OD1-NH2 3.67Å; D772-R774 IonicContact OD2-CZ 2.68Å; D772-R774 IonicContact OD2-NE 2.69Å; D772-R774 PolarHBondContact OD2-NE 3.09Å; D772-R774 IonicContact OD2-NH2 3.61Å; D772-R774 PolarHBondContact OD2-NH2 3.12Å; R774-C776 PolarHBondContact O-N 2.82Å; R774-H777 PolarHBondContact O-N 3Å; R774-H777 VanDerWaalsContact O-N 3.16Å; R774-F780 HydrophobicContact CB-CD2 4.4Å; R774-F780 HydrophobicContact CB-CE1 4.43Å; R774-F780 HydrophobicContact CB-CE2 4Å; R774-F780 HydrophobicContact CB-CZ 4.02Å; R774-F780 WeakPolarHBondContact O-CD2 3.28Å |
| 775 | F | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -67.4 | -11.7 | 177.7 | -73.1 | -67.5 | 0 | 0 | 0 | 113.5 | A567 I704 F748 L751 M770 D772 A773 H777 F780 F792 | A567-F775 HydrophobicContact CB-CB 3.92Å; A567-F775 HydrophobicContact CB-CG 4.39Å; I704-F775 HydrophobicContact CD1-CZ 4.33Å; I704-F775 HydrophobicContact CG1-CE1 4.49Å; I704-F775 HydrophobicContact CG1-CE2 4.15Å; I704-F775 HydrophobicContact CG1-CZ 3.86Å; F748-F775 HydrophobicContact CE1-CE1 4.23Å; F748-F775 HydrophobicContact CZ-CE1 4.4Å; L751-F775 HydrophobicContact CD2-CE1 3.9Å; L751-F775 HydrophobicContact CD2-CZ 3.66Å; M770-F775 HydrophobicContact CB-CD2 3.9Å; M770-F775 HydrophobicContact CB-CE2 3.77Å; M770-F775 HydrophobicContact CB-CG 4.48Å; M770-F775 HydrophobicContact CB-CZ 4.23Å; M770-F775 HydrophobicContact CG-CE2 4.2Å; M770-F775 HydrophobicContact CG-CZ 4.17Å; M770-F775 HydrophobicContact SD-CD1 4.46Å; M770-F775 HydrophobicContact SD-CE1 4.08Å; M770-F775 HydrophobicContact SD-CZ 4.17Å; D772-F775 HydrophobicContact CB-CD2 3.63Å; D772-F775 HydrophobicContact CB-CE2 3.72Å; D772-F775 WeakPolarHBondContact O-CD2 3.37Å; D772-F775 PolarHBondContact O-N 2.73Å; D772-F775 VanDerWaalsContact O-N 3.1Å; A773-F775 PolarHBondContact O-N 2.95Å; F775-H777 PolarHBondContact O-N 3.48Å; F775-F780 HydrophobicContact CD1-CB 4.29Å; F775-F792 HydrophobicContact CB-CZ 4.24Å |
| 776 | C | 87.1 | Confident | 90.3 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -65.2 | -23 | 171.3 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | A773 R774 H794 | A773-C776 WeakPolarHBondContact O-CB 3.1Å; A773-C776 PolarHBondContact O-N 2.83Å; A773-C776 PolarHBondContact O-SG 2.64Å; R774-C776 PolarHBondContact O-N 2.82Å; C776-H794 VanDerWaalsContact CA-CD2 3.45Å; C776-H794 WeakPolarHBondContact CA-CD2 3.4Å; C776-H794 WeakPolarHBondContact CA-NE2 3.39Å; C776-H794 WeakPolarHBondContact CB-NE2 3.37Å |
| 777 | H | 84.6 | Confident | 89.9 | Confident | 108 Ų | 108 | 36.7 Ų | 36.7 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -87.7 | 126.6 | -179 | -58 | -64 | 0 | 0 | 0 | 111.1 | R774 F775 N779 F780 | R774-H777 PolarHBondContact O-N 3Å; R774-H777 VanDerWaalsContact O-N 3.16Å; F775-H777 PolarHBondContact O-N 3.48Å; H777-N779 PolarHBondContact O-N 3.04Å; H777-F780 HydrophobicContact CB-CD2 3.89Å; H777-F780 HydrophobicContact CB-CE2 4.16Å; H777-F780 PolarHBondContact O-N 3.2Å |
| 778 | Y | 77.2 | Confident | 89.6 | Confident | 167 Ų | 167 | 36.7 Ų | 36.7 | 66% | 0.655 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -50.2 | -32.9 | 179.9 | -176.3 | -100.2 | 0 | 0 | 0 | 114 | F780 H781 | Y778-F780 PolarHBondContact O-N 3.18Å; Y778-F780 VanDerWaalsContact O-N 3.08Å; Y778-H781 VanDerWaalsContact O-CB 3.27Å; Y778-H781 WeakPolarHBondContact O-CB 3.38Å; Y778-H781 PolarHBondContact O-N 3.03Å |
| 779 | N | 80.1 | Confident | 89.3 | Confident | 109 Ų | 109 | 39.6 Ų | 39.6 | 58% | 0.583 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -57.7 | -26.4 | 179.1 | -70.8 | -16.3 | 0 | 0 | 0 | 113.8 | K744 H777 | K744-N779 PolarHBondContact NZ-O 2.81Å; H777-N779 PolarHBondContact O-N 3.04Å |
