| 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 | 59.2 | Low | 84 | Confident | 201 Ų | 201 | 35 Ų | 35 | 99% | 0.99 | 19% | 0.186 | S | C | * | . | 0 | 121.3 | 0 | -69.5 | 178.3 | -171.4 | 0 | 0 | 106.3 | I3 S4 | M1-I3 HydrophobicContact CB-CG2 4.2Å; M1-I3 PolarHBondContact O-N 2.72Å; M1-S4 PolarHBondContact O-N 3.2Å; M1-S4 PolarHBondContact O-OG 3.2Å | |||
| 2 | L | 75.9 | Confident | 84.3 | Confident | 21 Ų | 21 | 35.4 Ų | 35.4 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.4 | -177.6 | -70.6 | 172.8 | 0 | 0 | 0 | 112.7 | S4 V5 E6 N90 L94 R179 L180 | L2-S4 PolarHBondContact O-N 3.49Å; L2-V5 WeakPolarHBondContact O-CA 3.45Å; L2-V5 WeakPolarHBondContact O-CB 3.42Å; L2-V5 PolarHBondContact O-N 3.08Å; L2-E6 PolarHBondContact O-N 2.86Å; L2-N90 HydrophobicContact CD2-CB 4.09Å; L2-L94 HydrophobicContact CD2-CD1 3.7Å; L2-L94 HydrophobicContact CD2-CD2 3.79Å; L2-L94 HydrophobicContact CD2-CG 3.63Å; L2-R179 HydrophobicContact CD1-CB 3.57Å; L2-L180 HydrophobicContact CB-CD2 4.05Å; L2-L180 HydrophobicContact CD1-CD2 3.77Å; L2-L180 HydrophobicContact CD1-CG 4.37Å; L2-L180 HydrophobicContact CG-CD2 4.35Å |
| 3 | I | 81.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -28.5 | -179.1 | -148.8 | 155.1 | 0 | 0 | 0 | 114.1 | M1 V5 E6 I7 L182 A222 | M1-I3 HydrophobicContact CB-CG2 4.2Å; M1-I3 PolarHBondContact O-N 2.72Å; I3-V5 PolarHBondContact O-N 3.09Å; I3-E6 PolarHBondContact O-N 3.12Å; I3-I7 HydrophobicContact CG1-CD1 4.35Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.44Å; I3-I7 VanDerWaalsContact O-N 3.13Å; I3-L182 HydrophobicContact CG1-CD1 4.45Å; I3-A222 HydrophobicContact CD1-CB 3.36Å; I3-A222 HydrophobicContact CG1-CB 4.47Å |
| 4 | S | 80.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 38.1 Ų | 38.1 | 48% | 0.476 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.9 | -18.1 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | M1 L2 P8 W22 | M1-S4 PolarHBondContact O-N 3.2Å; M1-S4 PolarHBondContact O-OG 3.2Å; L2-S4 PolarHBondContact O-N 3.49Å; S4-P8 WeakPolarHBondContact O-CD 3.26Å; S4-W22 WeakPolarHBondContact O-CZ3 3.29Å |
| 5 | V | 86.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -94.9 | -40.2 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | L2 I3 I7 P8 V9 W22 I26 L36 L94 | L2-V5 WeakPolarHBondContact O-CA 3.45Å; L2-V5 WeakPolarHBondContact O-CB 3.42Å; L2-V5 PolarHBondContact O-N 3.08Å; I3-V5 PolarHBondContact O-N 3.09Å; V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 3.47Å; V5-P8 WeakPolarHBondContact O-CD 3.28Å; V5-V9 HydrophobicContact CG1-CG2 4.19Å; V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.23Å; V5-V9 WeakPolarHBondContact O-CG2 3.22Å; V5-V9 PolarHBondContact O-N 3.23Å; V5-W22 HydrophobicContact CB-CH2 4.1Å; V5-W22 HydrophobicContact CB-CZ3 4.49Å; V5-W22 HydrophobicContact CG1-CH2 3.75Å; V5-W22 HydrophobicContact CG1-CZ2 4.36Å; V5-W22 HydrophobicContact CG2-CH2 4.23Å; V5-W22 HydrophobicContact CG2-CZ3 4.41Å; V5-I26 HydrophobicContact CG2-CD1 3.72Å; V5-I26 HydrophobicContact CG2-CG1 4.22Å; V5-L36 HydrophobicContact CG1-CD1 3.74Å; V5-L36 HydrophobicContact CG1-CD2 4.08Å; V5-L94 HydrophobicContact CB-CD2 4.11Å; V5-L94 HydrophobicContact CG1-CD1 4.43Å; V5-L94 HydrophobicContact CG1-CD2 3.68Å; V5-L94 HydrophobicContact CG2-CD1 4.39Å |
| 6 | E | 89.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | -179.1 | -66.6 | -179.2 | 90.1 | 0 | 0 | 112.7 | L2 I3 V9 L10 L97 L180 Q181 L182 | L2-E6 PolarHBondContact O-N 2.86Å; I3-E6 PolarHBondContact O-N 3.12Å; E6-V9 PolarHBondContact O-N 3.1Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 WeakPolarHBondContact O-CG 3.37Å; E6-L10 PolarHBondContact O-N 3.11Å; E6-L97 HydrophobicContact CG-CD2 4.46Å; E6-L180 HydrophobicContact CG-CD2 3.99Å; E6-L180 WeakPolarHBondContact OE1-CA 3.27Å; E6-Q181 PolarHBondContact OE1-N 2.99Å; E6-Q181 VanDerWaalsContact OE1-N 3.08Å; E6-Q181 PolarHBondContact OE2-N 3.26Å; E6-L182 HydrophobicContact CB-CB 4.43Å; E6-L182 HydrophobicContact CB-CD1 4.13Å; E6-L182 WeakPolarHBondContact OE1-CA 3.47Å; E6-L182 PolarHBondContact OE1-N 3.04Å |
| 7 | I | 89.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -54.1 | -178.2 | -72.7 | 169.5 | 0 | 0 | 0 | 111.7 | I3 V5 V9 L10 R11 L182 Q226 L229 | I3-I7 HydrophobicContact CG1-CD1 4.35Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.44Å; I3-I7 VanDerWaalsContact O-N 3.13Å; V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 3.47Å; I7-V9 VanDerWaalsContact C-N 3.33Å; I7-V9 PolarHBondContact O-N 3.49Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.05Å; I7-L182 HydrophobicContact CG1-CD1 4.24Å; I7-Q226 HydrophobicContact CD1-CG 4.36Å; I7-Q226 HydrophobicContact CG2-CG 4.31Å; I7-L229 HydrophobicContact CG2-CD1 3.9Å |
| 8 | P | 89.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 177.3 | -28.6 | 39.9 | 0 | 0 | 0 | 113.8 | S4 V5 R11 G12 L14 W22 | S4-P8 WeakPolarHBondContact O-CD 3.26Å; V5-P8 WeakPolarHBondContact O-CD 3.28Å; P8-R11 PolarHBondContact O-N 2.94Å; P8-G12 PolarHBondContact O-N 3.44Å; P8-L14 HydrophobicContact CB-CD2 3.68Å; P8-L14 HydrophobicContact CG-CD2 4.03Å; P8-W22 HydrophobicContact CB-CH2 4.19Å; P8-W22 HydrophobicContact CB-CZ3 3.94Å; P8-W22 HydrophobicContact CG-CE3 4.38Å; P8-W22 HydrophobicContact CG-CH2 4.37Å; P8-W22 HydrophobicContact CG-CZ3 3.7Å |
| 9 | V | 91.2 | Very high | 83.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V5 E6 I7 G12 L36 L39 V101 W186 | V5-V9 HydrophobicContact CG1-CG2 4.19Å; V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.23Å; V5-V9 WeakPolarHBondContact O-CG2 3.22Å; V5-V9 PolarHBondContact O-N 3.23Å; E6-V9 PolarHBondContact O-N 3.1Å; I7-V9 VanDerWaalsContact C-N 3.33Å; I7-V9 PolarHBondContact O-N 3.49Å; V9-G12 PolarHBondContact O-N 3.31Å; V9-L36 HydrophobicContact CG2-CD2 4Å; V9-L39 HydrophobicContact CG1-CD2 4.19Å; V9-L39 HydrophobicContact CG2-CD2 4.4Å; V9-V101 HydrophobicContact CG1-CG1 4.34Å; V9-V101 HydrophobicContact CG1-CG2 4.01Å; V9-W186 HydrophobicContact CG1-CZ2 3.91Å; V9-W186 WeakPolarHBondContact O-CZ2 3.29Å |
| 10 | L | 91.2 | Very high | 82.8 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 174.8 | -82.5 | 163.6 | 0 | 0 | 0 | 113 | E6 I7 G12 L182 W185 W186 R189 | E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 WeakPolarHBondContact O-CG 3.37Å; E6-L10 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 3.42Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-L182 HydrophobicContact CD1-CB 3.57Å; L10-L182 HydrophobicContact CD1-CD1 3.47Å; L10-L182 VanDerWaalsContact CD1-CD1 3.47Å; L10-L182 HydrophobicContact CD1-CG 4.12Å; L10-W185 HydrophobicContact CD1-CE3 3.74Å; L10-W185 HydrophobicContact CD1-CZ3 4.07Å; L10-W185 HydrophobicContact CD2-CB 4.35Å; L10-W185 HydrophobicContact CD2-CD2 4Å; L10-W185 HydrophobicContact CD2-CE3 4.03Å; L10-W185 HydrophobicContact CD2-CG 4.19Å; L10-W185 HydrophobicContact CG-CE3 4.47Å; L10-W186 HydrophobicContact CD2-CD2 4.2Å; L10-W186 HydrophobicContact CD2-CG 4.43Å; L10-W186 HydrophobicContact CD2-CZ2 3.9Å; L10-W186 HydrophobicContact CG-CZ2 4.3Å; L10-R189 PolarHBondContact O-NH1 3.4Å |
| 11 | R | 89.6 | Confident | 82.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -31.1 | 178.2 | -158.6 | -170.7 | -63.4 | 130.2 | -8.1 | 112 | I7 P8 F13 E18 L229 T305 | I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.05Å; P8-R11 PolarHBondContact O-N 2.94Å; R11-F13 VanDerWaalsContact C-N 3.34Å; R11-F13 VanDerWaalsContact CD-CZ 3.42Å; R11-F13 HydrophobicContact CG-CD1 3.95Å; R11-F13 HydrophobicContact CG-CE1 3.53Å; R11-F13 HydrophobicContact CG-CZ 3.9Å; R11-E18 IonicContact CZ-OE1 2.99Å; R11-E18 IonicContact CZ-OE2 3.84Å; R11-E18 VanDerWaalsContact NH1-CD 3.28Å; R11-E18 IonicContact NH1-OE1 3.89Å; R11-E18 PolarHBondContact NH1-OE1 3.15Å; R11-E18 IonicContact NH1-OE2 2.9Å; R11-E18 PolarHBondContact NH1-OE2 2.65Å; R11-E18 IonicContact NH2-OE1 2.66Å; R11-E18 PolarHBondContact NH2-OE1 3.32Å; R11-L229 HydrophobicContact CB-CD2 4.22Å; R11-L229 HydrophobicContact CG-CD2 4.37Å; R11-T305 WeakPolarHBondContact CD-O 3.33Å |
| 12 | G | 87.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 4.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P8 V9 L10 | P8-G12 PolarHBondContact O-N 3.44Å; V9-G12 PolarHBondContact O-N 3.31Å; L10-G12 VanDerWaalsContact C-N 3.31Å |
| 13 | F | 87.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -157.7 | 161.2 | 175.5 | 68.3 | -86.7 | 0 | 0 | 0 | 111.6 | R11 T305 S306 P307 | R11-F13 VanDerWaalsContact C-N 3.34Å; R11-F13 VanDerWaalsContact CD-CZ 3.42Å; R11-F13 HydrophobicContact CG-CD1 3.95Å; R11-F13 HydrophobicContact CG-CE1 3.53Å; R11-F13 HydrophobicContact CG-CZ 3.9Å; F13-T305 WeakPolarHBondContact CZ-O 3.34Å; F13-S306 WeakPolarHBondContact CZ-O 3.43Å; F13-P307 HydrophobicContact CD1-CB 4.33Å; F13-P307 HydrophobicContact CE1-CB 3.72Å; F13-P307 HydrophobicContact CE1-CG 4.45Å; F13-P307 HydrophobicContact CZ-CB 4.33Å |
| 14 | L | 86.3 | Confident | 80.6 | Confident | 52 Ų | 52 | 44 Ų | 44 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | trans | -94.3 | 138.2 | 177 | -65.8 | 165.4 | 0 | 0 | 0 | 110.9 | P8 E18 A19 W22 L40 | P8-L14 HydrophobicContact CB-CD2 3.68Å; P8-L14 HydrophobicContact CG-CD2 4.03Å; L14-E18 HydrophobicContact CB-CB 4.36Å; L14-E18 HydrophobicContact CD2-CB 3.99Å; L14-A19 HydrophobicContact CB-CB 4.37Å; L14-W22 HydrophobicContact CD1-CB 4.19Å; L14-W22 HydrophobicContact CD1-CD2 4.25Å; L14-W22 HydrophobicContact CD1-CG 3.92Å; L14-W22 HydrophobicContact CD2-CB 4.31Å; L14-W22 HydrophobicContact CD2-CD2 3.65Å; L14-W22 HydrophobicContact CD2-CE3 3.48Å; L14-W22 VanDerWaalsContact CD2-CE3 3.48Å; L14-W22 HydrophobicContact CD2-CG 4.04Å; L14-W22 HydrophobicContact CD2-CZ3 3.96Å; L14-L40 HydrophobicContact CD1-CD1 3.99Å; L14-L40 HydrophobicContact CD2-CD1 4.21Å; L14-L40 HydrophobicContact CG-CD1 3.97Å | ||
| 15 | T | 85.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | trans | -71 | 165.2 | 166.2 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | S17 E18 A19 | T15-S17 PolarHBondContact O-N 3.42Å; T15-S17 PolarHBondContact OG1-OG 3.29Å; T15-S17 VanDerWaalsContact OG1-OG 3.13Å; T15-E18 PolarHBondContact N-OE2 2.89Å; T15-E18 PolarHBondContact O-N 3.09Å; T15-E18 VanDerWaalsContact O-N 3.16Å; T15-E18 WeakPolarHBondContact OG1-CB 3.48Å; T15-E18 WeakPolarHBondContact OG1-CG 3.3Å; T15-E18 PolarHBondContact OG1-N 3.25Å; T15-E18 PolarHBondContact OG1-OE2 3.1Å; T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 3.18Å | ||
| 16 | A | 78.7 | Confident | 78.2 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.1 | -36.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 17 | S | 77 | Confident | 76.4 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.7 | -32.5 | 177.4 | 55.9 | 0 | 0 | 0 | 0 | 113 | T15 T20 N21 | T15-S17 PolarHBondContact O-N 3.42Å; T15-S17 PolarHBondContact OG1-OG 3.29Å; T15-S17 VanDerWaalsContact OG1-OG 3.13Å; S17-T20 PolarHBondContact O-OG1 3.45Å; S17-N21 PolarHBondContact O-ND2 3.38Å |
| 18 | E | 81.3 | Confident | 74.7 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 174.7 | -72.3 | 164 | -176.9 | 0 | 0 | 111.2 | R11 L14 T15 T20 N21 W22 | R11-E18 IonicContact CZ-OE1 2.99Å; R11-E18 IonicContact CZ-OE2 3.84Å; R11-E18 VanDerWaalsContact NH1-CD 3.28Å; R11-E18 IonicContact NH1-OE1 3.89Å; R11-E18 PolarHBondContact NH1-OE1 3.15Å; R11-E18 IonicContact NH1-OE2 2.9Å; R11-E18 PolarHBondContact NH1-OE2 2.65Å; R11-E18 IonicContact NH2-OE1 2.66Å; R11-E18 PolarHBondContact NH2-OE1 3.32Å; L14-E18 HydrophobicContact CB-CB 4.36Å; L14-E18 HydrophobicContact CD2-CB 3.99Å; T15-E18 PolarHBondContact N-OE2 2.89Å; T15-E18 PolarHBondContact O-N 3.09Å; T15-E18 VanDerWaalsContact O-N 3.16Å; T15-E18 WeakPolarHBondContact OG1-CB 3.48Å; T15-E18 WeakPolarHBondContact OG1-CG 3.3Å; T15-E18 PolarHBondContact OG1-N 3.25Å; T15-E18 PolarHBondContact OG1-OE2 3.1Å; E18-T20 VanDerWaalsContact C-N 3.27Å; E18-T20 PolarHBondContact O-N 3.18Å; E18-N21 PolarHBondContact O-N 3.34Å; E18-N21 VanDerWaalsContact O-N 3.1Å; E18-W22 WeakPolarHBondContact O-CB 3.24Å; E18-W22 PolarHBondContact O-N 3.47Å |
| 19 | A | 78.3 | Confident | 73.4 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -37.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L14 T15 T23 | L14-A19 HydrophobicContact CB-CB 4.37Å; T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 3.18Å; A19-T23 WeakPolarHBondContact O-CG2 3.45Å; A19-T23 PolarHBondContact O-OG1 3.38Å |