| 780 | F | 82.2 | Confident | 88.9 | Confident | 31 Ų | 31 | 43 Ų | 43 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -83 | -22.4 | 178.5 | -69 | -87.3 | 0 | 0 | 0 | 112.7 | I704 Y706 F748 R774 F775 H777 Y778 N782 G783 | I704-F780 HydrophobicContact CD1-CD1 3.46Å; I704-F780 VanDerWaalsContact CD1-CD1 3.46Å; I704-F780 HydrophobicContact CD1-CE1 3.47Å; I704-F780 VanDerWaalsContact CD1-CE1 3.47Å; I704-F780 HydrophobicContact CD1-CG 4.4Å; I704-F780 HydrophobicContact CD1-CZ 4.41Å; Y706-F780 WeakPolarHBondContact OH-CE1 3.38Å; F748-F780 VanDerWaalsContact CE1-O 3.25Å; F748-F780 WeakPolarHBondContact CE1-O 3.49Å; F748-F780 AromaticContact CE2-CD1 3.82Å; F748-F780 HydrophobicContact CE2-CD1 3.82Å; F748-F780 HydrophobicContact CZ-CB 3.88Å; F748-F780 AromaticContact CZ-CD1 3.7Å; F748-F780 HydrophobicContact CZ-CD1 3.7Å; F748-F780 HydrophobicContact CZ-CG 4.27Å; F748-F780 WeakPolarHBondContact CZ-O 3.24Å; R774-F780 HydrophobicContact CB-CD2 4.4Å; R774-F780 HydrophobicContact CB-CE1 4.43Å; R774-F780 HydrophobicContact CB-CE2 4Å; R774-F780 HydrophobicContact CB-CZ 4.02Å; R774-F780 WeakPolarHBondContact O-CD2 3.28Å; F775-F780 HydrophobicContact CD1-CB 4.29Å; H777-F780 HydrophobicContact CB-CD2 3.89Å; H777-F780 HydrophobicContact CB-CE2 4.16Å; H777-F780 PolarHBondContact O-N 3.2Å; Y778-F780 PolarHBondContact O-N 3.18Å; Y778-F780 VanDerWaalsContact O-N 3.08Å; F780-N782 VanDerWaalsContact C-N 3.31Å; F780-N782 PolarHBondContact O-N 2.69Å; F780-G783 PolarHBondContact O-N 2.91Å |
| 781 | H | 82.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 178.6 | -173.5 | -103.6 | 0 | 0 | 0 | 111.8 | Y778 G783 L784 R789 F792 | Y778-H781 VanDerWaalsContact O-CB 3.27Å; Y778-H781 WeakPolarHBondContact O-CB 3.38Å; Y778-H781 PolarHBondContact O-N 3.03Å; H781-G783 PolarHBondContact O-N 3.4Å; H781-G783 VanDerWaalsContact O-N 3.07Å; H781-L784 WeakPolarHBondContact O-CB 3.43Å; H781-L784 PolarHBondContact O-N 3.31Å; H781-R789 PolarHBondContact NE2-O 3Å; H781-R789 VanDerWaalsContact NE2-O 3.17Å; H781-R789 WeakPolarHBondContact O-CD 3.39Å; H781-R789 WeakPolarHBondContact O-CG 3.13Å; H781-F792 AromaticContact CD2-CD1 3.46Å; H781-F792 VanDerWaalsContact CD2-CD1 3.46Å; H781-F792 WeakPolarHBondContact CD2-CD1 3.48Å; H781-F792 AromaticContact CD2-CG 3.75Å; H781-F792 AromaticContact NE2-CD1 4Å |
| 782 | N | 83.6 | Confident | 88.3 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.2 | -178.9 | -72.7 | -21.8 | 0 | 0 | 0 | 115.2 | F780 | F780-N782 VanDerWaalsContact C-N 3.31Å; F780-N782 PolarHBondContact O-N 2.69Å |
| 783 | G | 88 | Confident | 88.2 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F748 N752 F780 H781 | F748-G783 WeakPolarHBondContact CB-O 3.33Å; F748-G783 VanDerWaalsContact CD1-CA 3.48Å; F748-G783 VanDerWaalsContact CD1-O 3.3Å; F748-G783 WeakPolarHBondContact CD1-O 3.29Å; N752-G783 PolarHBondContact ND2-O 2.93Å; F780-G783 PolarHBondContact O-N 2.91Å; H781-G783 PolarHBondContact O-N 3.4Å; H781-G783 VanDerWaalsContact O-N 3.07Å |
| 784 | L | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -79.3 | 147.9 | 179.9 | -63.1 | 173.8 | 0 | 0 | 0 | 110.9 | F748 L751 L755 M770 H781 I788 R789 F792 | F748-L784 HydrophobicContact CD1-CD2 4.15Å; F748-L784 HydrophobicContact CE1-CD2 4.01Å; F748-L784 HydrophobicContact CE1-CG 4.17Å; L751-L784 HydrophobicContact CD2-CD2 3.8Å; L755-L784 HydrophobicContact CD1-CD2 4.09Å; M770-L784 HydrophobicContact CE-CD1 4.46Å; M770-L784 HydrophobicContact SD-CD1 4.13Å; M770-L784 HydrophobicContact SD-CD2 3.99Å; H781-L784 WeakPolarHBondContact O-CB 3.43Å; H781-L784 PolarHBondContact O-N 3.31Å; L784-I788 HydrophobicContact CB-CB 4.43Å; L784-I788 HydrophobicContact CB-CG2 4.34Å; L784-I788 HydrophobicContact CD1-CG2 4.2Å; L784-R789 HydrophobicContact CB-CG 3.65Å; L784-R789 WeakPolarHBondContact O-CD 3.3Å; L784-R789 WeakPolarHBondContact O-CG 3.15Å; L784-R789 PolarHBondContact O-NE 3.04Å; L784-F792 HydrophobicContact CD1-CD2 3.42Å; L784-F792 VanDerWaalsContact CD1-CD2 3.42Å; L784-F792 HydrophobicContact CD1-CE2 3.7Å; L784-F792 HydrophobicContact CD1-CG 4.15Å |
| 785 | S | 90 | Very high | 88.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | trans | -56.8 | 145.7 | 175.2 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | N752 W787 I788 R789 | N752-S785 WeakPolarHBondContact CB-OG 3.25Å; N752-S785 PolarHBondContact OD1-N 3.43Å; N752-S785 PolarHBondContact OD1-OG 3.34Å; S785-W787 VanDerWaalsContact C-N 3.25Å; S785-W787 PolarHBondContact O-N 3.27Å; S785-W787 VanDerWaalsContact O-N 3.14Å; S785-I788 WeakPolarHBondContact O-CB 3.38Å; S785-I788 PolarHBondContact O-N 2.91Å; S785-R789 PolarHBondContact O-N 3.28Å | ||
| 786 | K | 89.4 | Confident | 88.3 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.8 | -41.1 | -173.9 | -175.1 | 178.9 | 177.1 | 178.9 | 0 | 113.8 | E553 M555 R789 S790 | E553-K786 HydrophobicContact CB-CB 4.49Å; E553-K786 HydrophobicContact CB-CD 3.94Å; E553-K786 WeakPolarHBondContact OE2-CB 3.46Å; E553-K786 WeakPolarHBondContact OE2-CD 3.42Å; M555-K786 HydrophobicContact SD-CD 4.19Å; M555-K786 HydrophobicContact SD-CG 4.14Å; K786-R789 PolarHBondContact O-N 3.44Å; K786-S790 PolarHBondContact O-N 2.9Å; K786-S790 VanDerWaalsContact O-N 3.07Å |
| 787 | W | 87 | Confident | 88.6 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 179.6 | 67.5 | -86.4 | 0 | 0 | 0 | 112.5 | P41 H556 V563 L759 L768 S785 S790 | P41-W787 HydrophobicContact CG-CD2 4.49Å; P41-W787 HydrophobicContact CG-CG 3.97Å; H556-W787 HydrophobicContact CB-CB 4.07Å; H556-W787 HydrophobicContact CB-CD2 4.32Å; H556-W787 HydrophobicContact CB-CE3 4.24Å; H556-W787 HydrophobicContact CB-CG 4.3Å; H556-W787 AromaticContact CD2-CE3 3.91Å; V563-W787 HydrophobicContact CG1-CZ3 4.28Å; L759-W787 HydrophobicContact CD1-CH2 3.82Å; L759-W787 HydrophobicContact CD1-CZ3 3.61Å; L768-W787 HydrophobicContact CD1-CH2 3.66Å; L768-W787 HydrophobicContact CD1-CZ3 3.76Å; S785-W787 VanDerWaalsContact C-N 3.25Å; S785-W787 PolarHBondContact O-N 3.27Å; S785-W787 VanDerWaalsContact O-N 3.14Å; W787-S790 PolarHBondContact O-OG 3.05Å |
| 788 | I | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 173.5 | -56.9 | -178.5 | 0 | 0 | 0 | 109.6 | V565 L755 L768 L784 S785 S790 K791 F792 | V565-I788 HydrophobicContact CG1-CG2 3.58Å; V565-I788 HydrophobicContact CG2-CG2 4.46Å; L755-I788 HydrophobicContact CB-CD1 3.86Å; L755-I788 HydrophobicContact CD1-CD1 3.78Å; L755-I788 HydrophobicContact CG-CD1 4.47Å; L768-I788 HydrophobicContact CD1-CD1 4.34Å; L768-I788 HydrophobicContact CD1-CG1 4.29Å; L784-I788 HydrophobicContact CB-CB 4.43Å; L784-I788 HydrophobicContact CB-CG2 4.34Å; L784-I788 HydrophobicContact CD1-CG2 4.2Å; S785-I788 WeakPolarHBondContact O-CB 3.38Å; S785-I788 PolarHBondContact O-N 2.91Å; I788-S790 PolarHBondContact O-N 2.98Å; I788-S790 VanDerWaalsContact O-N 3.16Å; I788-K791 PolarHBondContact O-N 2.84Å; I788-F792 PolarHBondContact O-N 2.89Å |
| 789 | R | 90.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.4 | -36.9 | 178.1 | -76 | -171 | -70.6 | 159.9 | -1.8 | 112.9 | E553 H781 L784 S785 K786 K791 F792 | E553-R789 IonicContact OE2-NH2 3.6Å; E553-R789 PolarHBondContact OE2-NH2 2.71Å; H781-R789 PolarHBondContact NE2-O 3Å; H781-R789 VanDerWaalsContact NE2-O 3.17Å; H781-R789 WeakPolarHBondContact O-CD 3.39Å; H781-R789 WeakPolarHBondContact O-CG 3.13Å; L784-R789 HydrophobicContact CB-CG 3.65Å; L784-R789 WeakPolarHBondContact O-CD 3.3Å; L784-R789 WeakPolarHBondContact O-CG 3.15Å; L784-R789 PolarHBondContact O-NE 3.04Å; S785-R789 PolarHBondContact O-N 3.28Å; K786-R789 PolarHBondContact O-N 3.44Å; R789-K791 PolarHBondContact O-N 3.48Å; R789-F792 PolarHBondContact O-N 2.97Å |