| 20 | T | 70.3 | Confident | 72 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 177 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | S17 E18 T23 | S17-T20 PolarHBondContact O-OG1 3.45Å; E18-T20 VanDerWaalsContact C-N 3.27Å; E18-T20 PolarHBondContact O-N 3.18Å; T20-T23 PolarHBondContact O-OG1 3.39Å; T20-T23 VanDerWaalsContact O-OG1 3.04Å |
| 21 | N | 67.3 | Low | 71.2 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -81 | -35.6 | -179 | -63.4 | -13.1 | 0 | 0 | 0 | 111.6 | S17 E18 T23 Q24 D25 | S17-N21 PolarHBondContact O-ND2 3.38Å; E18-N21 PolarHBondContact O-N 3.34Å; E18-N21 VanDerWaalsContact O-N 3.1Å; N21-T23 VanDerWaalsContact C-N 3.3Å; N21-T23 PolarHBondContact O-N 3.07Å; N21-Q24 PolarHBondContact O-N 3.46Å; N21-D25 PolarHBondContact O-N 2.69Å |
| 22 | W | 69.2 | Low | 70.8 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | -179.1 | -163.9 | -86.1 | 0 | 0 | 0 | 112.5 | S4 V5 P8 L14 E18 Q24 I26 V27 L36 L40 | S4-W22 WeakPolarHBondContact O-CZ3 3.29Å; V5-W22 HydrophobicContact CB-CH2 4.1Å; V5-W22 HydrophobicContact CB-CZ3 4.49Å; V5-W22 HydrophobicContact CG1-CH2 3.75Å; V5-W22 HydrophobicContact CG1-CZ2 4.36Å; V5-W22 HydrophobicContact CG2-CH2 4.23Å; V5-W22 HydrophobicContact CG2-CZ3 4.41Å; P8-W22 HydrophobicContact CB-CH2 4.19Å; P8-W22 HydrophobicContact CB-CZ3 3.94Å; P8-W22 HydrophobicContact CG-CE3 4.38Å; P8-W22 HydrophobicContact CG-CH2 4.37Å; P8-W22 HydrophobicContact CG-CZ3 3.7Å; L14-W22 HydrophobicContact CD1-CB 4.19Å; L14-W22 HydrophobicContact CD1-CD2 4.25Å; L14-W22 HydrophobicContact CD1-CG 3.92Å; L14-W22 HydrophobicContact CD2-CB 4.31Å; L14-W22 HydrophobicContact CD2-CD2 3.65Å; L14-W22 HydrophobicContact CD2-CE3 3.48Å; L14-W22 VanDerWaalsContact CD2-CE3 3.48Å; L14-W22 HydrophobicContact CD2-CG 4.04Å; L14-W22 HydrophobicContact CD2-CZ3 3.96Å; E18-W22 WeakPolarHBondContact O-CB 3.24Å; E18-W22 PolarHBondContact O-N 3.47Å; W22-Q24 VanDerWaalsContact C-N 3.26Å; W22-Q24 PolarHBondContact O-N 3Å; W22-I26 HydrophobicContact CD2-CB 4.37Å; W22-I26 HydrophobicContact CD2-CD1 3.56Å; W22-I26 HydrophobicContact CE3-CD1 3.31Å; W22-I26 HydrophobicContact CG-CD1 4.26Å; W22-I26 HydrophobicContact CH2-CD1 4.05Å; W22-I26 HydrophobicContact CZ2-CD1 4.23Å; W22-I26 HydrophobicContact CZ2-CG2 4.11Å; W22-I26 HydrophobicContact CZ3-CD1 3.56Å; W22-I26 PolarHBondContact O-N 3.37Å; W22-V27 PolarHBondContact O-N 3.02Å; W22-L36 HydrophobicContact CZ2-CB 4.29Å; W22-L36 HydrophobicContact CZ2-CD1 4.45Å; W22-L40 HydrophobicContact CH2-CD1 4.35Å; W22-L40 HydrophobicContact CZ2-CD1 3.74Å |
| 23 | T | 60 | Low | 70.6 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.3 | -21.4 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | A19 T20 N21 | A19-T23 WeakPolarHBondContact O-CG2 3.45Å; A19-T23 PolarHBondContact O-OG1 3.38Å; T20-T23 PolarHBondContact O-OG1 3.39Å; T20-T23 VanDerWaalsContact O-OG1 3.04Å; N21-T23 VanDerWaalsContact C-N 3.3Å; N21-T23 PolarHBondContact O-N 3.07Å |
| 24 | Q | 57.4 | Low | 70.6 | Confident | 137 Ų | 137 | 61.5 Ų | 61.5 | 64% | 0.64 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -93.3 | -40 | -179.7 | -66 | -177.8 | -2.8 | 0 | 0 | 112.6 | N21 W22 T28 | N21-Q24 PolarHBondContact O-N 3.46Å; W22-Q24 VanDerWaalsContact C-N 3.26Å; W22-Q24 PolarHBondContact O-N 3Å; Q24-T28 WeakPolarHBondContact O-CG2 3.37Å |
| 25 | D | 58.1 | Low | 70.8 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -102.8 | -27.9 | -169.1 | -72.5 | -26.4 | 0 | 0 | 0 | 115.6 | N21 T28 | N21-D25 PolarHBondContact O-N 2.69Å; D25-T28 PolarHBondContact O-OG1 3.44Å |
| 26 | I | 57.1 | Low | 71 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -32.5 | -168.9 | -65.5 | 157.3 | 0 | 0 | 0 | 112.2 | V5 W22 T28 D29 L36 | V5-I26 HydrophobicContact CG2-CD1 3.72Å; V5-I26 HydrophobicContact CG2-CG1 4.22Å; W22-I26 HydrophobicContact CD2-CB 4.37Å; W22-I26 HydrophobicContact CD2-CD1 3.56Å; W22-I26 HydrophobicContact CE3-CD1 3.31Å; W22-I26 HydrophobicContact CG-CD1 4.26Å; W22-I26 HydrophobicContact CH2-CD1 4.05Å; W22-I26 HydrophobicContact CZ2-CD1 4.23Å; W22-I26 HydrophobicContact CZ2-CG2 4.11Å; W22-I26 HydrophobicContact CZ3-CD1 3.56Å; W22-I26 PolarHBondContact O-N 3.37Å; I26-T28 PolarHBondContact O-N 3.29Å; I26-D29 PolarHBondContact O-N 3.21Å; I26-L36 HydrophobicContact CG2-CD1 3.99Å |
| 27 | V | 53 | Low | 71.4 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.9 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | W22 D29 | W22-V27 PolarHBondContact O-N 3.02Å; V27-D29 VanDerWaalsContact C-N 3.25Å; V27-D29 PolarHBondContact O-N 3.37Å |
| 28 | T | 52.7 | Low | 72.1 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 69% | 0.687 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.5 | 177.5 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | Q24 D25 I26 | Q24-T28 WeakPolarHBondContact O-CG2 3.37Å; D25-T28 PolarHBondContact O-OG1 3.44Å; I26-T28 PolarHBondContact O-N 3.29Å |
| 29 | D | 62.6 | Low | 72.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | trans | -84.6 | 120.1 | 177 | -155.7 | -54.6 | 0 | 0 | 0 | 112.1 | I26 V27 E31 G33 N91 | I26-D29 PolarHBondContact O-N 3.21Å; V27-D29 VanDerWaalsContact C-N 3.25Å; V27-D29 PolarHBondContact O-N 3.37Å; D29-E31 VanDerWaalsContact C-N 3.3Å; D29-E31 PolarHBondContact O-N 3.03Å; D29-E31 PolarHBondContact OD1-N 3.35Å; D29-G33 PolarHBondContact O-N 3.42Å; D29-N91 PolarHBondContact OD1-ND2 2.98Å; D29-N91 VanDerWaalsContact OD1-ND2 3.09Å; D29-N91 PolarHBondContact OD2-ND2 3.36Å; D29-N91 PolarHBondContact OD2-OD1 3Å | ||
| 30 | A | 62.7 | Low | 73.2 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 31 | E | 73 | Confident | 74 | Confident | 71 Ų | 71 | 58 Ų | 58 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -53.2 | -175.5 | -72 | -169.2 | 163.4 | 0 | 0 | 113.2 | D29 | D29-E31 VanDerWaalsContact C-N 3.3Å; D29-E31 PolarHBondContact O-N 3.03Å; D29-E31 PolarHBondContact OD1-N 3.35Å |
| 32 | A | 81.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -28.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L35 L36 L94 V95 | A32-L35 PolarHBondContact O-N 3.06Å; A32-L36 HydrophobicContact CB-CD1 4.35Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 3.4Å; A32-L94 HydrophobicContact CB-CB 3.96Å; A32-V95 HydrophobicContact CB-CG2 4.12Å |
| 33 | G | 83.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.8 | -49.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D29 L35 L36 R37 | D29-G33 PolarHBondContact O-N 3.42Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.39Å; G33-L36 PolarHBondContact O-N 2.97Å; G33-R37 PolarHBondContact O-N 2.71Å |
| 34 | P | 87 | Confident | 77.7 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 178.7 | -24.1 | 34.3 | 0 | 0 | 0 | 113.5 | R37 A38 | P34-R37 PolarHBondContact O-N 3.3Å; P34-A38 PolarHBondContact O-N 2.97Å; P34-A38 VanDerWaalsContact O-N 3.07Å |
| 35 | L | 89.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.8 | -43.9 | -179.9 | -57.3 | -178.3 | 0 | 0 | 0 | 111.4 | A32 G33 R37 A38 L39 V47 S50 Q52 V95 A98 | A32-L35 PolarHBondContact O-N 3.06Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.39Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 3.15Å; L35-A38 PolarHBondContact O-N 3.45Å; L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.28Å; L35-L39 PolarHBondContact O-N 3.13Å; L35-V47 HydrophobicContact CB-CG1 4.27Å; L35-V47 HydrophobicContact CD2-CG1 4.29Å; L35-V47 WeakPolarHBondContact O-CG2 3.47Å; L35-S50 VanDerWaalsContact CD2-CB 3.44Å; L35-S50 VanDerWaalsContact CD2-OG 3.25Å; L35-S50 WeakPolarHBondContact CD2-OG 3.26Å; L35-Q52 HydrophobicContact CD1-CB 4.29Å; L35-V95 HydrophobicContact CD1-CB 4.32Å; L35-V95 HydrophobicContact CD1-CG1 3.83Å; L35-V95 HydrophobicContact CD1-CG2 4.05Å; L35-A98 HydrophobicContact CB-CB 4.24Å |
| 36 | L | 89.4 | Confident | 81 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 177.1 | -69 | 171.8 | 0 | 0 | 0 | 111.9 | V5 V9 W22 I26 A32 G33 L40 L94 A98 | V5-L36 HydrophobicContact CG1-CD1 3.74Å; V5-L36 HydrophobicContact CG1-CD2 4.08Å; V9-L36 HydrophobicContact CG2-CD2 4Å; W22-L36 HydrophobicContact CZ2-CB 4.29Å; W22-L36 HydrophobicContact CZ2-CD1 4.45Å; I26-L36 HydrophobicContact CG2-CD1 3.99Å; A32-L36 HydrophobicContact CB-CD1 4.35Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 3.4Å; G33-L36 PolarHBondContact O-N 2.97Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.12Å; L36-L40 VanDerWaalsContact O-N 3.1Å; L36-L94 HydrophobicContact CD1-CD1 4.45Å; L36-A98 HydrophobicContact CD2-CB 4.24Å |
| 37 | R | 88.8 | Confident | 82.6 | Confident | 133 Ų | 133 | 46.1 Ų | 46.1 | 50% | 0.502 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.8 | -52.5 | 174.5 | -170 | 177.9 | -159.3 | 149.2 | 7.1 | 111.7 | G33 P34 L35 L39 L40 D41 | G33-R37 PolarHBondContact O-N 2.71Å; P34-R37 PolarHBondContact O-N 3.3Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 3.15Å; R37-L39 PolarHBondContact O-N 3.37Å; R37-L40 PolarHBondContact O-N 3.4Å; R37-L40 VanDerWaalsContact O-N 3.15Å; R37-D41 WeakPolarHBondContact O-CB 3.47Å; R37-D41 VanDerWaalsContact O-CG 3.3Å; R37-D41 PolarHBondContact O-N 3.01Å |
| 38 | A | 91.1 | Very high | 84.4 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P34 L35 D41 G42 D43 A46 V47 | P34-A38 PolarHBondContact O-N 2.97Å; P34-A38 VanDerWaalsContact O-N 3.07Å; L35-A38 PolarHBondContact O-N 3.45Å; A38-D41 PolarHBondContact O-N 2.89Å; A38-G42 PolarHBondContact O-N 3.43Å; A38-D43 CarbonylContact O-C 3.59Å; A38-D43 PolarHBondContact O-N 3.47Å; A38-A46 HydrophobicContact CB-CB 4.31Å; A38-V47 HydrophobicContact CB-CG2 3.73Å |
| 39 | L | 91.9 | Very high | 86.2 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.2 | -176.9 | 152.4 | 0 | 0 | 0 | 112.7 | V9 L35 R37 G42 F44 V47 A98 V101 | V9-L39 HydrophobicContact CG1-CD2 4.19Å; V9-L39 HydrophobicContact CG2-CD2 4.4Å; L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.28Å; L35-L39 PolarHBondContact O-N 3.13Å; R37-L39 PolarHBondContact O-N 3.37Å; L39-G42 PolarHBondContact O-N 2.87Å; L39-F44 HydrophobicContact CG-CE1 4.49Å; L39-F44 WeakPolarHBondContact O-CE1 3.25Å; L39-V47 HydrophobicContact CB-CG2 4.13Å; L39-A98 HydrophobicContact CD1-CB 3.96Å; L39-V101 HydrophobicContact CD1-CB 3.81Å; L39-V101 HydrophobicContact CD1-CG1 3.67Å; L39-V101 HydrophobicContact CD2-CG1 4.22Å; L39-V101 HydrophobicContact CG-CG1 4.17Å |
| 40 | L | 89.4 | Confident | 87.6 | Confident | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.1 | -28.1 | 179.8 | -70.4 | 170.8 | 0 | 0 | 0 | 112.8 | L14 W22 L36 R37 G42 | L14-L40 HydrophobicContact CD1-CD1 3.99Å; L14-L40 HydrophobicContact CD2-CD1 4.21Å; L14-L40 HydrophobicContact CG-CD1 3.97Å; W22-L40 HydrophobicContact CH2-CD1 4.35Å; W22-L40 HydrophobicContact CZ2-CD1 3.74Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.12Å; L36-L40 VanDerWaalsContact O-N 3.1Å; R37-L40 PolarHBondContact O-N 3.4Å; R37-L40 VanDerWaalsContact O-N 3.15Å; L40-G42 PolarHBondContact O-N 3.31Å |
| 41 | D | 88.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 40 Ų | 40 | 60% | 0.604 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.3 | 172.1 | -67.2 | -24.2 | 0 | 0 | 0 | 112 | R37 A38 | R37-D41 WeakPolarHBondContact O-CB 3.47Å; R37-D41 VanDerWaalsContact O-CG 3.3Å; R37-D41 PolarHBondContact O-N 3.01Å; A38-D41 PolarHBondContact O-N 2.89Å |
| 42 | G | 88.8 | Confident | 89.5 | Confident | 18 Ų | 18 | 39 Ų | 39 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A38 L39 L40 F44 | A38-G42 PolarHBondContact O-N 3.43Å; L39-G42 PolarHBondContact O-N 2.87Å; L40-G42 PolarHBondContact O-N 3.31Å; G42-F44 PolarHBondContact O-N 2.97Å |
| 43 | D | 91.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | trans | -91.6 | 70.5 | 175.1 | -168.2 | -9.3 | 0 | 0 | 0 | 110.6 | A38 E45 A46 V47 | A38-D43 CarbonylContact O-C 3.59Å; A38-D43 PolarHBondContact O-N 3.47Å; D43-E45 PolarHBondContact O-N 3.23Å; D43-A46 HydrophobicContact CB-CB 4.24Å; D43-A46 PolarHBondContact O-N 3.16Å; D43-A46 WeakPolarHBondContact OD1-CB 3.39Å; D43-A46 PolarHBondContact OD1-N 3.34Å; D43-A46 WeakPolarHBondContact OD2-CB 3.41Å; D43-V47 PolarHBondContact O-N 3.34Å | ||
| 44 | F | 93.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 4% | 0.044 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -26.4 | -179.5 | -50.9 | -58 | 0 | 0 | 0 | 112.7 | L39 G42 V47 L48 H105 L106 V428 L432 | L39-F44 HydrophobicContact CG-CE1 4.49Å; L39-F44 WeakPolarHBondContact O-CE1 3.25Å; G42-F44 PolarHBondContact O-N 2.97Å; F44-V47 PolarHBondContact O-N 3.06Å; F44-L48 PolarHBondContact O-N 3.2Å; F44-H105 HydrophobicContact CD1-CB 4.05Å; F44-H105 HydrophobicContact CD2-CB 3.84Å; F44-H105 HydrophobicContact CE1-CB 3.87Å; F44-H105 AromaticContact CE1-CD2 3.68Å; F44-H105 AromaticContact CE1-CG 4Å; F44-H105 HydrophobicContact CE2-CB 3.65Å; F44-H105 HydrophobicContact CG-CB 4.04Å; F44-H105 HydrophobicContact CZ-CB 3.66Å; F44-H105 AromaticContact CZ-CD2 3.91Å; F44-H105 AromaticContact CZ-CG 3.84Å; F44-L106 HydrophobicContact CB-CD1 3.72Å; F44-L106 HydrophobicContact CB-CD2 3.9Å; F44-L106 HydrophobicContact CB-CG 3.46Å; F44-L106 VanDerWaalsContact CB-CG 3.46Å; F44-L106 HydrophobicContact CD2-CD2 4.45Å; F44-L106 HydrophobicContact CD2-CG 4.41Å; F44-L106 HydrophobicContact CG-CG 4.32Å; F44-V428 HydrophobicContact CE2-CG1 4.04Å; F44-L432 HydrophobicContact CE2-CD1 3.51Å; F44-L432 HydrophobicContact CZ-CD1 3.69Å |
| 45 | E | 92.2 | Very high | 89.8 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 178.2 | -177.2 | 171.1 | 177.6 | 0 | 0 | 110.5 | D43 V47 L48 L49 L119 | D43-E45 PolarHBondContact O-N 3.23Å; E45-V47 PolarHBondContact O-N 3.42Å; E45-L48 PolarHBondContact O-N 3.48Å; E45-L48 VanDerWaalsContact O-N 3.17Å; E45-L49 HydrophobicContact CG-CD1 3.62Å; E45-L49 HydrophobicContact CG-CG 4.08Å; E45-L49 WeakPolarHBondContact O-CB 3.42Å; E45-L49 WeakPolarHBondContact O-CG 3.44Å; E45-L49 PolarHBondContact O-N 3.05Å; E45-L119 HydrophobicContact CG-CD1 3.99Å |
| 46 | A | 91.6 | Very high | 89.7 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.4 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A38 D43 S50 | A38-A46 HydrophobicContact CB-CB 4.31Å; D43-A46 HydrophobicContact CB-CB 4.24Å; D43-A46 PolarHBondContact O-N 3.16Å; D43-A46 WeakPolarHBondContact OD1-CB 3.39Å; D43-A46 PolarHBondContact OD1-N 3.34Å; D43-A46 WeakPolarHBondContact OD2-CB 3.41Å; A46-S50 PolarHBondContact O-N 3.24Å |
| 47 | V | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -51.5 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L35 A38 L39 D43 F44 E45 L49 S50 V53 A98 S102 | L35-V47 HydrophobicContact CB-CG1 4.27Å; L35-V47 HydrophobicContact CD2-CG1 4.29Å; L35-V47 WeakPolarHBondContact O-CG2 3.47Å; A38-V47 HydrophobicContact CB-CG2 3.73Å; L39-V47 HydrophobicContact CB-CG2 4.13Å; D43-V47 PolarHBondContact O-N 3.34Å; F44-V47 PolarHBondContact O-N 3.06Å; E45-V47 PolarHBondContact O-N 3.42Å; V47-L49 PolarHBondContact O-N 3.07Å; V47-S50 VanDerWaalsContact O-CB 3.26Å; V47-S50 WeakPolarHBondContact O-CB 3.43Å; V47-S50 PolarHBondContact O-N 2.86Å; V47-S50 PolarHBondContact O-OG 3.38Å; V47-V53 VanDerWaalsContact O-CG2 3.22Å; V47-V53 WeakPolarHBondContact O-CG2 3.46Å; V47-A98 HydrophobicContact CG1-CB 4.33Å; V47-S102 WeakPolarHBondContact CB-OG 3.28Å; V47-S102 WeakPolarHBondContact CG1-OG 3.04Å |
| 48 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -29.4 | -176.3 | -65.1 | -169.8 | 0 | 0 | 0 | 113.5 | F44 E45 S50 V53 L106 L119 M121 L162 | F44-L48 PolarHBondContact O-N 3.2Å; E45-L48 PolarHBondContact O-N 3.48Å; E45-L48 VanDerWaalsContact O-N 3.17Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-V53 WeakPolarHBondContact O-CG1 3.37Å; L48-L106 HydrophobicContact CD1-CD1 3.45Å; L48-L106 VanDerWaalsContact CD1-CD1 3.45Å; L48-L106 HydrophobicContact CG-CD1 4.1Å; L48-L119 HydrophobicContact CD1-CD2 3.99Å; L48-M121 HydrophobicContact CB-CE 3.9Å; L48-M121 HydrophobicContact CB-SD 3.92Å; L48-L162 HydrophobicContact CD1-CD2 3.53Å |
| 49 | L | 90.4 | Very high | 88.9 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3 | 176.9 | -67.3 | -177.7 | 0 | 0 | 0 | 113.8 | E45 V47 L119 M121 | E45-L49 HydrophobicContact CG-CD1 3.62Å; E45-L49 HydrophobicContact CG-CG 4.08Å; E45-L49 WeakPolarHBondContact O-CB 3.42Å; E45-L49 WeakPolarHBondContact O-CG 3.44Å; E45-L49 PolarHBondContact O-N 3.05Å; V47-L49 PolarHBondContact O-N 3.07Å; L49-L119 HydrophobicContact CD1-CD1 4.3Å; L49-L119 HydrophobicContact CD2-CD1 3.85Å; L49-L119 HydrophobicContact CG-CD1 4.11Å; L49-M121 HydrophobicContact CD2-SD 4.47Å |
| 50 | S | 91.4 | Very high | 87.9 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -62.9 | 149.8 | -179.6 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | L35 A46 V47 L48 Q52 V53 A54 | L35-S50 VanDerWaalsContact CD2-CB 3.44Å; L35-S50 VanDerWaalsContact CD2-OG 3.25Å; L35-S50 WeakPolarHBondContact CD2-OG 3.26Å; A46-S50 PolarHBondContact O-N 3.24Å; V47-S50 VanDerWaalsContact O-CB 3.26Å; V47-S50 WeakPolarHBondContact O-CB 3.43Å; V47-S50 PolarHBondContact O-N 2.86Å; V47-S50 PolarHBondContact O-OG 3.38Å; L48-S50 VanDerWaalsContact C-N 3.3Å; S50-Q52 PolarHBondContact O-N 3.29Å; S50-V53 PolarHBondContact O-N 3.2Å; S50-V53 VanDerWaalsContact OG-CG2 3.26Å; S50-V53 WeakPolarHBondContact OG-CG2 3.11Å; S50-V53 PolarHBondContact OG-N 3.25Å; S50-A54 PolarHBondContact O-N 3.09Å |
| 51 | P | 87.4 | Confident | 86.9 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.2 | -29.4 | 178.8 | 24.7 | -32.9 | 0 | 0 | 0 | 112.4 | A54 N55 | P51-A54 PolarHBondContact O-N 2.93Å; P51-N55 WeakPolarHBondContact O-CB 3.38Å; P51-N55 PolarHBondContact O-N 3.5Å; P51-N55 PolarHBondContact O-ND2 3.09Å; P51-N55 PolarHBondContact O-OD1 3.45Å |
| 52 | Q | 87.1 | Confident | 86.2 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 175.3 | -64.8 | 82.8 | -7.8 | 0 | 0 | 110.7 | L35 S50 N55 V56 | L35-Q52 HydrophobicContact CD1-CB 4.29Å; S50-Q52 PolarHBondContact O-N 3.29Å; Q52-N55 PolarHBondContact O-N 2.87Å; Q52-V56 WeakPolarHBondContact O-CG2 3.4Å; Q52-V56 PolarHBondContact O-N 2.97Å; Q52-V56 VanDerWaalsContact O-N 3.11Å |
| 53 | V | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | V47 L48 S50 N55 V56 L57 M99 M121 | V47-V53 VanDerWaalsContact O-CG2 3.22Å; V47-V53 WeakPolarHBondContact O-CG2 3.46Å; L48-V53 WeakPolarHBondContact O-CG1 3.37Å; S50-V53 PolarHBondContact O-N 3.2Å; S50-V53 VanDerWaalsContact OG-CG2 3.26Å; S50-V53 WeakPolarHBondContact OG-CG2 3.11Å; S50-V53 PolarHBondContact OG-N 3.25Å; V53-N55 VanDerWaalsContact C-N 3.33Å; V53-N55 PolarHBondContact O-N 3.45Å; V53-V56 PolarHBondContact O-N 3.34Å; V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 3.17Å; V53-M99 HydrophobicContact CB-CG 4.35Å; V53-M99 HydrophobicContact CB-SD 4.3Å; V53-M99 HydrophobicContact CG1-CE 3.8Å; V53-M99 HydrophobicContact CG1-CG 4.13Å; V53-M99 HydrophobicContact CG1-SD 4.07Å; V53-M99 HydrophobicContact CG2-CG 3.38Å; V53-M99 HydrophobicContact CG2-SD 3.75Å; V53-M121 HydrophobicContact CG1-CE 4.46Å |
| 54 | A | 86.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S50 P51 V56 L57 T58 | S50-A54 PolarHBondContact O-N 3.09Å; P51-A54 PolarHBondContact O-N 2.93Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.46Å; A54-L57 PolarHBondContact O-N 3.33Å; A54-T58 WeakPolarHBondContact O-CG2 3.38Å; A54-T58 PolarHBondContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 3.07Å |
| 55 | N | 85.6 | Confident | 83.5 | Confident | 112 Ų | 112 | 55 Ų | 55 | 60% | 0.599 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 178 | -69.6 | -18.9 | 0 | 0 | 0 | 112.6 | P51 Q52 V53 T58 G59 | P51-N55 WeakPolarHBondContact O-CB 3.38Å; P51-N55 PolarHBondContact O-N 3.5Å; P51-N55 PolarHBondContact O-ND2 3.09Å; P51-N55 PolarHBondContact O-OD1 3.45Å; Q52-N55 PolarHBondContact O-N 2.87Å; V53-N55 VanDerWaalsContact C-N 3.33Å; V53-N55 PolarHBondContact O-N 3.45Å; N55-T58 WeakPolarHBondContact CA-OG1 3.35Å; N55-T58 PolarHBondContact O-OG1 3.39Å; N55-T58 VanDerWaalsContact O-OG1 3.11Å; N55-G59 PolarHBondContact O-N 3.43Å; N55-G59 VanDerWaalsContact O-N 3.08Å |
| 56 | V | 87.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.6 | 175 | 0 | 0 | 0 | 0 | 110.7 | Q52 V53 A54 G59 C76 L77 Y80 M99 | Q52-V56 WeakPolarHBondContact O-CG2 3.4Å; Q52-V56 PolarHBondContact O-N 2.97Å; Q52-V56 VanDerWaalsContact O-N 3.11Å; V53-V56 PolarHBondContact O-N 3.34Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.46Å; V56-G59 PolarHBondContact O-N 2.93Å; V56-C76 WeakPolarHBondContact O-CB 3.12Å; V56-L77 HydrophobicContact CG1-CD2 3.67Å; V56-L77 HydrophobicContact CG1-CG 4.48Å; V56-Y80 HydrophobicContact CG1-CG 4.43Å; V56-Y80 HydrophobicContact CG2-CD1 3.86Å; V56-Y80 HydrophobicContact CG2-CD2 3.74Å; V56-Y80 HydrophobicContact CG2-CE1 3.92Å; V56-Y80 HydrophobicContact CG2-CE2 3.82Å; V56-Y80 HydrophobicContact CG2-CG 3.76Å; V56-M99 HydrophobicContact CB-CE 4.48Å; V56-M99 HydrophobicContact CB-SD 4.38Å; V56-M99 HydrophobicContact CG1-CE 4.08Å; V56-M99 HydrophobicContact CG1-SD 4.24Å; V56-M99 HydrophobicContact CG2-SD 4.45Å |
| 57 | L | 86 | Confident | 81.6 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.2 | -31.5 | -177.5 | -66.7 | 177 | 0 | 0 | 0 | 113.3 | V53 A54 Y72 L73 M99 M121 L165 | V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 3.17Å; A54-L57 PolarHBondContact O-N 3.33Å; L57-Y72 WeakPolarHBondContact O-CE1 3.47Å; L57-Y72 PolarHBondContact O-OH 2.77Å; L57-L73 HydrophobicContact CD2-CD2 3.81Å; L57-M99 HydrophobicContact CD2-CE 4.33Å; L57-M99 HydrophobicContact CG-CE 4.5Å; L57-M121 HydrophobicContact CD1-CE 3.61Å; L57-L165 HydrophobicContact CD2-CD1 3.98Å; L57-L165 HydrophobicContact CD2-CD2 4.11Å |
| 58 | T | 84 | Confident | 81 | Confident | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -74.4 | -30.2 | 174.2 | 53 | 0 | 0 | 0 | 0 | 112.5 | A54 N55 D60 G61 Y72 R124 | A54-T58 WeakPolarHBondContact O-CG2 3.38Å; A54-T58 PolarHBondContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 3.07Å; N55-T58 WeakPolarHBondContact CA-OG1 3.35Å; N55-T58 PolarHBondContact O-OG1 3.39Å; N55-T58 VanDerWaalsContact O-OG1 3.11Å; T58-D60 PolarHBondContact O-N 2.84Å; T58-G61 PolarHBondContact O-N 3.31Å; T58-Y72 PolarHBondContact O-OH 3.4Å; T58-R124 VanDerWaalsContact CG2-O 3.28Å; T58-R124 WeakPolarHBondContact CG2-O 3.3Å |
| 59 | G | 80.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -133.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N55 V56 G61 | N55-G59 PolarHBondContact O-N 3.43Å; N55-G59 VanDerWaalsContact O-N 3.08Å; V56-G59 PolarHBondContact O-N 2.93Å; G59-G61 VanDerWaalsContact C-N 3.27Å |
| 60 | D | 71.9 | Confident | 80.5 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2.4 | 175.3 | 65.2 | -18.4 | 0 | 0 | 0 | 113.6 | T58 S62 R75 | T58-D60 PolarHBondContact O-N 2.84Å; D60-S62 PolarHBondContact O-N 3.43Å; D60-S62 VanDerWaalsContact O-N 3.13Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.11Å; D60-S62 VanDerWaalsContact OD1-OG 3.07Å; D60-S62 WeakPolarHBondContact OD2-CB 3.48Å; D60-S62 PolarHBondContact OD2-OG 2.95Å; D60-R75 IonicContact OD1-NH1 3.59Å; D60-R75 PolarHBondContact OD1-NH1 3.06Å; D60-R75 IonicContact OD2-NH1 2.86Å |
| 61 | G | 68.1 | Low | 80.3 | Confident | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 67.5 | 3.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T58 G59 | T58-G61 PolarHBondContact O-N 3.31Å; G59-G61 VanDerWaalsContact C-N 3.27Å |
| 62 | S | 74.2 | Confident | 80.4 | Confident | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | trans | -88.2 | 141.7 | 177.7 | 82.6 | 0 | 0 | 0 | 0 | 110.3 | D60 R75 | D60-S62 PolarHBondContact O-N 3.43Å; D60-S62 VanDerWaalsContact O-N 3.13Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.11Å; D60-S62 VanDerWaalsContact OD1-OG 3.07Å; D60-S62 WeakPolarHBondContact OD2-CB 3.48Å; D60-S62 PolarHBondContact OD2-OG 2.95Å; S62-R75 PolarHBondContact O-NH2 3.4Å | ||
| 63 | C | 71.1 | Confident | 80.5 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | trans | -125.5 | 128.7 | 172.4 | -56.8 | 0 | 0 | 0 | 0 | 108.1 | V128 L129 | C63-V128 HydrophobicContact CB-CB 4.33Å; C63-V128 HydrophobicContact CB-CG1 3.97Å; C63-L129 HydrophobicContact CB-CG 4.31Å; C63-L129 VanDerWaalsContact SG-CD1 3.57Å; C63-L129 VanDerWaalsContact SG-CG 3.51Å | ||
| 64 | R | 77.2 | Confident | 80.7 | Confident | 172 Ų | 172 | 56.4 Ų | 56.4 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | trans | -79.4 | 147 | 178.3 | -60.6 | 175.3 | 176.6 | -176.7 | -0.1 | 109.8 | G66 E67 | R64-G66 PolarHBondContact O-N 3.29Å; R64-E67 HydrophobicContact CB-CB 4.07Å; R64-E67 PolarHBondContact N-OE2 3.02Å; R64-E67 VanDerWaalsContact O-CB 3.29Å; R64-E67 WeakPolarHBondContact O-CB 3.15Å; R64-E67 PolarHBondContact O-N 3.25Å; R64-E67 VanDerWaalsContact O-N 3.1Å | ||
| 65 | E | 67.4 | Low | 80.9 | Confident | 207 Ų | 207 | 57 Ų | 57 | 97% | 0.967 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 122.3 | 176.3 | -72.4 | -175.4 | 170.6 | 0 | 0 | 110.4 | E67 | E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 2.89Å |
| 66 | G | 67.3 | Low | 81.1 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 91% | 0.907 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R64 D68 | R64-G66 PolarHBondContact O-N 3.29Å; G66-D68 PolarHBondContact O-N 3.19Å |