| 790 | S | 88.6 | Confident | 91 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 49% | 0.49 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.6 | -179.3 | 76.1 | 0 | 0 | 0 | 0 | 114.7 | K786 W787 I788 | K786-S790 PolarHBondContact O-N 2.9Å; K786-S790 VanDerWaalsContact O-N 3.07Å; W787-S790 PolarHBondContact O-OG 3.05Å; I788-S790 PolarHBondContact O-N 2.98Å; I788-S790 VanDerWaalsContact O-N 3.16Å |
| 791 | K | 90.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 46.7 Ų | 46.7 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -5.1 | -179.9 | -70.4 | -56.4 | -167.6 | 175.8 | 0 | 114.2 | P560 V565 I788 R789 Q793 | P560-K791 VanDerWaalsContact CB-NZ 3.29Å; P560-K791 WeakPolarHBondContact O-CE 3.44Å; V565-K791 HydrophobicContact CB-CB 4.07Å; V565-K791 HydrophobicContact CG2-CB 3.69Å; I788-K791 PolarHBondContact O-N 2.84Å; R789-K791 PolarHBondContact O-N 3.48Å; K791-Q793 PolarHBondContact O-N 2.68Å |
| 792 | F | 93 | Very high | 92.5 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | trans | -60.9 | 121.6 | -176.6 | 179.3 | -89.8 | 0 | 0 | 0 | 111.2 | V565 A567 M770 F775 H781 L784 I788 R789 H794 | V565-F792 HydrophobicContact CG1-CB 4.26Å; V565-F792 HydrophobicContact CG1-CD2 4.18Å; A567-F792 HydrophobicContact CB-CE2 3.56Å; A567-F792 HydrophobicContact CB-CZ 3.57Å; M770-F792 HydrophobicContact CE-CD2 3.55Å; M770-F792 HydrophobicContact CE-CE2 3.55Å; M770-F792 HydrophobicContact SD-CD2 4.42Å; M770-F792 HydrophobicContact SD-CE2 4.05Å; F775-F792 HydrophobicContact CB-CZ 4.24Å; H781-F792 AromaticContact CD2-CD1 3.46Å; H781-F792 VanDerWaalsContact CD2-CD1 3.46Å; H781-F792 WeakPolarHBondContact CD2-CD1 3.48Å; H781-F792 AromaticContact CD2-CG 3.75Å; H781-F792 AromaticContact NE2-CD1 4Å; L784-F792 HydrophobicContact CD1-CD2 3.42Å; L784-F792 VanDerWaalsContact CD1-CD2 3.42Å; L784-F792 HydrophobicContact CD1-CE2 3.7Å; L784-F792 HydrophobicContact CD1-CG 4.15Å; I788-F792 PolarHBondContact O-N 2.89Å; R789-F792 PolarHBondContact O-N 2.97Å; F792-H794 HydrophobicContact CE1-CB 4.03Å; F792-H794 HydrophobicContact CZ-CB 4.42Å | ||
| 793 | Q | 94 | Very high | 93.1 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.1 | 173.8 | -162.7 | 167.7 | -8.1 | 0 | 0 | 109.4 | V565 G566 A567 K791 Y795 | V565-Q793 PolarHBondContact O-N 3.1Å; G566-Q793 CarbonylContact C-O 3.55Å; G566-Q793 WeakPolarHBondContact CA-O 3.15Å; A567-Q793 PolarHBondContact N-O 3.24Å; K791-Q793 PolarHBondContact O-N 2.68Å; Q793-Y795 HydrophobicContact CB-CE2 4.07Å; Q793-Y795 HydrophobicContact CG-CE1 4.38Å; Q793-Y795 HydrophobicContact CG-CE2 4.2Å; Q793-Y795 PolarHBondContact OE1-OH 2.64Å |
| 794 | H | 94.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.2 | 175 | 172.9 | -81.3 | 0 | 0 | 0 | 109.3 | A567 C776 F792 | A567-H794 WeakPolarHBondContact O-CA 3.3Å; C776-H794 VanDerWaalsContact CA-CD2 3.45Å; C776-H794 WeakPolarHBondContact CA-CD2 3.4Å; C776-H794 WeakPolarHBondContact CA-NE2 3.39Å; C776-H794 WeakPolarHBondContact CB-NE2 3.37Å; F792-H794 HydrophobicContact CE1-CB 4.03Å; F792-H794 HydrophobicContact CZ-CB 4.42Å |