| 67 | E | 78.1 | Confident | 81.3 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | trans | -66.6 | 124.1 | 175 | -164.5 | 168.5 | -141.5 | 0 | 0 | 110.5 | R64 E65 A71 R75 | R64-E67 HydrophobicContact CB-CB 4.07Å; R64-E67 PolarHBondContact N-OE2 3.02Å; R64-E67 VanDerWaalsContact O-CB 3.29Å; R64-E67 WeakPolarHBondContact O-CB 3.15Å; R64-E67 PolarHBondContact O-N 3.25Å; R64-E67 VanDerWaalsContact O-N 3.1Å; E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 2.89Å; E67-A71 HydrophobicContact CG-CB 4.04Å; E67-R75 IonicContact OE1-CZ 2.85Å; E67-R75 IonicContact OE1-NE 2.95Å; E67-R75 PolarHBondContact OE1-NE 3.27Å; E67-R75 IonicContact OE1-NH2 4Å; E67-R75 IonicContact OE2-CZ 3.65Å; E67-R75 IonicContact OE2-NE 3.68Å; E67-R75 IonicContact OE2-NH2 2.77Å; E67-R75 PolarHBondContact OE2-NH2 3.38Å | ||
| 68 | D | 79.3 | Confident | 81.5 | Confident | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | trans | -78 | 166 | 173.6 | 74.2 | 27.7 | 0 | 0 | 0 | 111.6 | G66 E70 A71 Y72 | G66-D68 PolarHBondContact O-N 3.19Å; D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 2.97Å; D68-E70 PolarHBondContact OD1-N 3.48Å; D68-E70 VanDerWaalsContact OD1-N 3.12Å; D68-A71 PolarHBondContact O-N 3.07Å; D68-A71 WeakPolarHBondContact OD1-CB 3.46Å; D68-A71 PolarHBondContact OD1-N 3.4Å; D68-Y72 WeakPolarHBondContact O-CB 3.2Å; D68-Y72 PolarHBondContact O-N 2.84Å | ||
| 69 | M | 83.1 | Confident | 81.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -36 | -176.6 | -67.9 | -174.8 | -65 | 0 | 0 | 112.5 | L73 W122 L138 A141 | M69-L73 VanDerWaalsContact O-CG 3.24Å; M69-L73 WeakPolarHBondContact O-CG 3.23Å; M69-L73 PolarHBondContact O-N 3.27Å; M69-L73 VanDerWaalsContact O-N 3.11Å; M69-W122 HydrophobicContact CE-CH2 4.35Å; M69-W122 HydrophobicContact SD-CH2 3.95Å; M69-W122 HydrophobicContact SD-CZ3 3.54Å; M69-W122 VanDerWaalsContact SD-CZ3 3.54Å; M69-L138 HydrophobicContact SD-CD2 4.3Å; M69-A141 HydrophobicContact CE-CB 3.56Å |
| 70 | E | 87.8 | Confident | 82.2 | Confident | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70 | -44.1 | 179.7 | -73.7 | -166.2 | -175.8 | 0 | 0 | 111.7 | D68 Y72 L73 E74 L164 R167 V168 K172 | D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 2.97Å; D68-E70 PolarHBondContact OD1-N 3.48Å; D68-E70 VanDerWaalsContact OD1-N 3.12Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-L73 PolarHBondContact O-N 3.16Å; E70-E74 VanDerWaalsContact O-CB 3.29Å; E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 2.66Å; E70-L164 HydrophobicContact CG-CD1 3.53Å; E70-L164 HydrophobicContact CG-CD2 4.28Å; E70-L164 HydrophobicContact CG-CG 4.17Å; E70-L164 WeakPolarHBondContact OE1-CD1 3.22Å; E70-R167 IonicContact OE1-CZ 3.52Å; E70-R167 IonicContact OE1-NH1 3.73Å; E70-R167 PolarHBondContact OE1-NH1 3.08Å; E70-R167 IonicContact OE2-NH1 2.65Å; E70-V168 HydrophobicContact CB-CG2 4.29Å; E70-V168 HydrophobicContact CG-CG2 4.28Å; E70-K172 WeakPolarHBondContact OE2-CE 3.25Å; E70-K172 IonicContact OE2-NZ 2.92Å; E70-K172 PolarHBondContact OE2-NZ 3.34Å |
| 71 | A | 88.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E67 D68 R75 | E67-A71 HydrophobicContact CG-CB 4.04Å; D68-A71 PolarHBondContact O-N 3.07Å; D68-A71 WeakPolarHBondContact OD1-CB 3.46Å; D68-A71 PolarHBondContact OD1-N 3.4Å; A71-R75 WeakPolarHBondContact O-CB 3.12Å; A71-R75 PolarHBondContact O-N 2.9Å |
| 72 | Y | 88.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -51.8 | 173.1 | 174.4 | -97.5 | 0 | 0 | 0 | 111.5 | L57 T58 D68 E70 E74 R75 C76 L125 P126 L129 | L57-Y72 WeakPolarHBondContact O-CE1 3.47Å; L57-Y72 PolarHBondContact O-OH 2.77Å; T58-Y72 PolarHBondContact O-OH 3.4Å; D68-Y72 WeakPolarHBondContact O-CB 3.2Å; D68-Y72 PolarHBondContact O-N 2.84Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 3.38Å; Y72-R75 VanDerWaalsContact CD2-NH2 3.32Å; Y72-R75 PolarHBondContact O-N 3.17Å; Y72-C76 PolarHBondContact O-N 3.15Å; Y72-C76 PolarHBondContact O-SG 3.48Å; Y72-C76 PolarHBondContact OH-SG 3.43Å; Y72-L125 HydrophobicContact CD1-CD2 4.28Å; Y72-L125 HydrophobicContact CE1-CD2 3.82Å; Y72-P126 HydrophobicContact CE2-CG 4.24Å; Y72-P126 WeakPolarHBondContact OH-CD 3.45Å; Y72-P126 WeakPolarHBondContact OH-CG 3.42Å; Y72-L129 HydrophobicContact CD1-CD1 3.46Å; Y72-L129 VanDerWaalsContact CD1-CD1 3.46Å; Y72-L129 HydrophobicContact CD2-CD1 3.51Å; Y72-L129 HydrophobicContact CE1-CD1 3.59Å; Y72-L129 HydrophobicContact CE2-CD1 3.63Å; Y72-L129 HydrophobicContact CG-CD1 3.42Å; Y72-L129 VanDerWaalsContact CG-CD1 3.42Å; Y72-L129 HydrophobicContact CG-CD2 4.34Å |
| 73 | L | 89.8 | Confident | 84 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 179.4 | -71.6 | 174.4 | 0 | 0 | 0 | 111.5 | L57 M69 E70 R75 C76 L77 L125 F161 L165 V168 | L57-L73 HydrophobicContact CD2-CD2 3.81Å; M69-L73 VanDerWaalsContact O-CG 3.24Å; M69-L73 WeakPolarHBondContact O-CG 3.23Å; M69-L73 PolarHBondContact O-N 3.27Å; M69-L73 VanDerWaalsContact O-N 3.11Å; E70-L73 PolarHBondContact O-N 3.16Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 2.92Å; L73-C76 PolarHBondContact O-N 3.19Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.23Å; L73-L125 HydrophobicContact CD2-CD2 4.06Å; L73-F161 HydrophobicContact CD1-CE2 3.92Å; L73-F161 HydrophobicContact CD1-CZ 4.17Å; L73-F161 HydrophobicContact CD2-CZ 4.33Å; L73-L165 HydrophobicContact CD1-CD1 4.23Å; L73-L165 HydrophobicContact CD2-CD1 4.16Å; L73-V168 HydrophobicContact CB-CG1 4.1Å; L73-V168 HydrophobicContact CB-CG2 4.3Å; L73-V168 HydrophobicContact CD1-CG2 4.47Å |
| 74 | E | 92.1 | Very high | 83.4 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.4 | -179.4 | 179.7 | -176.5 | 0 | 0 | 110.7 | E70 Y72 L77 L78 V168 K172 | E70-E74 VanDerWaalsContact O-CB 3.29Å; E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 2.66Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 3.38Å; E74-L77 PolarHBondContact O-N 2.94Å; E74-L78 HydrophobicContact CG-CD1 3.85Å; E74-L78 HydrophobicContact CG-CG 4.39Å; E74-L78 WeakPolarHBondContact O-CB 3.38Å; E74-L78 WeakPolarHBondContact O-CG 3.26Å; E74-L78 PolarHBondContact O-N 2.88Å; E74-V168 HydrophobicContact CB-CG1 3.86Å; E74-K172 HydrophobicContact CB-CD 4.48Å; E74-K172 HydrophobicContact CG-CB 4.13Å; E74-K172 HydrophobicContact CG-CD 4.37Å; E74-K172 VanDerWaalsContact OE2-CD 3.27Å; E74-K172 WeakPolarHBondContact OE2-CD 3.48Å; E74-K172 IonicContact OE2-NZ 2.68Å |
| 75 | R | 91 | Very high | 82.4 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 177.8 | 179.5 | 174.9 | 59.2 | 82.8 | -5.4 | 112 | D60 S62 E67 A71 Y72 L73 L77 L78 L79 | D60-R75 IonicContact OD1-NH1 3.59Å; D60-R75 PolarHBondContact OD1-NH1 3.06Å; D60-R75 IonicContact OD2-NH1 2.86Å; S62-R75 PolarHBondContact O-NH2 3.4Å; E67-R75 IonicContact OE1-CZ 2.85Å; E67-R75 IonicContact OE1-NE 2.95Å; E67-R75 PolarHBondContact OE1-NE 3.27Å; E67-R75 IonicContact OE1-NH2 4Å; E67-R75 IonicContact OE2-CZ 3.65Å; E67-R75 IonicContact OE2-NE 3.68Å; E67-R75 IonicContact OE2-NH2 2.77Å; E67-R75 PolarHBondContact OE2-NH2 3.38Å; A71-R75 WeakPolarHBondContact O-CB 3.12Å; A71-R75 PolarHBondContact O-N 2.9Å; Y72-R75 VanDerWaalsContact CD2-NH2 3.32Å; Y72-R75 PolarHBondContact O-N 3.17Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 2.92Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.4Å; R75-L78 PolarHBondContact O-N 3.31Å; R75-L79 HydrophobicContact CG-CD1 3.95Å; R75-L79 HydrophobicContact CG-CG 4.38Å; R75-L79 WeakPolarHBondContact O-CB 3.44Å; R75-L79 VanDerWaalsContact O-CG 3.3Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 2.68Å |
| 76 | C | 89.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 179.6 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | V56 Y72 L73 L79 Y80 | V56-C76 WeakPolarHBondContact O-CB 3.12Å; Y72-C76 PolarHBondContact O-N 3.15Å; Y72-C76 PolarHBondContact O-SG 3.48Å; Y72-C76 PolarHBondContact OH-SG 3.43Å; L73-C76 PolarHBondContact O-N 3.19Å; C76-L79 PolarHBondContact O-N 3.06Å; C76-Y80 PolarHBondContact O-N 3.08Å |
| 77 | L | 91.4 | Very high | 81 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 178 | -73.5 | 163.2 | 0 | 0 | 0 | 111.9 | V56 L73 E74 R75 L79 Y80 L81 V96 M99 L165 V168 I169 | V56-L77 HydrophobicContact CG1-CD2 3.67Å; V56-L77 HydrophobicContact CG1-CG 4.48Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.23Å; E74-L77 PolarHBondContact O-N 2.94Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.4Å; L77-L79 PolarHBondContact O-N 2.86Å; L77-Y80 PolarHBondContact O-N 3.21Å; L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 VanDerWaalsContact O-CG 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.89Å; L77-V96 HydrophobicContact CD2-CG1 4.33Å; L77-V96 HydrophobicContact CD2-CG2 4.22Å; L77-M99 HydrophobicContact CD2-CE 4.4Å; L77-L165 HydrophobicContact CD1-CD1 4.36Å; L77-V168 HydrophobicContact CD1-CB 4.45Å; L77-V168 HydrophobicContact CD1-CG1 3.73Å; L77-I169 HydrophobicContact CD1-CG1 3.52Å; L77-I169 HydrophobicContact CD2-CG1 4.1Å; L77-I169 HydrophobicContact CG-CG1 4.48Å |
| 78 | L | 90.9 | Very high | 80.2 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 177.2 | -71.4 | 174.9 | 0 | 0 | 0 | 112 | E74 R75 L81 T82 K176 | E74-L78 HydrophobicContact CG-CD1 3.85Å; E74-L78 HydrophobicContact CG-CG 4.39Å; E74-L78 WeakPolarHBondContact O-CB 3.38Å; E74-L78 WeakPolarHBondContact O-CG 3.26Å; E74-L78 PolarHBondContact O-N 2.88Å; R75-L78 PolarHBondContact O-N 3.31Å; L78-L81 PolarHBondContact O-N 3.13Å; L78-T82 WeakPolarHBondContact O-CB 3.2Å; L78-T82 WeakPolarHBondContact O-CG2 3.36Å; L78-T82 PolarHBondContact O-N 2.98Å; L78-T82 PolarHBondContact O-OG1 3.26Å; L78-K176 HydrophobicContact CD2-CB 4.48Å; L78-K176 HydrophobicContact CD2-CG 3.62Å |
| 79 | L | 89.3 | Confident | 79.3 | Confident | 81 Ų | 81 | 54 Ų | 54 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.9 | -74.6 | 171.9 | 0 | 0 | 0 | 111.2 | R75 C76 L77 T82 A83 | R75-L79 HydrophobicContact CG-CD1 3.95Å; R75-L79 HydrophobicContact CG-CG 4.38Å; R75-L79 WeakPolarHBondContact O-CB 3.44Å; R75-L79 VanDerWaalsContact O-CG 3.3Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 2.68Å; C76-L79 PolarHBondContact O-N 3.06Å; L77-L79 PolarHBondContact O-N 2.86Å; L79-T82 PolarHBondContact O-N 2.93Å; L79-T82 PolarHBondContact O-OG1 3.11Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.84Å |
| 80 | Y | 88.9 | Confident | 78.5 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.3 | 179.4 | -106 | 0 | 0 | 0 | 112.3 | V56 C76 L77 T82 R92 V95 V96 | V56-Y80 HydrophobicContact CG1-CG 4.43Å; V56-Y80 HydrophobicContact CG2-CD1 3.86Å; V56-Y80 HydrophobicContact CG2-CD2 3.74Å; V56-Y80 HydrophobicContact CG2-CE1 3.92Å; V56-Y80 HydrophobicContact CG2-CE2 3.82Å; V56-Y80 HydrophobicContact CG2-CG 3.76Å; C76-Y80 PolarHBondContact O-N 3.08Å; L77-Y80 PolarHBondContact O-N 3.21Å; Y80-T82 VanDerWaalsContact C-N 3.28Å; Y80-T82 PolarHBondContact O-N 3.38Å; Y80-R92 HydrophobicContact CD1-CB 4.26Å; Y80-R92 HydrophobicContact CE1-CB 3.6Å; Y80-R92 HydrophobicContact CE1-CG 3.94Å; Y80-R92 HydrophobicContact CE2-CG 4.46Å; Y80-R92 VanDerWaalsContact O-CD 3.23Å; Y80-R92 WeakPolarHBondContact O-CD 3.36Å; Y80-R92 PolarHBondContact O-NH1 2.98Å; Y80-V95 HydrophobicContact CE1-CB 4.41Å; Y80-V95 HydrophobicContact CE1-CG1 4.38Å; Y80-V96 HydrophobicContact CD1-CG2 3.93Å; Y80-V96 HydrophobicContact CE1-CG2 4.05Å |
| 81 | L | 87.6 | Confident | 78 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -29.5 | 178.6 | -72.1 | 170.7 | 0 | 0 | 0 | 112.9 | L77 L78 E93 V96 C173 K176 M177 | L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 VanDerWaalsContact O-CG 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.89Å; L78-L81 PolarHBondContact O-N 3.13Å; L81-E93 HydrophobicContact CD2-CG 4.3Å; L81-V96 HydrophobicContact CD2-CB 4.5Å; L81-V96 HydrophobicContact CD2-CG2 4.01Å; L81-V96 HydrophobicContact CG-CG2 4.4Å; L81-C173 HydrophobicContact CD1-CB 4.24Å; L81-K176 HydrophobicContact CD1-CB 4.06Å; L81-M177 HydrophobicContact CD1-CG 4.11Å; L81-M177 HydrophobicContact CD1-SD 4.43Å; L81-M177 HydrophobicContact CD2-CG 4.21Å |
| 82 | T | 84.9 | Confident | 78 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -101.3 | -11.1 | -175.9 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | L78 L79 Y80 H84 | L78-T82 WeakPolarHBondContact O-CB 3.2Å; L78-T82 WeakPolarHBondContact O-CG2 3.36Å; L78-T82 PolarHBondContact O-N 2.98Å; L78-T82 PolarHBondContact O-OG1 3.26Å; L79-T82 PolarHBondContact O-N 2.93Å; L79-T82 PolarHBondContact O-OG1 3.11Å; Y80-T82 VanDerWaalsContact C-N 3.28Å; Y80-T82 PolarHBondContact O-N 3.38Å; T82-H84 PolarHBondContact O-CE1 3.1Å; T82-H84 VanDerWaalsContact O-CE1 3.28Å; T82-H84 PolarHBondContact O-N 3.23Å; T82-H84 PolarHBondContact O-ND1 3.43Å |