| 795 | Y | 96.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.4 | 179.5 | -59.6 | -93 | 0 | 0 | 0 | 110.7 | Y564 A567 Q793 E800 M801 D804 | Y564-Y795 WeakPolarHBondContact CE2-OH 3.45Å; Y564-Y795 VanDerWaalsContact OH-CE2 3.25Å; Y564-Y795 WeakPolarHBondContact OH-CE2 3.18Å; Y564-Y795 VanDerWaalsContact OH-CZ 3.3Å; Y564-Y795 PolarHBondContact OH-OH 2.96Å; Y564-Y795 VanDerWaalsContact OH-OH 3.06Å; A567-Y795 PolarHBondContact O-N 2.88Å; Q793-Y795 HydrophobicContact CB-CE2 4.07Å; Q793-Y795 HydrophobicContact CG-CE1 4.38Å; Q793-Y795 HydrophobicContact CG-CE2 4.2Å; Q793-Y795 PolarHBondContact OE1-OH 2.64Å; Y795-E800 HydrophobicContact CD1-CB 4.29Å; Y795-E800 HydrophobicContact CD1-CG 3.86Å; Y795-E800 HydrophobicContact CE1-CG 4.42Å; Y795-M801 HydrophobicContact CD1-CB 3.99Å; Y795-M801 HydrophobicContact CD2-CB 3.72Å; Y795-M801 HydrophobicContact CD2-CG 3.59Å; Y795-M801 HydrophobicContact CE1-CB 4.48Å; Y795-M801 HydrophobicContact CE2-CB 4.24Å; Y795-M801 HydrophobicContact CE2-CG 3.83Å; Y795-M801 HydrophobicContact CG-CB 3.57Å; Y795-M801 HydrophobicContact CG-CG 4.02Å; Y795-D804 HydrophobicContact CE1-CB 4.13Å; Y795-D804 PolarHBondContact OH-OD2 3.29Å |
| 796 | S | 93.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -77.3 | -28.8 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | L570 | L570-S796 WeakPolarHBondContact CD1-O 3.41Š|
| 797 | C | 93.7 | Very high | 94.6 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -132.2 | 158.3 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | E800 | C797-E800 WeakPolarHBondContact SG-CB 3.28Š|
| 798 | F | 97.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | -177.7 | -178.3 | -102.5 | 0 | 0 | 0 | 112.7 | V568 G571 P572 T596 A599 E800 M801 M802 | V568-F798 HydrophobicContact CG1-CD2 4.34Å; G571-F798 WeakPolarHBondContact O-CB 3.39Å; P572-F798 HydrophobicContact CB-CD1 3.89Å; P572-F798 HydrophobicContact CB-CE1 4.02Å; P572-F798 HydrophobicContact CG-CD1 3.76Å; P572-F798 HydrophobicContact CG-CE1 3.54Å; P572-F798 HydrophobicContact CG-CG 4.37Å; P572-F798 HydrophobicContact CG-CZ 4Å; T596-F798 HydrophobicContact CG2-CD2 4.42Å; T596-F798 HydrophobicContact CG2-CE2 3.73Å; T596-F798 HydrophobicContact CG2-CZ 4.39Å; A599-F798 HydrophobicContact CB-CE1 3.83Å; A599-F798 HydrophobicContact CB-CZ 3.66Å; F798-E800 PolarHBondContact O-N 2.84Å; F798-M801 HydrophobicContact CD2-CE 3.97Å; F798-M801 HydrophobicContact CE2-CE 3.6Å; F798-M801 HydrophobicContact CZ-CE 4.47Å; F798-M801 WeakPolarHBondContact O-CB 3.35Å; F798-M801 PolarHBondContact O-N 3.16Å; F798-M802 HydrophobicContact CD1-CG 3.88Å; F798-M802 HydrophobicContact CD2-CG 4.46Å; F798-M802 HydrophobicContact CE1-CG 3.32Å; F798-M802 HydrophobicContact CE1-SD 4.05Å; F798-M802 HydrophobicContact CE2-CG 3.94Å; F798-M802 HydrophobicContact CE2-SD 3.95Å; F798-M802 HydrophobicContact CG-CG 4.42Å; F798-M802 HydrophobicContact CZ-CG 3.36Å; F798-M802 HydrophobicContact CZ-SD 3.45Å; F798-M802 WeakPolarHBondContact CZ-SD 3.32Å; F798-M802 WeakPolarHBondContact O-CG 3.09Å; F798-M802 PolarHBondContact O-N 2.75Å |
| 799 | D | 97 | Very high | 95.3 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | -175.4 | -60.8 | -32.7 | 0 | 0 | 0 | 112.1 | M801 M802 D803 | D799-M801 VanDerWaalsContact C-N 3.34Å; D799-M801 PolarHBondContact O-N 3.09Å; D799-M802 PolarHBondContact O-N 3.38Å; D799-M802 VanDerWaalsContact O-N 3.1Å; D799-D803 PolarHBondContact O-N 3.43Å |
| 800 | E | 96.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.2 | -174.6 | -168.6 | 179.7 | 0 | 0 | 111.8 | Y795 C797 F798 M802 D804 | Y795-E800 HydrophobicContact CD1-CB 4.29Å; Y795-E800 HydrophobicContact CD1-CG 3.86Å; Y795-E800 HydrophobicContact CE1-CG 4.42Å; C797-E800 WeakPolarHBondContact SG-CB 3.28Å; F798-E800 PolarHBondContact O-N 2.84Å; E800-M802 VanDerWaalsContact C-N 3.31Å; E800-M802 PolarHBondContact O-N 3.48Å; E800-D804 PolarHBondContact O-N 3.29Å |
| 801 | M | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.5 | -173.5 | -163.7 | 70.8 | 0 | 0 | 110.9 | Y564 V568 I600 I769 Y795 F798 D799 L805 | Y564-M801 VanDerWaalsContact OH-CG 3.25Å; Y564-M801 WeakPolarHBondContact OH-CG 3.46Å; Y564-M801 PolarHBondContact OH-O 3.05Å; V568-M801 HydrophobicContact CB-SD 3.77Å; V568-M801 HydrophobicContact CG1-CE 3.98Å; V568-M801 HydrophobicContact CG1-SD 3.48Å; V568-M801 WeakPolarHBondContact CG1-SD 3.48Å; I600-M801 HydrophobicContact CD1-CE 4.49Å; I600-M801 HydrophobicContact CG1-CE 4.45Å; I769-M801 HydrophobicContact CG2-CE 4.33Å; I769-M801 HydrophobicContact CG2-SD 4.03Å; Y795-M801 HydrophobicContact CD1-CB 3.99Å; Y795-M801 HydrophobicContact CD2-CB 3.72Å; Y795-M801 HydrophobicContact CD2-CG 3.59Å; Y795-M801 HydrophobicContact CE1-CB 4.48Å; Y795-M801 HydrophobicContact CE2-CB 4.24Å; Y795-M801 HydrophobicContact CE2-CG 3.83Å; Y795-M801 HydrophobicContact CG-CB 3.57Å; Y795-M801 HydrophobicContact CG-CG 4.02Å; F798-M801 HydrophobicContact CD2-CE 3.97Å; F798-M801 HydrophobicContact CE2-CE 3.6Å; F798-M801 HydrophobicContact CZ-CE 4.47Å; F798-M801 WeakPolarHBondContact O-CB 3.35Å; F798-M801 PolarHBondContact O-N 3.16Å; D799-M801 VanDerWaalsContact C-N 3.34Å; D799-M801 PolarHBondContact O-N 3.09Å; M801-L805 WeakPolarHBondContact O-CB 3.37Å; M801-L805 PolarHBondContact O-N 2.78Å |
| 802 | M | 98.1 | Very high | 96 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | -177.9 | -71.8 | -55.3 | -56.9 | 0 | 0 | 113 | A599 I600 V603 F798 D799 E800 L805 S806 | A599-M802 HydrophobicContact CB-CE 4.37Å; A599-M802 VanDerWaalsContact O-CE 3.31Å; A599-M802 WeakPolarHBondContact O-CE 3.49Å; I600-M802 HydrophobicContact CG1-SD 4.02Å; V603-M802 HydrophobicContact CB-CE 4.12Å; V603-M802 HydrophobicContact CG2-CE 3.42Å; V603-M802 VanDerWaalsContact CG2-CE 3.42Å; F798-M802 HydrophobicContact CD1-CG 3.88Å; F798-M802 HydrophobicContact CD2-CG 4.46Å; F798-M802 HydrophobicContact CE1-CG 3.32Å; F798-M802 HydrophobicContact CE1-SD 4.05Å; F798-M802 HydrophobicContact CE2-CG 3.94Å; F798-M802 HydrophobicContact CE2-SD 3.95Å; F798-M802 HydrophobicContact CG-CG 4.42Å; F798-M802 HydrophobicContact CZ-CG 3.36Å; F798-M802 HydrophobicContact CZ-SD 3.45Å; F798-M802 WeakPolarHBondContact CZ-SD 3.32Å; F798-M802 WeakPolarHBondContact O-CG 3.09Å; F798-M802 PolarHBondContact O-N 2.75Å; D799-M802 PolarHBondContact O-N 3.38Å; D799-M802 VanDerWaalsContact O-N 3.1Å; E800-M802 VanDerWaalsContact C-N 3.31Å; E800-M802 PolarHBondContact O-N 3.48Å; M802-L805 HydrophobicContact CE-CD2 4.33Å; M802-L805 HydrophobicContact SD-CD2 4.17Å; M802-S806 VanDerWaalsContact O-CB 3.28Å; M802-S806 WeakPolarHBondContact O-CB 3.45Å; M802-S806 PolarHBondContact O-N 2.87Å; M802-S806 PolarHBondContact O-OG 3.47Å |
| 803 | D | 97.5 | Very high | 95.7 | Very high | 119 Ų | 119 | 54.5 Ų | 54.5 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 175.2 | -74.7 | -20 | 0 | 0 | 0 | 110.9 | D799 S806 S807 | D799-D803 PolarHBondContact O-N 3.43Å; D803-S806 PolarHBondContact O-N 2.88Å; D803-S807 WeakPolarHBondContact O-CB 3.29Å; D803-S807 PolarHBondContact O-N 3.05Å |
| 804 | D | 97.6 | Very high | 95 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 177.9 | -168.2 | 27.2 | 0 | 0 | 0 | 111.9 | Y564 Y795 E800 S806 S807 F808 | Y564-D804 HydrophobicContact CE2-CB 4.4Å; Y795-D804 HydrophobicContact CE1-CB 4.13Å; Y795-D804 PolarHBondContact OH-OD2 3.29Å; E800-D804 PolarHBondContact O-N 3.29Å; D804-S806 VanDerWaalsContact C-N 3.31Å; D804-S806 PolarHBondContact O-N 2.89Å; D804-S807 WeakPolarHBondContact O-CB 3.49Å; D804-S807 PolarHBondContact O-N 3.29Å; D804-F808 WeakPolarHBondContact O-CB 3.38Å; D804-F808 PolarHBondContact O-N 2.97Å |