| 83 | A | 80.1 | Confident | 78 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | trans | -57.6 | 134.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L79 G85 R92 | L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.84Å; A83-G85 PolarHBondContact O-N 3.32Å; A83-R92 PolarHBondContact O-NH1 3.05Å; A83-R92 PolarHBondContact O-NH2 3.27Å; A83-R92 VanDerWaalsContact O-NH2 3.15Å | ||
| 84 | H | 58.1 | Low | 78 | Confident | 197 Ų | 197 | 56 Ų | 56 | 91% | 0.912 | 31% | 0.308 | S | S | * | . | trans | -91.9 | 94 | 178.3 | -62 | 9.1 | 0 | 0 | 0 | 108.1 | T82 | T82-H84 PolarHBondContact O-CE1 3.1Å; T82-H84 VanDerWaalsContact O-CE1 3.28Å; T82-H84 PolarHBondContact O-N 3.23Å; T82-H84 PolarHBondContact O-ND1 3.43Å | ||
| 85 | G | 57 | Low | 77.9 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -140.3 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A83 G87 | A83-G85 PolarHBondContact O-N 3.32Å; G85-G87 PolarHBondContact O-N 3.43Å |
| 86 | D | 48.8 | Very low | 78 | Confident | 186 Ų | 186 | 52 Ų | 52 | 100% | 0.995 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -60.1 | -5.6 | -171.3 | -80.8 | -21.8 | 0 | 0 | 0 | 116.3 | ||
| 87 | G | 55.5 | Low | 78.2 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -82.1 | 141.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G85 | G85-G87 PolarHBondContact O-N 3.43Š|
| 88 | Q | 61.9 | Low | 78.4 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | trans | -63.7 | 134.9 | 176 | -66.1 | -168 | 6.6 | 0 | 0 | 110.7 | N90 N91 | Q88-N90 PolarHBondContact O-N 3.46Å; Q88-N90 VanDerWaalsContact O-N 3.11Å; Q88-N91 WeakPolarHBondContact O-CB 3.24Å; Q88-N91 PolarHBondContact O-N 3.11Å | ||
| 89 | P | 60.8 | Low | 78.5 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -25.4 | -175.5 | 26.5 | -36.3 | 0 | 0 | 0 | 113.2 | N91 R92 E93 | P89-N91 VanDerWaalsContact C-N 3.27Å; P89-N91 PolarHBondContact O-N 3.3Å; P89-R92 PolarHBondContact O-N 3.05Å; P89-E93 PolarHBondContact O-N 2.79Å |
| 90 | N | 65.7 | Low | 78.9 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -33.1 | 174.9 | -66.3 | -12.7 | 0 | 0 | 0 | 112.8 | L2 Q88 R92 L94 R179 | L2-N90 HydrophobicContact CD2-CB 4.09Å; Q88-N90 PolarHBondContact O-N 3.46Å; Q88-N90 VanDerWaalsContact O-N 3.11Å; N90-R92 VanDerWaalsContact C-N 3.35Å; N90-L94 WeakPolarHBondContact O-CG 3.07Å; N90-L94 PolarHBondContact O-N 3.15Å; N90-R179 WeakPolarHBondContact OD1-CD 3.36Å; N90-R179 PolarHBondContact OD1-NH1 2.91Å |
| 91 | N | 78.6 | Confident | 79.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -34.6 | -175.4 | -63.4 | -6.6 | 0 | 0 | 0 | 111.3 | D29 Q88 P89 L94 V95 | D29-N91 PolarHBondContact OD1-ND2 2.98Å; D29-N91 VanDerWaalsContact OD1-ND2 3.09Å; D29-N91 PolarHBondContact OD2-ND2 3.36Å; D29-N91 PolarHBondContact OD2-OD1 3Å; Q88-N91 WeakPolarHBondContact O-CB 3.24Å; Q88-N91 PolarHBondContact O-N 3.11Å; P89-N91 VanDerWaalsContact C-N 3.27Å; P89-N91 PolarHBondContact O-N 3.3Å; N91-L94 PolarHBondContact O-N 3.5Å; N91-V95 WeakPolarHBondContact O-CG2 3.13Å; N91-V95 PolarHBondContact O-N 2.7Å |
| 92 | R | 86.4 | Confident | 79.7 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.6 | -40.3 | 179 | -59 | -164.4 | -167.3 | 154.4 | 8.6 | 112.5 | Y80 A83 P89 N90 L94 V95 V96 | Y80-R92 HydrophobicContact CD1-CB 4.26Å; Y80-R92 HydrophobicContact CE1-CB 3.6Å; Y80-R92 HydrophobicContact CE1-CG 3.94Å; Y80-R92 HydrophobicContact CE2-CG 4.46Å; Y80-R92 VanDerWaalsContact O-CD 3.23Å; Y80-R92 WeakPolarHBondContact O-CD 3.36Å; Y80-R92 PolarHBondContact O-NH1 2.98Å; A83-R92 PolarHBondContact O-NH1 3.05Å; A83-R92 PolarHBondContact O-NH2 3.27Å; A83-R92 VanDerWaalsContact O-NH2 3.15Å; P89-R92 PolarHBondContact O-N 3.05Å; N90-R92 VanDerWaalsContact C-N 3.35Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.25Å; R92-V95 PolarHBondContact O-N 2.77Å; R92-V96 WeakPolarHBondContact O-CG2 3.43Å; R92-V96 PolarHBondContact O-N 3.16Å |
| 93 | E | 89.5 | Confident | 80.2 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 172.8 | -65.2 | 177.8 | -133.5 | 0 | 0 | 110.6 | L81 P89 V96 L97 M177 R179 L180 | L81-E93 HydrophobicContact CD2-CG 4.3Å; P89-E93 PolarHBondContact O-N 2.79Å; E93-V96 PolarHBondContact O-N 3.33Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 PolarHBondContact O-N 3.37Å; E93-M177 HydrophobicContact CG-CG 4.3Å; E93-R179 WeakPolarHBondContact OE1-CD 3.37Å; E93-R179 IonicContact OE1-CZ 3.57Å; E93-R179 IonicContact OE1-NE 3.75Å; E93-R179 IonicContact OE1-NH1 3.09Å; E93-R179 PolarHBondContact OE1-NH1 2.92Å; E93-R179 WeakPolarHBondContact OE2-CB 3.43Å; E93-L180 HydrophobicContact CB-CD1 4.23Å; E93-L180 HydrophobicContact CB-CG 4.38Å |
| 94 | L | 89.4 | Confident | 81 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | 176.3 | -70.4 | 177.3 | 0 | 0 | 0 | 113.9 | L2 V5 A32 L36 N90 N91 R92 L97 A98 L180 | L2-L94 HydrophobicContact CD2-CD1 3.7Å; L2-L94 HydrophobicContact CD2-CD2 3.79Å; L2-L94 HydrophobicContact CD2-CG 3.63Å; V5-L94 HydrophobicContact CB-CD2 4.11Å; V5-L94 HydrophobicContact CG1-CD1 4.43Å; V5-L94 HydrophobicContact CG1-CD2 3.68Å; V5-L94 HydrophobicContact CG2-CD1 4.39Å; A32-L94 HydrophobicContact CB-CB 3.96Å; L36-L94 HydrophobicContact CD1-CD1 4.45Å; N90-L94 WeakPolarHBondContact O-CG 3.07Å; N90-L94 PolarHBondContact O-N 3.15Å; N91-L94 PolarHBondContact O-N 3.5Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.25Å; L94-L97 HydrophobicContact CD2-CD2 4.26Å; L94-L97 PolarHBondContact O-N 2.94Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.46Å; L94-L180 HydrophobicContact CD2-CD2 4.28Å |
| 95 | V | 90.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 172.7 | 171 | 0 | 0 | 0 | 0 | 110.1 | A32 L35 Y80 N91 R92 L97 A98 M99 | A32-V95 HydrophobicContact CB-CG2 4.12Å; L35-V95 HydrophobicContact CD1-CB 4.32Å; L35-V95 HydrophobicContact CD1-CG1 3.83Å; L35-V95 HydrophobicContact CD1-CG2 4.05Å; Y80-V95 HydrophobicContact CE1-CB 4.41Å; Y80-V95 HydrophobicContact CE1-CG1 4.38Å; N91-V95 WeakPolarHBondContact O-CG2 3.13Å; N91-V95 PolarHBondContact O-N 2.7Å; R92-V95 PolarHBondContact O-N 2.77Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.56Å; V95-A98 PolarHBondContact O-N 2.68Å; V95-M99 HydrophobicContact CG1-SD 4.24Å; V95-M99 VanDerWaalsContact O-CG 3.32Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 3.14Å |
| 96 | V | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 179.7 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | L77 Y80 L81 R92 E93 M99 A100 I169 M177 | L77-V96 HydrophobicContact CD2-CG1 4.33Å; L77-V96 HydrophobicContact CD2-CG2 4.22Å; Y80-V96 HydrophobicContact CD1-CG2 3.93Å; Y80-V96 HydrophobicContact CE1-CG2 4.05Å; L81-V96 HydrophobicContact CD2-CB 4.5Å; L81-V96 HydrophobicContact CD2-CG2 4.01Å; L81-V96 HydrophobicContact CG-CG2 4.4Å; R92-V96 WeakPolarHBondContact O-CG2 3.43Å; R92-V96 PolarHBondContact O-N 3.16Å; E93-V96 PolarHBondContact O-N 3.33Å; V96-M99 WeakPolarHBondContact O-CB 3.35Å; V96-M99 PolarHBondContact O-N 2.87Å; V96-A100 PolarHBondContact O-N 3.18Å; V96-I169 HydrophobicContact CG1-CB 4.4Å; V96-I169 HydrophobicContact CG1-CG1 4.25Å; V96-I169 HydrophobicContact CG1-CG2 3.33Å; V96-M177 HydrophobicContact CB-SD 4.19Å; V96-M177 HydrophobicContact CG1-CE 4.22Å; V96-M177 HydrophobicContact CG1-SD 3.63Å |
| 97 | L | 93.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 170.9 | 178.1 | 65.7 | 0 | 0 | 0 | 111.3 | E6 E93 L94 V95 M99 A100 V101 L180 L183 | E6-L97 HydrophobicContact CG-CD2 4.46Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 PolarHBondContact O-N 3.37Å; L94-L97 HydrophobicContact CD2-CD2 4.26Å; L94-L97 PolarHBondContact O-N 2.94Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.56Å; L97-M99 VanDerWaalsContact C-N 3.26Å; L97-M99 PolarHBondContact O-N 2.73Å; L97-A100 PolarHBondContact O-N 2.88Å; L97-A100 VanDerWaalsContact O-N 3.12Å; L97-V101 HydrophobicContact CD1-CG2 4.03Å; L97-V101 HydrophobicContact CG-CG2 4.34Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.28Å; L97-V101 PolarHBondContact O-N 3.4Å; L97-L180 HydrophobicContact CB-CD1 4.04Å; L97-L180 HydrophobicContact CD1-CD1 4.48Å; L97-L180 HydrophobicContact CD2-CD1 4.35Å; L97-L180 HydrophobicContact CD2-CD2 4.23Å; L97-L183 HydrophobicContact CD1-CD1 3.81Å |
| 98 | A | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.9 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L35 L36 L39 V47 L94 V95 S102 | L35-A98 HydrophobicContact CB-CB 4.24Å; L36-A98 HydrophobicContact CD2-CB 4.24Å; L39-A98 HydrophobicContact CD1-CB 3.96Å; V47-A98 HydrophobicContact CG1-CB 4.33Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.46Å; V95-A98 PolarHBondContact O-N 2.68Å; A98-S102 VanDerWaalsContact O-CB 3.25Å; A98-S102 WeakPolarHBondContact O-CB 3.48Å; A98-S102 PolarHBondContact O-N 3.42Å; A98-S102 PolarHBondContact O-OG 2.9Å |
| 99 | M | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.3 | -50.9 | 171.6 | -73.1 | 173.3 | 60.1 | 0 | 0 | 112.2 | V53 V56 L57 L77 V95 V96 L97 S102 C103 I169 | V53-M99 HydrophobicContact CB-CG 4.35Å; V53-M99 HydrophobicContact CB-SD 4.3Å; V53-M99 HydrophobicContact CG1-CE 3.8Å; V53-M99 HydrophobicContact CG1-CG 4.13Å; V53-M99 HydrophobicContact CG1-SD 4.07Å; V53-M99 HydrophobicContact CG2-CG 3.38Å; V53-M99 HydrophobicContact CG2-SD 3.75Å; V56-M99 HydrophobicContact CB-CE 4.48Å; V56-M99 HydrophobicContact CB-SD 4.38Å; V56-M99 HydrophobicContact CG1-CE 4.08Å; V56-M99 HydrophobicContact CG1-SD 4.24Å; V56-M99 HydrophobicContact CG2-SD 4.45Å; L57-M99 HydrophobicContact CD2-CE 4.33Å; L57-M99 HydrophobicContact CG-CE 4.5Å; L77-M99 HydrophobicContact CD2-CE 4.4Å; V95-M99 HydrophobicContact CG1-SD 4.24Å; V95-M99 VanDerWaalsContact O-CG 3.32Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 3.14Å; V96-M99 WeakPolarHBondContact O-CB 3.35Å; V96-M99 PolarHBondContact O-N 2.87Å; L97-M99 VanDerWaalsContact C-N 3.26Å; L97-M99 PolarHBondContact O-N 2.73Å; M99-S102 PolarHBondContact O-N 2.96Å; M99-C103 WeakPolarHBondContact O-CB 3.49Å; M99-C103 PolarHBondContact O-N 3.48Å; M99-C103 PolarHBondContact O-SG 3.38Å; M99-I169 HydrophobicContact CB-CD1 4.16Å; M99-I169 HydrophobicContact CE-CD1 4.47Å |
| 100 | A | 96.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V96 L97 C103 L104 I169 L170 | V96-A100 PolarHBondContact O-N 3.18Å; L97-A100 PolarHBondContact O-N 2.88Å; L97-A100 VanDerWaalsContact O-N 3.12Å; A100-C103 WeakPolarHBondContact O-CB 3.4Å; A100-C103 PolarHBondContact O-N 3.35Å; A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.04Å; A100-I169 HydrophobicContact CB-CB 4.23Å; A100-I169 HydrophobicContact CB-CD1 4.14Å; A100-I169 HydrophobicContact CB-CG2 3.77Å; A100-L170 HydrophobicContact CB-CD2 4.07Å; A100-L170 HydrophobicContact CB-CG 4.16Å |
| 101 | V | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | V9 L39 L97 C103 L104 H105 W186 | V9-V101 HydrophobicContact CG1-CG1 4.34Å; V9-V101 HydrophobicContact CG1-CG2 4.01Å; L39-V101 HydrophobicContact CD1-CB 3.81Å; L39-V101 HydrophobicContact CD1-CG1 3.67Å; L39-V101 HydrophobicContact CD2-CG1 4.22Å; L39-V101 HydrophobicContact CG-CG1 4.17Å; L97-V101 HydrophobicContact CD1-CG2 4.03Å; L97-V101 HydrophobicContact CG-CG2 4.34Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.28Å; L97-V101 PolarHBondContact O-N 3.4Å; V101-C103 VanDerWaalsContact C-N 3.33Å; V101-C103 PolarHBondContact O-N 2.89Å; V101-L104 PolarHBondContact O-N 2.83Å; V101-H105 WeakPolarHBondContact CG1-CD2 3.38Å; V101-H105 PolarHBondContact O-CD2 3.05Å; V101-H105 VanDerWaalsContact O-CD2 3.26Å; V101-H105 PolarHBondContact O-N 3.09Å; V101-W186 HydrophobicContact CB-CH2 4.26Å; V101-W186 HydrophobicContact CB-CZ2 4.37Å; V101-W186 HydrophobicContact CB-CZ3 4.42Å; V101-W186 HydrophobicContact CG1-CH2 3.49Å; V101-W186 VanDerWaalsContact CG1-CH2 3.49Å; V101-W186 HydrophobicContact CG1-CZ2 3.84Å; V101-W186 HydrophobicContact CG1-CZ3 3.94Å; V101-W186 HydrophobicContact CG2-CD2 3.66Å; V101-W186 VanDerWaalsContact CG2-CE2 3.44Å; V101-W186 HydrophobicContact CG2-CE3 3.97Å; V101-W186 HydrophobicContact CG2-CG 4.24Å; V101-W186 HydrophobicContact CG2-CH2 3.88Å; V101-W186 HydrophobicContact CG2-CZ2 3.57Å; V101-W186 HydrophobicContact CG2-CZ3 4.07Å |