| 805 | L | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 173.3 | -178.7 | 63.3 | 0 | 0 | 0 | 111.6 | Y564 V603 I604 A767 I769 M801 M802 F808 V809 | Y564-L805 HydrophobicContact CD1-CD1 3.82Å; Y564-L805 HydrophobicContact CE1-CD1 3.82Å; Y564-L805 HydrophobicContact CG-CD1 4.21Å; V603-L805 HydrophobicContact CG1-CD2 4.4Å; V603-L805 HydrophobicContact CG1-CG 4.09Å; I604-L805 HydrophobicContact CD1-CD1 3.83Å; I604-L805 HydrophobicContact CD1-CD2 4.15Å; I604-L805 HydrophobicContact CD1-CG 4.18Å; I604-L805 HydrophobicContact CG1-CD2 4.48Å; A767-L805 HydrophobicContact CB-CD1 3.78Å; I769-L805 HydrophobicContact CD1-CD1 4.24Å; I769-L805 HydrophobicContact CD1-CD2 3.72Å; M801-L805 WeakPolarHBondContact O-CB 3.37Å; M801-L805 PolarHBondContact O-N 2.78Å; M802-L805 HydrophobicContact CE-CD2 4.33Å; M802-L805 HydrophobicContact SD-CD2 4.17Å; L805-F808 PolarHBondContact O-N 3.17Å; L805-V809 HydrophobicContact CD1-CG2 4.47Å; L805-V809 WeakPolarHBondContact O-CG2 3.36Å; L805-V809 PolarHBondContact O-N 2.96Å |
| 806 | S | 97.3 | Very high | 93 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | V603 M802 D803 D804 F808 V809 N810 | V603-S806 WeakPolarHBondContact CG2-OG 3.46Å; M802-S806 VanDerWaalsContact O-CB 3.28Å; M802-S806 WeakPolarHBondContact O-CB 3.45Å; M802-S806 PolarHBondContact O-N 2.87Å; M802-S806 PolarHBondContact O-OG 3.47Å; D803-S806 PolarHBondContact O-N 2.88Å; D804-S806 VanDerWaalsContact C-N 3.31Å; D804-S806 PolarHBondContact O-N 2.89Å; S806-F808 PolarHBondContact O-N 3.49Å; S806-V809 PolarHBondContact O-N 2.84Å; S806-N810 WeakPolarHBondContact O-CB 3.48Å; S806-N810 PolarHBondContact O-N 2.61Å; S806-N810 PolarHBondContact O-ND2 3.1Å |
| 807 | S | 97 | Very high | 93 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 173.9 | -178 | 0 | 0 | 0 | 0 | 112.1 | D803 D804 R811 | D803-S807 WeakPolarHBondContact O-CB 3.29Å; D803-S807 PolarHBondContact O-N 3.05Å; D804-S807 WeakPolarHBondContact O-CB 3.49Å; D804-S807 PolarHBondContact O-N 3.29Å; S807-R811 WeakPolarHBondContact O-CB 3.48Å; S807-R811 PolarHBondContact O-N 2.68Å; S807-R811 VanDerWaalsContact O-N 3.13Å |
| 808 | F | 97.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 176.1 | 170.1 | -98.3 | 0 | 0 | 0 | 112.4 | E561 Y564 W765 A767 D804 L805 S806 L812 | E561-F808 WeakPolarHBondContact O-CE2 3.32Å; Y564-F808 HydrophobicContact CD2-CB 4.07Å; Y564-F808 HydrophobicContact CD2-CD2 4.49Å; Y564-F808 HydrophobicContact CD2-CG 4.14Å; Y564-F808 HydrophobicContact CG-CD1 4.26Å; Y564-F808 HydrophobicContact CG-CG 4.25Å; W765-F808 AromaticContact CE3-CE1 3.72Å; W765-F808 HydrophobicContact CE3-CE1 3.72Å; W765-F808 HydrophobicContact CE3-CZ 4.04Å; W765-F808 AromaticContact CZ3-CE1 3.87Å; W765-F808 HydrophobicContact CZ3-CE1 3.87Å; A767-F808 HydrophobicContact CB-CE1 4.24Å; D804-F808 WeakPolarHBondContact O-CB 3.38Å; D804-F808 PolarHBondContact O-N 2.97Å; L805-F808 PolarHBondContact O-N 3.17Å; S806-F808 PolarHBondContact O-N 3.49Å; F808-L812 HydrophobicContact CD1-CD1 4.19Å; F808-L812 HydrophobicContact CD2-CD1 3.98Å; F808-L812 HydrophobicContact CE1-CD1 3.65Å; F808-L812 HydrophobicContact CE2-CD1 3.39Å; F808-L812 HydrophobicContact CG-CD1 4.35Å; F808-L812 HydrophobicContact CZ-CD1 3.21Å; F808-L812 PolarHBondContact O-N 2.9Å |
| 809 | V | 96.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -47.6 | -179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V603 I604 P605 W765 L805 S806 R811 L812 E813 | V603-V809 HydrophobicContact CG1-CB 4.26Å; V603-V809 HydrophobicContact CG1-CG2 4.07Å; I604-V809 HydrophobicContact CD1-CG2 3.7Å; P605-V809 HydrophobicContact CG-CG1 4.42Å; W765-V809 HydrophobicContact CH2-CG1 4.46Å; W765-V809 HydrophobicContact CH2-CG2 4.47Å; W765-V809 HydrophobicContact CZ3-CG2 4.4Å; L805-V809 HydrophobicContact CD1-CG2 4.47Å; L805-V809 WeakPolarHBondContact O-CG2 3.36Å; L805-V809 PolarHBondContact O-N 2.96Å; S806-V809 PolarHBondContact O-N 2.84Å; V809-R811 VanDerWaalsContact C-N 3.28Å; V809-R811 PolarHBondContact O-N 3.28Å; V809-L812 PolarHBondContact O-N 2.86Å; V809-L812 VanDerWaalsContact O-N 3.07Å; V809-E813 HydrophobicContact CG1-CG 3.99Å; V809-E813 WeakPolarHBondContact O-CB 3.35Å; V809-E813 PolarHBondContact O-N 2.91Å |