| 102 | S | 96 | Very high | 94 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 112 | V47 A98 M99 L106 | V47-S102 WeakPolarHBondContact CB-OG 3.28Å; V47-S102 WeakPolarHBondContact CG1-OG 3.04Å; A98-S102 VanDerWaalsContact O-CB 3.25Å; A98-S102 WeakPolarHBondContact O-CB 3.48Å; A98-S102 PolarHBondContact O-N 3.42Å; A98-S102 PolarHBondContact O-OG 2.9Å; M99-S102 PolarHBondContact O-N 2.96Å; S102-L106 WeakPolarHBondContact O-CB 3.47Å; S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.03Å |
| 103 | C | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 174 | -71 | 0 | 0 | 0 | 0 | 111.9 | M99 A100 V101 F107 L162 A166 | M99-C103 WeakPolarHBondContact O-CB 3.49Å; M99-C103 PolarHBondContact O-N 3.48Å; M99-C103 PolarHBondContact O-SG 3.38Å; A100-C103 WeakPolarHBondContact O-CB 3.4Å; A100-C103 PolarHBondContact O-N 3.35Å; V101-C103 VanDerWaalsContact C-N 3.33Å; V101-C103 PolarHBondContact O-N 2.89Å; C103-F107 WeakPolarHBondContact O-CB 3.5Å; C103-F107 PolarHBondContact O-N 3.3Å; C103-L162 HydrophobicContact CB-CB 4.32Å; C103-L162 WeakPolarHBondContact CB-O 3.31Å; C103-A166 HydrophobicContact CB-CB 4.06Å |
| 104 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 179.3 | -68.2 | -180 | 0 | 0 | 0 | 112 | A100 V101 F107 A108 L163 A166 L170 W186 R189 Y190 L193 | A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.04Å; V101-L104 PolarHBondContact O-N 2.83Å; L104-F107 PolarHBondContact O-N 3.2Å; L104-A108 WeakPolarHBondContact O-CB 3.37Å; L104-A108 PolarHBondContact O-N 3.31Å; L104-L163 HydrophobicContact CD2-CD1 4.29Å; L104-A166 HydrophobicContact CD2-CB 3.65Å; L104-A166 HydrophobicContact CG-CB 4.03Å; L104-L170 HydrophobicContact CD1-CD1 3.81Å; L104-L170 HydrophobicContact CG-CD1 4.45Å; L104-W186 HydrophobicContact CD1-CE3 3.98Å; L104-R189 HydrophobicContact CD1-CB 4.41Å; L104-Y190 HydrophobicContact CD2-CD2 4.33Å; L104-L193 HydrophobicContact CD2-CD1 4.21Å |
| 105 | H | 95.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 3.6 Ų | 3.6 | 8% | 0.079 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -68.4 | -42.2 | 179.5 | -73.9 | -53 | 0 | 0 | 0 | 113.2 | F44 V101 F107 A108 Q109 W186 L432 Y436 | F44-H105 HydrophobicContact CD1-CB 4.05Å; F44-H105 HydrophobicContact CD2-CB 3.84Å; F44-H105 HydrophobicContact CE1-CB 3.87Å; F44-H105 AromaticContact CE1-CD2 3.68Å; F44-H105 AromaticContact CE1-CG 4Å; F44-H105 HydrophobicContact CE2-CB 3.65Å; F44-H105 HydrophobicContact CG-CB 4.04Å; F44-H105 HydrophobicContact CZ-CB 3.66Å; F44-H105 AromaticContact CZ-CD2 3.91Å; F44-H105 AromaticContact CZ-CG 3.84Å; V101-H105 WeakPolarHBondContact CG1-CD2 3.38Å; V101-H105 PolarHBondContact O-CD2 3.05Å; V101-H105 VanDerWaalsContact O-CD2 3.26Å; V101-H105 PolarHBondContact O-N 3.09Å; H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 2.88Å; H105-A108 PolarHBondContact O-N 2.97Å; H105-Q109 WeakPolarHBondContact O-CB 3.41Å; H105-Q109 PolarHBondContact O-N 3.36Å; H105-W186 AromaticContact NE2-CH2 3.52Å; H105-W186 AromaticContact NE2-CZ3 3.84Å; H105-L432 HydrophobicContact CB-CD1 3.98Å; H105-Y436 AromaticContact CE1-CE2 3.72Å |
| 106 | L | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 2% | 0.016 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.2 | -34.8 | 174 | -77.6 | 168.2 | 0 | 0 | 0 | 112.3 | F44 L48 S102 Q109 S110 V117 L119 L162 | F44-L106 HydrophobicContact CB-CD1 3.72Å; F44-L106 HydrophobicContact CB-CD2 3.9Å; F44-L106 HydrophobicContact CB-CG 3.46Å; F44-L106 VanDerWaalsContact CB-CG 3.46Å; F44-L106 HydrophobicContact CD2-CD2 4.45Å; F44-L106 HydrophobicContact CD2-CG 4.41Å; F44-L106 HydrophobicContact CG-CG 4.32Å; L48-L106 HydrophobicContact CD1-CD1 3.45Å; L48-L106 VanDerWaalsContact CD1-CD1 3.45Å; L48-L106 HydrophobicContact CG-CD1 4.1Å; S102-L106 WeakPolarHBondContact O-CB 3.47Å; S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.03Å; L106-Q109 PolarHBondContact O-N 2.93Å; L106-S110 WeakPolarHBondContact O-CB 3.31Å; L106-S110 PolarHBondContact O-N 3.44Å; L106-S110 PolarHBondContact O-OG 3.24Å; L106-V117 HydrophobicContact CD2-CG1 4.36Å; L106-V117 HydrophobicContact CD2-CG2 4.07Å; L106-L119 HydrophobicContact CD1-CD2 4.09Å; L106-L162 HydrophobicContact CB-CD1 3.63Å |
| 107 | F | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.2 | -174 | -105.3 | 0 | 0 | 0 | 111.4 | C103 L104 H105 S110 N111 W112 V157 L162 L163 L193 I197 | C103-F107 WeakPolarHBondContact O-CB 3.5Å; C103-F107 PolarHBondContact O-N 3.3Å; L104-F107 PolarHBondContact O-N 3.2Å; H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 2.88Å; F107-S110 PolarHBondContact O-N 3.18Å; F107-N111 WeakPolarHBondContact CE2-ND2 3.47Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-N 3.08Å; F107-N111 PolarHBondContact O-ND2 2.97Å; F107-W112 AromaticContact CD1-CZ3 3.89Å; F107-W112 HydrophobicContact CD1-CZ3 3.89Å; F107-W112 AromaticContact CE1-CH2 3.85Å; F107-W112 HydrophobicContact CE1-CH2 3.85Å; F107-W112 AromaticContact CE1-CZ3 3.55Å; F107-W112 HydrophobicContact CE1-CZ3 3.55Å; F107-W112 HydrophobicContact CZ-CZ3 4.28Å; F107-V157 HydrophobicContact CE2-CG1 3.44Å; F107-V157 VanDerWaalsContact CE2-CG1 3.44Å; F107-V157 HydrophobicContact CZ-CG1 3.56Å; F107-L162 HydrophobicContact CB-CB 4.16Å; F107-L162 HydrophobicContact CD2-CB 4.48Å; F107-L163 HydrophobicContact CD1-CB 4.26Å; F107-L163 HydrophobicContact CD1-CD1 3.95Å; F107-L163 HydrophobicContact CD2-CB 4.06Å; F107-L163 HydrophobicContact CE1-CB 4.18Å; F107-L163 HydrophobicContact CE1-CD1 3.96Å; F107-L163 HydrophobicContact CE1-CD2 3.86Å; F107-L163 HydrophobicContact CE1-CG 4.22Å; F107-L163 HydrophobicContact CE2-CB 3.98Å; F107-L163 HydrophobicContact CG-CB 4.2Å; F107-L163 HydrophobicContact CZ-CB 4.04Å; F107-L163 HydrophobicContact CZ-CD2 3.84Å; F107-L163 HydrophobicContact CZ-CG 4.38Å; F107-L193 HydrophobicContact CD1-CB 4.45Å; F107-L193 HydrophobicContact CD1-CD1 4.26Å; F107-L193 HydrophobicContact CE1-CB 4.41Å; F107-I197 HydrophobicContact CE1-CG2 4.46Å; F107-I197 HydrophobicContact CZ-CD1 4.41Å; F107-I197 HydrophobicContact CZ-CG2 4.23Å |
| 108 | A | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L104 H105 S110 N111 W112 T113 L193 L432 F435 | L104-A108 WeakPolarHBondContact O-CB 3.37Å; L104-A108 PolarHBondContact O-N 3.31Å; H105-A108 PolarHBondContact O-N 2.97Å; A108-S110 PolarHBondContact O-N 2.92Å; A108-N111 PolarHBondContact O-N 3.1Å; A108-W112 WeakPolarHBondContact O-CA 3.44Å; A108-W112 WeakPolarHBondContact O-CB 3.4Å; A108-W112 PolarHBondContact O-N 3.27Å; A108-T113 PolarHBondContact O-N 2.85Å; A108-L193 HydrophobicContact CB-CD1 4.44Å; A108-L432 HydrophobicContact CB-CD2 4.29Å; A108-F435 HydrophobicContact CB-CD1 4.47Å; A108-F435 HydrophobicContact CB-CE1 3.78Å; A108-F435 HydrophobicContact CB-CZ 4Å |
| 109 | Q | 94.5 | Very high | 92.1 | Very high | 17 Ų | 17 | 12.7 Ų | 12.7 | 8% | 0.079 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -60.1 | -46.8 | 174.8 | -176.4 | -172.8 | -14.5 | 0 | 0 | 111.9 | H105 L106 N111 T113 G114 P115 V117 V428 | H105-Q109 WeakPolarHBondContact O-CB 3.41Å; H105-Q109 PolarHBondContact O-N 3.36Å; L106-Q109 PolarHBondContact O-N 2.93Å; Q109-N111 PolarHBondContact O-N 2.83Å; Q109-T113 VanDerWaalsContact CA-OG1 3.31Å; Q109-T113 WeakPolarHBondContact CA-OG1 3.47Å; Q109-G114 WeakPolarHBondContact O-CA 3.45Å; Q109-G114 PolarHBondContact O-N 3.4Å; Q109-P115 WeakPolarHBondContact CG-O 3.32Å; Q109-P115 PolarHBondContact NE2-O 3.15Å; Q109-P115 VanDerWaalsContact NE2-O 3.08Å; Q109-V117 HydrophobicContact CG-CG2 4.08Å; Q109-V428 HydrophobicContact CB-CG1 4.15Å; Q109-V428 HydrophobicContact CG-CG1 3.89Å; Q109-V428 HydrophobicContact CG-CG2 4.1Å; Q109-V428 VanDerWaalsContact NE2-CG2 3.28Å |
| 110 | S | 93.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -65.5 | -25.7 | -176 | -59 | 0 | 0 | 0 | 0 | 113.5 | L106 F107 A108 N159 | L106-S110 WeakPolarHBondContact O-CB 3.31Å; L106-S110 PolarHBondContact O-N 3.44Å; L106-S110 PolarHBondContact O-OG 3.24Å; F107-S110 PolarHBondContact O-N 3.18Å; A108-S110 PolarHBondContact O-N 2.92Å; S110-N159 PolarHBondContact OG-ND2 3.46Å |
| 111 | N | 94.4 | Very high | 90 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -125.1 | -24.3 | -165.8 | -69.1 | -74.2 | 0 | 0 | 0 | 114.7 | F107 A108 Q109 V158 R443 W444 | F107-N111 WeakPolarHBondContact CE2-ND2 3.47Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-N 3.08Å; F107-N111 PolarHBondContact O-ND2 2.97Å; A108-N111 PolarHBondContact O-N 3.1Å; Q109-N111 PolarHBondContact O-N 2.83Å; N111-V158 PolarHBondContact ND2-O 2.84Å; N111-V158 PolarHBondContact OD1-N 2.98Å; N111-R443 WeakPolarHBondContact O-CB 3.39Å; N111-R443 PolarHBondContact O-N 3.36Å; N111-W444 HydrophobicContact CB-CH2 4.27Å; N111-W444 HydrophobicContact CB-CZ3 3.81Å |
| 112 | W | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -118.2 | -53.8 | -179.1 | -74.5 | -103.3 | 0 | 0 | 0 | 113.2 | F107 A108 L193 Q196 I197 F421 F435 V440 P442 W444 | F107-W112 AromaticContact CD1-CZ3 3.89Å; F107-W112 HydrophobicContact CD1-CZ3 3.89Å; F107-W112 AromaticContact CE1-CH2 3.85Å; F107-W112 HydrophobicContact CE1-CH2 3.85Å; F107-W112 AromaticContact CE1-CZ3 3.55Å; F107-W112 HydrophobicContact CE1-CZ3 3.55Å; F107-W112 HydrophobicContact CZ-CZ3 4.28Å; A108-W112 WeakPolarHBondContact O-CA 3.44Å; A108-W112 WeakPolarHBondContact O-CB 3.4Å; A108-W112 PolarHBondContact O-N 3.27Å; W112-L193 HydrophobicContact CD2-CD2 4.18Å; W112-L193 HydrophobicContact CE3-CD2 4.08Å; W112-L193 HydrophobicContact CH2-CB 4.48Å; W112-L193 HydrophobicContact CH2-CD2 3.87Å; W112-L193 HydrophobicContact CZ2-CD2 3.95Å; W112-L193 HydrophobicContact CZ3-CD2 3.93Å; W112-Q196 HydrophobicContact CZ2-CB 3.78Å; W112-I197 HydrophobicContact CH2-CG2 3.83Å; W112-F421 WeakPolarHBondContact O-CD1 3.39Å; W112-F421 WeakPolarHBondContact O-CE1 3.41Å; W112-F435 HydrophobicContact CB-CE2 3.61Å; W112-F435 HydrophobicContact CB-CZ 3.77Å; W112-F435 AromaticContact CD1-CZ 3.99Å; W112-F435 HydrophobicContact CD2-CZ 4.28Å; W112-F435 AromaticContact CG-CE2 3.94Å; W112-F435 HydrophobicContact CG-CE2 3.94Å; W112-F435 AromaticContact CG-CZ 3.75Å; W112-F435 HydrophobicContact CG-CZ 3.75Å; W112-V440 PolarHBondContact NE1-O 3.16Å; W112-P442 HydrophobicContact CD2-CB 4.22Å; W112-P442 HydrophobicContact CG-CB 4.36Å; W112-P442 HydrophobicContact CZ2-CB 4.12Å; W112-W444 HydrophobicContact CH2-CH2 4.17Å; W112-W444 HydrophobicContact CZ2-CH2 4.34Å |
| 113 | T | 93.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -93.9 | -33.3 | -168.2 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | A108 Q109 W386 R431 L432 F435 | A108-T113 PolarHBondContact O-N 2.85Å; Q109-T113 VanDerWaalsContact CA-OG1 3.31Å; Q109-T113 WeakPolarHBondContact CA-OG1 3.47Å; T113-W386 HydrophobicContact CG2-CH2 4.24Å; T113-W386 HydrophobicContact CG2-CZ3 3.76Å; T113-R431 HydrophobicContact CG2-CB 4.34Å; T113-R431 WeakPolarHBondContact O-CD 3.48Å; T113-R431 PolarHBondContact O-NH1 3.32Å; T113-L432 HydrophobicContact CG2-CD2 4.07Å; T113-F435 HydrophobicContact CG2-CD2 3.7Å; T113-F435 HydrophobicContact CG2-CE2 3.86Å; T113-F435 HydrophobicContact CG2-CG 4.47Å |
| 114 | G | 89.2 | Confident | 86.5 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 67.5 | 171.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q109 F421 R431 | Q109-G114 WeakPolarHBondContact O-CA 3.45Å; Q109-G114 PolarHBondContact O-N 3.4Å; G114-F421 WeakPolarHBondContact CA-O 3.23Å; G114-R431 VanDerWaalsContact C-NH1 3.26Å; G114-R431 WeakPolarHBondContact O-CD 3.48Å; G114-R431 PolarHBondContact O-NH1 3.44Å |
| 115 | P | 89.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 13% | 0.13 | 17% | 0.169 | C | C | . | . | S | Bend | cis | -69.9 | 154.8 | -6.3 | 30.2 | -35.9 | 0 | 0 | 0 | 112.6 | Q109 F421 Q424 | Q109-P115 WeakPolarHBondContact CG-O 3.32Å; Q109-P115 PolarHBondContact NE2-O 3.15Å; Q109-P115 VanDerWaalsContact NE2-O 3.08Å; P115-F421 WeakPolarHBondContact CA-O 3.48Å; P115-Q424 HydrophobicContact CB-CG 4.07Å; P115-Q424 HydrophobicContact CG-CG 4.2Å |
| 116 | P | 82.3 | Confident | 84.7 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | trans | -63.7 | 139.4 | -177.5 | 26.4 | -33.7 | 0 | 0 | 0 | 111.8 | E422 | P116-E422 VanDerWaalsContact CD-OE2 3.32Å; P116-E422 WeakPolarHBondContact CD-OE2 3.44Å; P116-E422 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 117 | V | 85.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | trans | -104.7 | 129.7 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | L106 Q109 L119 N159 | L106-V117 HydrophobicContact CD2-CG1 4.36Å; L106-V117 HydrophobicContact CD2-CG2 4.07Å; Q109-V117 HydrophobicContact CG-CG2 4.08Å; V117-L119 HydrophobicContact CG1-CB 4.05Å; V117-L119 PolarHBondContact O-N 3.48Å; V117-N159 PolarHBondContact O-ND2 3.06Å | ||
| 118 | S | 79.7 | Confident | 82.3 | Confident | 104 Ų | 104 | 40.4 Ų | 40.4 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | trans | -94.4 | 85.3 | 171 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 119 | L | 79.2 | Confident | 81 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | trans | -116.5 | 119.1 | 179.7 | -175 | 66.3 | 0 | 0 | 0 | 111.2 | E45 L48 L49 L106 V117 M121 L162 | E45-L119 HydrophobicContact CG-CD1 3.99Å; L48-L119 HydrophobicContact CD1-CD2 3.99Å; L49-L119 HydrophobicContact CD1-CD1 4.3Å; L49-L119 HydrophobicContact CD2-CD1 3.85Å; L49-L119 HydrophobicContact CG-CD1 4.11Å; L106-L119 HydrophobicContact CD1-CD2 4.09Å; V117-L119 HydrophobicContact CG1-CB 4.05Å; V117-L119 PolarHBondContact O-N 3.48Å; L119-M121 HydrophobicContact CD1-SD 4.34Å; L119-M121 HydrophobicContact CD2-CG 3.73Å; L119-M121 HydrophobicContact CD2-SD 3.87Å; L119-M121 HydrophobicContact CG-CG 3.89Å; L119-M121 HydrophobicContact CG-SD 4.12Å; L119-L162 HydrophobicContact CD2-CD2 4.4Å | ||
| 120 | H | 73.3 | Confident | 79.8 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | trans | -101.8 | 78.1 | 177.9 | -64.3 | -61.4 | 0 | 0 | 0 | 111.5 | W122 | H120-W122 PolarHBondContact O-N 3.3Š| ||
| 121 | M | 74.6 | Confident | 78 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -67.7 | -18.9 | 179.8 | -73.6 | -60.7 | -72.9 | 0 | 0 | 114.3 | L48 L49 V53 L57 L119 D123 R124 F161 L162 | L48-M121 HydrophobicContact CB-CE 3.9Å; L48-M121 HydrophobicContact CB-SD 3.92Å; L49-M121 HydrophobicContact CD2-SD 4.47Å; V53-M121 HydrophobicContact CG1-CE 4.46Å; L57-M121 HydrophobicContact CD1-CE 3.61Å; L119-M121 HydrophobicContact CD1-SD 4.34Å; L119-M121 HydrophobicContact CD2-CG 3.73Å; L119-M121 HydrophobicContact CD2-SD 3.87Å; L119-M121 HydrophobicContact CG-CG 3.89Å; L119-M121 HydrophobicContact CG-SD 4.12Å; M121-D123 PolarHBondContact O-N 2.86Å; M121-R124 WeakPolarHBondContact O-CB 3.18Å; M121-R124 PolarHBondContact O-N 3.16Å; M121-F161 HydrophobicContact CB-CD1 3.64Å; M121-F161 HydrophobicContact CB-CE1 3.73Å; M121-F161 HydrophobicContact CG-CD1 4.44Å; M121-L162 HydrophobicContact CG-CD2 4.2Å |
| 122 | W | 70.3 | Confident | 76 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -58.5 | -32 | -179.6 | -56.4 | 107.8 | 0 | 0 | 0 | 113.2 | M69 H120 R124 L125 L130 L138 T142 F161 | M69-W122 HydrophobicContact CE-CH2 4.35Å; M69-W122 HydrophobicContact SD-CH2 3.95Å; M69-W122 HydrophobicContact SD-CZ3 3.54Å; M69-W122 VanDerWaalsContact SD-CZ3 3.54Å; H120-W122 PolarHBondContact O-N 3.3Å; W122-R124 PolarHBondContact O-N 3.39Å; W122-L125 HydrophobicContact CE3-CD1 3.72Å; W122-L125 HydrophobicContact CZ3-CD1 4.05Å; W122-L125 PolarHBondContact O-N 2.89Å; W122-L130 HydrophobicContact CB-CD2 4.31Å; W122-L130 WeakPolarHBondContact O-CD1 3.47Å; W122-L138 HydrophobicContact CD2-CB 4.5Å; W122-L138 HydrophobicContact CG-CD1 4.47Å; W122-L138 HydrophobicContact CZ2-CB 4.46Å; W122-T142 HydrophobicContact CH2-CG2 4.31Å; W122-T142 WeakPolarHBondContact CH2-OG1 3.3Å; W122-T142 HydrophobicContact CZ2-CG2 4.45Å; W122-T142 WeakPolarHBondContact CZ2-OG1 3.49Å; W122-F161 HydrophobicContact CD2-CD2 4.36Å; W122-F161 HydrophobicContact CD2-CG 4.38Å; W122-F161 AromaticContact CE3-CD2 3.92Å; W122-F161 HydrophobicContact CE3-CD2 3.92Å; W122-F161 AromaticContact CE3-CE2 3.96Å; W122-F161 HydrophobicContact CE3-CE2 3.96Å; W122-F161 HydrophobicContact CE3-CG 4.36Å; W122-F161 HydrophobicContact CE3-CZ 4.5Å; W122-F161 HydrophobicContact CH2-CB 3.87Å; W122-F161 AromaticContact CH2-CD2 3.05Å; W122-F161 HydrophobicContact CH2-CD2 3.05Å; W122-F161 AromaticContact CH2-CE2 3.73Å; W122-F161 HydrophobicContact CH2-CE2 3.73Å; W122-F161 AromaticContact CH2-CG 3.7Å; W122-F161 HydrophobicContact CH2-CG 3.7Å; W122-F161 HydrophobicContact CZ2-CB 3.45Å; W122-F161 VanDerWaalsContact CZ2-CB 3.45Å; W122-F161 AromaticContact CZ2-CD2 3.6Å; W122-F161 HydrophobicContact CZ2-CD2 3.6Å; W122-F161 AromaticContact CZ2-CG 3.73Å; W122-F161 HydrophobicContact CZ2-CG 3.73Å; W122-F161 AromaticContact CZ3-CD2 3.23Å; W122-F161 HydrophobicContact CZ3-CD2 3.23Å; W122-F161 AromaticContact CZ3-CE2 3.38Å; W122-F161 HydrophobicContact CZ3-CE2 3.38Å; W122-F161 HydrophobicContact CZ3-CG 4.02Å; W122-F161 HydrophobicContact CZ3-CZ 4.32Å |
| 123 | D | 70.2 | Confident | 74.5 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -62.1 | -13.9 | -178.5 | -62.7 | -18.8 | 0 | 0 | 0 | 113 | M121 | M121-D123 PolarHBondContact O-N 2.86Š|
| 124 | R | 74.6 | Confident | 73.5 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -91.9 | -11.8 | 178 | -56.7 | -58.4 | -171 | 174.4 | 2.7 | 113.7 | T58 M121 W122 | T58-R124 VanDerWaalsContact CG2-O 3.28Å; T58-R124 WeakPolarHBondContact CG2-O 3.3Å; M121-R124 WeakPolarHBondContact O-CB 3.18Å; M121-R124 PolarHBondContact O-N 3.16Å; W122-R124 PolarHBondContact O-N 3.39Å |
| 125 | L | 78.7 | Confident | 72.8 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -79.9 | 150.7 | 175.6 | -63.1 | 176.8 | 0 | 0 | 0 | 110.5 | Y72 L73 W122 S127 L130 F161 | Y72-L125 HydrophobicContact CD1-CD2 4.28Å; Y72-L125 HydrophobicContact CE1-CD2 3.82Å; L73-L125 HydrophobicContact CD2-CD2 4.06Å; W122-L125 HydrophobicContact CE3-CD1 3.72Å; W122-L125 HydrophobicContact CZ3-CD1 4.05Å; W122-L125 PolarHBondContact O-N 2.89Å; L125-S127 PolarHBondContact O-N 3.28Å; L125-L130 HydrophobicContact CB-CD1 4.44Å; L125-L130 HydrophobicContact CB-CD2 4.37Å; L125-L130 HydrophobicContact CB-CG 4.39Å; L125-L130 WeakPolarHBondContact O-CD1 3.24Å; L125-F161 HydrophobicContact CD1-CE2 4.28Å; L125-F161 HydrophobicContact CD1-CZ 4.18Å |
| 126 | P | 76.5 | Confident | 72.2 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | trans | -52.4 | 137.2 | 174.4 | -26.8 | 32 | 0 | 0 | 0 | 112.6 | Y72 V128 L129 L130 | Y72-P126 HydrophobicContact CE2-CG 4.24Å; Y72-P126 WeakPolarHBondContact OH-CD 3.45Å; Y72-P126 WeakPolarHBondContact OH-CG 3.42Å; P126-V128 PolarHBondContact O-N 3.35Å; P126-L129 HydrophobicContact CB-CD1 4.46Å; P126-L129 HydrophobicContact CG-CD1 4.29Å; P126-L129 PolarHBondContact O-N 3.34Å; P126-L130 PolarHBondContact O-N 3.38Å | ||
| 127 | S | 70.6 | Confident | 72 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.6 | -22.5 | -179.2 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | L125 L130 S131 | L125-S127 PolarHBondContact O-N 3.28Å; S127-L130 CarbonylContact O-C 3.53Å; S127-L130 PolarHBondContact O-N 3.39Å; S127-S131 WeakPolarHBondContact O-CA 3.41Å; S127-S131 WeakPolarHBondContact O-CB 3.43Å; S127-S131 PolarHBondContact O-N 2.79Å; S127-S131 PolarHBondContact O-OG 2.8Å |
| 128 | V | 69 | Low | 71.8 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.8 | -33.2 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | C63 P126 S131 | C63-V128 HydrophobicContact CB-CB 4.33Å; C63-V128 HydrophobicContact CB-CG1 3.97Å; P126-V128 PolarHBondContact O-N 3.35Å; V128-S131 WeakPolarHBondContact CA-OG 3.44Å; V128-S131 PolarHBondContact O-OG 2.98Å |
| 129 | L | 68.9 | Low | 72 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -76.9 | -28.9 | 173.7 | -74.6 | 154.1 | 0 | 0 | 0 | 111.9 | C63 Y72 P126 | C63-L129 HydrophobicContact CB-CG 4.31Å; C63-L129 VanDerWaalsContact SG-CD1 3.57Å; C63-L129 VanDerWaalsContact SG-CG 3.51Å; Y72-L129 HydrophobicContact CD1-CD1 3.46Å; Y72-L129 VanDerWaalsContact CD1-CD1 3.46Å; Y72-L129 HydrophobicContact CD2-CD1 3.51Å; Y72-L129 HydrophobicContact CE1-CD1 3.59Å; Y72-L129 HydrophobicContact CE2-CD1 3.63Å; Y72-L129 HydrophobicContact CG-CD1 3.42Å; Y72-L129 VanDerWaalsContact CG-CD1 3.42Å; Y72-L129 HydrophobicContact CG-CD2 4.34Å; P126-L129 HydrophobicContact CB-CD1 4.46Å; P126-L129 HydrophobicContact CG-CD1 4.29Å; P126-L129 PolarHBondContact O-N 3.34Å |
| 130 | L | 70.2 | Confident | 72.2 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -87.5 | -20.9 | -179.3 | -56.5 | 172.7 | 0 | 0 | 0 | 112.3 | W122 L125 P126 S127 S132 R133 L138 | W122-L130 HydrophobicContact CB-CD2 4.31Å; W122-L130 WeakPolarHBondContact O-CD1 3.47Å; L125-L130 HydrophobicContact CB-CD1 4.44Å; L125-L130 HydrophobicContact CB-CD2 4.37Å; L125-L130 HydrophobicContact CB-CG 4.39Å; L125-L130 WeakPolarHBondContact O-CD1 3.24Å; P126-L130 PolarHBondContact O-N 3.38Å; S127-L130 CarbonylContact O-C 3.53Å; S127-L130 PolarHBondContact O-N 3.39Å; L130-S132 PolarHBondContact O-N 3.3Å; L130-R133 PolarHBondContact O-N 3.1Å; L130-L138 HydrophobicContact CD2-CD1 3.78Å; L130-L138 HydrophobicContact CD2-CD2 4.37Å |
| 131 | S | 54.3 | Low | 72.7 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 53% | 0.531 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 89.8 | -170.5 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | S127 V128 | S127-S131 WeakPolarHBondContact O-CA 3.41Å; S127-S131 WeakPolarHBondContact O-CB 3.43Å; S127-S131 PolarHBondContact O-N 2.79Å; S127-S131 PolarHBondContact O-OG 2.8Å; V128-S131 WeakPolarHBondContact CA-OG 3.44Å; V128-S131 PolarHBondContact O-OG 2.98Å |
| 132 | S | 53.2 | Low | 73.3 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 79% | 0.79 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.2 | -4.5 | 162.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | L130 | L130-S132 PolarHBondContact O-N 3.3Š|
| 133 | R | 62.7 | Low | 74.2 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | trans | -113.6 | 128.7 | -172.4 | -62 | -174.3 | -176.3 | -168.8 | 3 | 112.2 | L130 L137 L138 | L130-R133 PolarHBondContact O-N 3.1Å; R133-L137 HydrophobicContact CB-CB 4.05Å; R133-L137 HydrophobicContact CG-CB 4.46Å; R133-L138 HydrophobicContact CB-CD2 3.91Å; R133-L138 HydrophobicContact CB-CG 3.86Å | ||
| 134 | S | 71 | Confident | 75 | Confident | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | trans | -64.1 | 157.2 | 166.8 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | Q136 L137 L138 | S134-Q136 PolarHBondContact O-N 2.84Å; S134-Q136 VanDerWaalsContact O-N 3.09Å; S134-L137 PolarHBondContact O-N 3.49Å; S134-L137 WeakPolarHBondContact OG-CG 3.35Å; S134-L137 PolarHBondContact OG-N 3.17Å; S134-L138 PolarHBondContact O-N 3.13Å | ||
| 135 | P | 74.8 | Confident | 75.7 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.2 | -32.5 | 176.9 | -28.3 | 35 | 0 | 0 | 0 | 113.8 | T139 | P135-T139 PolarHBondContact O-N 3.01Å; P135-T139 PolarHBondContact O-OG1 3.03Å |
| 136 | Q | 76.8 | Confident | 76.4 | Confident | 150 Ų | 150 | 58.9 Ų | 58.9 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -49.6 | 174 | -68.4 | 174.1 | -14.8 | 0 | 0 | 111.5 | S134 L138 T139 E140 | S134-Q136 PolarHBondContact O-N 2.84Å; S134-Q136 VanDerWaalsContact O-N 3.09Å; Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 3.07Å; Q136-T139 WeakPolarHBondContact O-CB 3.5Å; Q136-T139 PolarHBondContact O-N 2.99Å; Q136-T139 VanDerWaalsContact O-N 3.17Å; Q136-E140 VanDerWaalsContact O-CG 3.31Å; Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.23Å |
| 137 | L | 79.2 | Confident | 77.1 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.2 | -32.4 | 177.9 | -70 | 172.4 | 0 | 0 | 0 | 112.7 | R133 S134 A141 | R133-L137 HydrophobicContact CB-CB 4.05Å; R133-L137 HydrophobicContact CG-CB 4.46Å; S134-L137 PolarHBondContact O-N 3.49Å; S134-L137 WeakPolarHBondContact OG-CG 3.35Å; S134-L137 PolarHBondContact OG-N 3.17Å; L137-A141 WeakPolarHBondContact O-CB 3.4Å; L137-A141 PolarHBondContact O-N 2.82Å |
| 138 | L | 80 | Confident | 78.1 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173.6 | -71.3 | 170.8 | 0 | 0 | 0 | 111.5 | M69 W122 L130 R133 S134 Q136 E140 A141 T142 | M69-L138 HydrophobicContact SD-CD2 4.3Å; W122-L138 HydrophobicContact CD2-CB 4.5Å; W122-L138 HydrophobicContact CG-CD1 4.47Å; W122-L138 HydrophobicContact CZ2-CB 4.46Å; L130-L138 HydrophobicContact CD2-CD1 3.78Å; L130-L138 HydrophobicContact CD2-CD2 4.37Å; R133-L138 HydrophobicContact CB-CD2 3.91Å; R133-L138 HydrophobicContact CB-CG 3.86Å; S134-L138 PolarHBondContact O-N 3.13Å; Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 3.07Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.36Å; L138-A141 PolarHBondContact O-N 3.3Å; L138-T142 PolarHBondContact O-N 3.12Å; L138-T142 PolarHBondContact O-OG1 2.95Å |
| 139 | T | 84 | Confident | 79.1 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | P135 Q136 T142 L143 P160 | P135-T139 PolarHBondContact O-N 3.01Å; P135-T139 PolarHBondContact O-OG1 3.03Å; Q136-T139 WeakPolarHBondContact O-CB 3.5Å; Q136-T139 PolarHBondContact O-N 2.99Å; Q136-T139 VanDerWaalsContact O-N 3.17Å; T139-T142 VanDerWaalsContact O-CB 3.3Å; T139-T142 WeakPolarHBondContact O-CB 3.29Å; T139-T142 PolarHBondContact O-N 3.09Å; T139-L143 HydrophobicContact CG2-CD1 4.31Å; T139-L143 WeakPolarHBondContact O-CG 3.46Å; T139-L143 PolarHBondContact O-N 3.28Å; T139-P160 HydrophobicContact CG2-CG 3.76Å |