| 810 | N | 95.4 | Very high | 92.4 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | -179.3 | -72 | -21.5 | 0 | 0 | 0 | 111.3 | S806 L812 E813 G814 K815 | S806-N810 WeakPolarHBondContact O-CB 3.48Å; S806-N810 PolarHBondContact O-N 2.61Å; S806-N810 PolarHBondContact O-ND2 3.1Å; N810-L812 VanDerWaalsContact C-N 3.29Å; N810-L812 PolarHBondContact O-N 3.25Å; N810-E813 PolarHBondContact O-N 3.09Å; N810-G814 PolarHBondContact O-N 3Å; N810-K815 HydrophobicContact CB-CB 4.24Å; N810-K815 PolarHBondContact O-N 3.16Å |
| 811 | R | 95.1 | Very high | 92.1 | Very high | 145 Ų | 145 | 60.5 Ų | 60.5 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 176.6 | -178.4 | 176.2 | 64.3 | -140.7 | 2.6 | 113.3 | E561 S807 V809 | E561-R811 PolarHBondContact O-NH2 3.43Å; S807-R811 WeakPolarHBondContact O-CB 3.48Å; S807-R811 PolarHBondContact O-N 2.68Å; S807-R811 VanDerWaalsContact O-N 3.13Å; V809-R811 VanDerWaalsContact C-N 3.28Å; V809-R811 PolarHBondContact O-N 3.28Å |
| 812 | L | 92.9 | Very high | 91.7 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -86.7 | -28.8 | -176.4 | -69.9 | 170.3 | 0 | 0 | 0 | 113.4 | R562 W765 F808 V809 N810 | R562-L812 HydrophobicContact CG-CD2 4.18Å; W765-L812 HydrophobicContact CB-CD1 3.77Å; W765-L812 HydrophobicContact CB-CD2 4.44Å; W765-L812 HydrophobicContact CD2-CB 4.1Å; W765-L812 HydrophobicContact CD2-CD1 3.64Å; W765-L812 HydrophobicContact CD2-CG 4.45Å; W765-L812 HydrophobicContact CE3-CD1 3.62Å; W765-L812 HydrophobicContact CG-CB 4.35Å; W765-L812 HydrophobicContact CG-CD1 3.74Å; W765-L812 HydrophobicContact CG-CD2 4.5Å; W765-L812 HydrophobicContact CG-CG 4.44Å; W765-L812 HydrophobicContact CZ2-CB 4.34Å; W765-L812 HydrophobicContact CZ3-CD1 4.37Å; F808-L812 HydrophobicContact CD1-CD1 4.19Å; F808-L812 HydrophobicContact CD2-CD1 3.98Å; F808-L812 HydrophobicContact CE1-CD1 3.65Å; F808-L812 HydrophobicContact CE2-CD1 3.39Å; F808-L812 HydrophobicContact CG-CD1 4.35Å; F808-L812 HydrophobicContact CZ-CD1 3.21Å; F808-L812 PolarHBondContact O-N 2.9Å; V809-L812 PolarHBondContact O-N 2.86Å; V809-L812 VanDerWaalsContact O-N 3.07Å; N810-L812 VanDerWaalsContact C-N 3.29Å; N810-L812 PolarHBondContact O-N 3.25Å |
| 813 | E | 87.6 | Confident | 91.2 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76.8 | -10.3 | 170.1 | -71.6 | -71.5 | 125.3 | 0 | 0 | 112.6 | P605 W765 V809 N810 K815 | P605-E813 HydrophobicContact CG-CG 4.26Å; W765-E813 HydrophobicContact CZ2-CG 4.46Å; W765-E813 WeakPolarHBondContact CZ2-OE1 3.41Å; V809-E813 HydrophobicContact CG1-CG 3.99Å; V809-E813 WeakPolarHBondContact O-CB 3.35Å; V809-E813 PolarHBondContact O-N 2.91Å; N810-E813 PolarHBondContact O-N 3.09Å; E813-K815 HydrophobicContact CB-CD 4.28Å; E813-K815 HydrophobicContact CB-CG 4.15Å |
| 814 | G | 78.9 | Confident | 90.7 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 74% | 0.742 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 31.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N810 | N810-G814 PolarHBondContact O-N 3Š|
| 815 | K | 55.4 | Low | 90.1 | Very high | 197 Ų | 197 | 64.8 Ų | 64.8 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | trans | -96.8 | 0 | 179.2 | -69.2 | -179.1 | -177.3 | 170.2 | 0 | 113.1 | N810 E813 | N810-K815 HydrophobicContact CB-CB 4.24Å; N810-K815 PolarHBondContact O-N 3.16Å; E813-K815 HydrophobicContact CB-CD 4.28Å; E813-K815 HydrophobicContact CB-CG 4.15Å |
Retrieved 815 of 815 residues in 1172.2 ms
(Link to these results)