| 140 | E | 82.6 | Confident | 79.8 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.3 | -70.6 | -179.7 | 165.1 | 0 | 0 | 113.2 | Q136 L138 T142 L143 S144 K500 | Q136-E140 VanDerWaalsContact O-CG 3.31Å; Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.23Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.36Å; E140-T142 PolarHBondContact O-N 2.95Å; E140-L143 PolarHBondContact O-N 3.35Å; E140-S144 WeakPolarHBondContact O-CB 3.38Å; E140-S144 PolarHBondContact O-N 3.35Å; E140-K500 IonicContact OE1-NZ 2.97Å; E140-K500 PolarHBondContact OE1-NZ 3.2Å; E140-K500 IonicContact OE2-NZ 3.82Å |
| 141 | A | 83.9 | Confident | 80.7 | Confident | 15 Ų | 15 | 53 Ų | 53 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M69 L137 L138 S144 S145 | M69-A141 HydrophobicContact CE-CB 3.56Å; L137-A141 WeakPolarHBondContact O-CB 3.4Å; L137-A141 PolarHBondContact O-N 2.82Å; L138-A141 PolarHBondContact O-N 3.3Å; A141-S144 PolarHBondContact O-N 2.84Å; A141-S144 PolarHBondContact O-OG 3.13Å; A141-S145 PolarHBondContact O-N 3.02Å; A141-S145 VanDerWaalsContact O-N 3.1Å |
| 142 | T | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | 175.3 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | W122 L138 T139 E140 S144 S145 L146 P160 L164 | W122-T142 HydrophobicContact CH2-CG2 4.31Å; W122-T142 WeakPolarHBondContact CH2-OG1 3.3Å; W122-T142 HydrophobicContact CZ2-CG2 4.45Å; W122-T142 WeakPolarHBondContact CZ2-OG1 3.49Å; L138-T142 PolarHBondContact O-N 3.12Å; L138-T142 PolarHBondContact O-OG1 2.95Å; T139-T142 VanDerWaalsContact O-CB 3.3Å; T139-T142 WeakPolarHBondContact O-CB 3.29Å; T139-T142 PolarHBondContact O-N 3.09Å; E140-T142 PolarHBondContact O-N 2.95Å; T142-S144 PolarHBondContact O-N 2.77Å; T142-S145 PolarHBondContact O-N 3.34Å; T142-S145 VanDerWaalsContact O-N 3.16Å; T142-S145 PolarHBondContact O-OG 3.35Å; T142-L146 HydrophobicContact CG2-CD1 4.48Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.37Å; T142-L146 VanDerWaalsContact O-N 3.15Å; T142-P160 HydrophobicContact CG2-CB 3.98Å; T142-P160 HydrophobicContact CG2-CG 4.23Å; T142-L164 HydrophobicContact CG2-CB 3.94Å; T142-L164 HydrophobicContact CG2-CD2 3.85Å; T142-L164 HydrophobicContact CG2-CG 4.45Å |
| 143 | L | 89.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 176.4 | -68.8 | 172.7 | 0 | 0 | 0 | 110.6 | T139 E140 L146 L147 V153 V157 P160 | T139-L143 HydrophobicContact CG2-CD1 4.31Å; T139-L143 WeakPolarHBondContact O-CG 3.46Å; T139-L143 PolarHBondContact O-N 3.28Å; E140-L143 PolarHBondContact O-N 3.35Å; L143-L146 PolarHBondContact O-N 2.91Å; L143-L147 PolarHBondContact O-N 3.14Å; L143-V153 HydrophobicContact CD2-CB 4.4Å; L143-V153 HydrophobicContact CD2-CG1 3.76Å; L143-V157 HydrophobicContact CD2-CB 4.49Å; L143-P160 HydrophobicContact CD2-CB 3.77Å; L143-P160 HydrophobicContact CD2-CG 4.09Å; L143-P160 HydrophobicContact CG-CB 4.39Å; L143-P160 HydrophobicContact CG-CG 4.29Å |
| 144 | S | 87.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.2 | -32.9 | 176.5 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | E140 A141 T142 L146 L147 | E140-S144 WeakPolarHBondContact O-CB 3.38Å; E140-S144 PolarHBondContact O-N 3.35Å; A141-S144 PolarHBondContact O-N 2.84Å; A141-S144 PolarHBondContact O-OG 3.13Å; T142-S144 PolarHBondContact O-N 2.77Å; S144-L146 VanDerWaalsContact C-N 3.34Å; S144-L147 WeakPolarHBondContact O-CB 3.3Å; S144-L147 WeakPolarHBondContact O-CG 3.16Å; S144-L147 PolarHBondContact O-N 2.65Å |
| 145 | S | 89.2 | Confident | 86.4 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.7 | -25.7 | 176.3 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | A141 T142 L147 L164 R167 | A141-S145 PolarHBondContact O-N 3.02Å; A141-S145 VanDerWaalsContact O-N 3.1Å; T142-S145 PolarHBondContact O-N 3.34Å; T142-S145 VanDerWaalsContact O-N 3.16Å; T142-S145 PolarHBondContact O-OG 3.35Å; S145-L147 VanDerWaalsContact C-N 3.28Å; S145-L147 PolarHBondContact O-N 3.12Å; S145-L164 WeakPolarHBondContact OG-CD1 3.34Å; S145-R167 PolarHBondContact O-NH1 2.95Å |
| 146 | L | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -3.6 | 174.9 | -67.5 | 172.4 | 0 | 0 | 0 | 114 | T142 L143 S144 L148 V153 P160 L163 L164 H194 | T142-L146 HydrophobicContact CG2-CD1 4.48Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.37Å; T142-L146 VanDerWaalsContact O-N 3.15Å; L143-L146 PolarHBondContact O-N 2.91Å; S144-L146 VanDerWaalsContact C-N 3.34Å; L146-L148 PolarHBondContact O-N 3.27Å; L146-V153 HydrophobicContact CB-CG2 4.02Å; L146-P160 HydrophobicContact CD1-CB 4.06Å; L146-L163 HydrophobicContact CD1-CD2 4.28Å; L146-L163 HydrophobicContact CD2-CD2 4.29Å; L146-L163 HydrophobicContact CD2-CG 4.42Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; L146-H194 PolarHBondContact O-CE1 3.45Å; L146-H194 PolarHBondContact O-NE2 2.92Å |
| 147 | L | 91.8 | Very high | 87.9 | Confident | 81 Ų | 81 | 34 Ų | 34 | 42% | 0.424 | 20% | 0.203 | S | C | . | . | trans | -67.1 | 128.5 | 173.8 | -62.7 | 172.4 | 0 | 0 | 0 | 110.5 | L143 S144 S145 E151 V153 | L143-L147 PolarHBondContact O-N 3.14Å; S144-L147 WeakPolarHBondContact O-CB 3.3Å; S144-L147 WeakPolarHBondContact O-CG 3.16Å; S144-L147 PolarHBondContact O-N 2.65Å; S145-L147 VanDerWaalsContact C-N 3.28Å; S145-L147 PolarHBondContact O-N 3.12Å; L147-E151 WeakPolarHBondContact CD2-O 3.48Å; L147-V153 HydrophobicContact CD2-CG2 4.25Å | ||
| 148 | L | 92.2 | Very high | 88.4 | Confident | 10 Ų | 10 | 32.8 Ų | 32.8 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -129 | 142.2 | 175.7 | -63.8 | 179.2 | 0 | 0 | 0 | 109.8 | L146 G150 E151 H194 L198 L205 | L146-L148 PolarHBondContact O-N 3.27Å; L148-G150 PolarHBondContact O-N 2.92Å; L148-E151 WeakPolarHBondContact O-CB 3.44Å; L148-E151 PolarHBondContact O-N 3.27Å; L148-H194 WeakPolarHBondContact CD1-CE1 3.34Å; L148-L198 HydrophobicContact CB-CD1 4.42Å; L148-L205 HydrophobicContact CD1-CD1 4.04Å; L148-L205 HydrophobicContact CD1-CD2 3.58Å; L148-L205 HydrophobicContact CD1-CG 3.57Å |
| 149 | D | 89.2 | Confident | 88.9 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 31.3 | 174.9 | -57.4 | -49 | 0 | 0 | 0 | 114.7 | E151 S202 P203 Q204 I560 | D149-E151 PolarHBondContact O-N 3.07Å; D149-S202 WeakPolarHBondContact OD2-CA 3.32Å; D149-S202 WeakPolarHBondContact OD2-CB 3.23Å; D149-S202 PolarHBondContact OD2-OG 3.02Å; D149-P203 VanDerWaalsContact OD2-CD 3.23Å; D149-P203 WeakPolarHBondContact OD2-CD 3.2Å; D149-Q204 VanDerWaalsContact OD1-CD 3.31Å; D149-Q204 VanDerWaalsContact OD1-CG 3.32Å; D149-Q204 WeakPolarHBondContact OD1-CG 3.4Å; D149-Q204 PolarHBondContact OD1-NE2 3.45Å; D149-Q204 PolarHBondContact OD2-N 3.02Å; D149-Q204 VanDerWaalsContact OD2-N 3.09Å; D149-I560 WeakPolarHBondContact O-CG2 3.46Å |
| 150 | G | 83.9 | Confident | 89.3 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L148 R529 | L148-G150 PolarHBondContact O-N 2.92Å; G150-R529 WeakPolarHBondContact CA-O 3.18Å |
| 151 | E | 89.1 | Confident | 89.7 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -90.6 | 139.2 | -179.4 | -59.3 | -55.6 | 156.6 | 0 | 0 | 111.4 | L147 L148 D149 L198 A200 N561 | L147-E151 WeakPolarHBondContact CD2-O 3.48Å; L148-E151 WeakPolarHBondContact O-CB 3.44Å; L148-E151 PolarHBondContact O-N 3.27Å; D149-E151 PolarHBondContact O-N 3.07Å; E151-L198 HydrophobicContact CB-CD2 4.41Å; E151-A200 HydrophobicContact CG-CB 4.02Å; E151-A200 WeakPolarHBondContact OE2-CB 3.27Å; E151-N561 PolarHBondContact OE1-ND2 3.31Å |
| 152 | S | 87.8 | Confident | 90.2 | Very high | 34 Ų | 34 | 28.1 Ų | 28.1 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 150.5 | -179.3 | 83.6 | 0 | 0 | 0 | 0 | 112.1 | L198 E199 | S152-L198 WeakPolarHBondContact O-CA 3.43Å; S152-E199 PolarHBondContact O-N 3.3Å; S152-E199 WeakPolarHBondContact OG-CG 3.48Å; S152-E199 PolarHBondContact OG-OE1 3.38Å; S152-E199 PolarHBondContact OG-OE2 3.41Å |
| 153 | V | 91.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 142.2 | 175 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | L143 L146 L147 S155 V157 I197 L198 | L143-V153 HydrophobicContact CD2-CB 4.4Å; L143-V153 HydrophobicContact CD2-CG1 3.76Å; L146-V153 HydrophobicContact CB-CG2 4.02Å; L147-V153 HydrophobicContact CD2-CG2 4.25Å; V153-S155 PolarHBondContact O-N 3.11Å; V153-V157 HydrophobicContact CG1-CG2 4.29Å; V153-I197 WeakPolarHBondContact CA-O 3.37Å; V153-I197 HydrophobicContact CG1-CB 4.19Å; V153-I197 HydrophobicContact CG1-CD1 3.69Å; V153-I197 HydrophobicContact CG1-CG1 4.04Å; V153-L198 HydrophobicContact CG2-CD2 3.7Å |
| 154 | Y | 92.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 11% | 0.114 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 128.2 | 174 | 179.3 | -119.1 | 0 | 0 | 0 | 111.8 | L156 V157 I197 W444 L470 L472 | Y154-L156 VanDerWaalsContact C-N 3.33Å; Y154-L156 HydrophobicContact CD1-CB 4.4Å; Y154-L156 HydrophobicContact CE1-CB 3.66Å; Y154-L156 PolarHBondContact O-N 3.31Å; Y154-V157 HydrophobicContact CD1-CG2 3.9Å; Y154-V157 HydrophobicContact CG-CG2 4.43Å; Y154-V157 VanDerWaalsContact O-CG2 3.3Å; Y154-V157 WeakPolarHBondContact O-CG2 3.47Å; Y154-V157 PolarHBondContact O-N 2.74Å; Y154-I197 PolarHBondContact N-O 3.45Å; Y154-W444 AromaticContact CD1-CD2 3.73Å; Y154-W444 HydrophobicContact CD1-CD2 3.73Å; Y154-W444 AromaticContact CD1-CE2 3.92Å; Y154-W444 AromaticContact CD1-CE3 3.94Å; Y154-W444 HydrophobicContact CD1-CE3 3.94Å; Y154-W444 HydrophobicContact CD1-CG 4.1Å; Y154-W444 HydrophobicContact CD1-CZ2 4.33Å; Y154-W444 HydrophobicContact CD1-CZ3 4.32Å; Y154-W444 HydrophobicContact CE1-CB 3.88Å; Y154-W444 AromaticContact CE1-CD2 3.59Å; Y154-W444 HydrophobicContact CE1-CD2 3.59Å; Y154-W444 AromaticContact CE1-CE3 3.75Å; Y154-W444 HydrophobicContact CE1-CE3 3.75Å; Y154-W444 AromaticContact CE1-CG 3.65Å; Y154-W444 HydrophobicContact CE1-CG 3.65Å; Y154-W444 HydrophobicContact CE1-CZ3 4.5Å; Y154-W444 AromaticContact CZ-CG 3.9Å; Y154-L470 PolarHBondContact OH-O 3.36Å; Y154-L472 HydrophobicContact CD2-CD2 4.42Å; Y154-L472 HydrophobicContact CE2-CD2 3.92Å; Y154-L472 HydrophobicContact CE2-CG 4.47Å |
| 155 | S | 88.4 | Confident | 91.1 | Very high | 58 Ų | 58 | 23.5 Ų | 23.5 | 41% | 0.406 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.9 | -167.4 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | V153 Q471 | V153-S155 PolarHBondContact O-N 3.11Å; S155-Q471 PolarHBondContact OG-OE1 2.96Å |
| 156 | L | 90.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 21.9 Ų | 21.9 | 34% | 0.34 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 19.1 | -176 | -60.8 | 179.6 | 0 | 0 | 0 | 113.3 | Y154 V158 Q469 L470 Q471 | Y154-L156 VanDerWaalsContact C-N 3.33Å; Y154-L156 HydrophobicContact CD1-CB 4.4Å; Y154-L156 HydrophobicContact CE1-CB 3.66Å; Y154-L156 PolarHBondContact O-N 3.31Å; L156-V158 PolarHBondContact O-N 3.31Å; L156-Q469 WeakPolarHBondContact CD1-O 3.26Å; L156-L470 WeakPolarHBondContact CD1-O 3.31Å; L156-Q471 HydrophobicContact CD1-CB 4.2Å; L156-Q471 HydrophobicContact CD1-CG 4Å; L156-Q471 HydrophobicContact CG-CG 4.37Å |
| 157 | V | 91.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | trans | -57.9 | 126.9 | 170.7 | 169.9 | 0 | 0 | 0 | 0 | 109.4 | F107 L143 V153 Y154 P160 I197 W444 | F107-V157 HydrophobicContact CE2-CG1 3.44Å; F107-V157 VanDerWaalsContact CE2-CG1 3.44Å; F107-V157 HydrophobicContact CZ-CG1 3.56Å; L143-V157 HydrophobicContact CD2-CB 4.49Å; V153-V157 HydrophobicContact CG1-CG2 4.29Å; Y154-V157 HydrophobicContact CD1-CG2 3.9Å; Y154-V157 HydrophobicContact CG-CG2 4.43Å; Y154-V157 VanDerWaalsContact O-CG2 3.3Å; Y154-V157 WeakPolarHBondContact O-CG2 3.47Å; Y154-V157 PolarHBondContact O-N 2.74Å; V157-P160 HydrophobicContact CG1-CB 4.31Å; V157-I197 HydrophobicContact CG2-CB 4.08Å; V157-I197 HydrophobicContact CG2-CG2 3.9Å; V157-W444 HydrophobicContact CG2-CH2 4.41Å | ||
| 158 | V | 90.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 19.9 Ų | 19.9 | 35% | 0.345 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -84.8 | 135.5 | 179.8 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | N111 L156 | N111-V158 PolarHBondContact ND2-O 2.84Å; N111-V158 PolarHBondContact OD1-N 2.98Å; L156-V158 PolarHBondContact O-N 3.31Å |
| 159 | N | 90.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 19.4 Ų | 19.4 | 17% | 0.166 | 12% | 0.115 | C | C | . | . | trans | 54.1 | 51.8 | 179 | -58.4 | -36.9 | 0 | 0 | 0 | 115.2 | S110 V117 F161 L162 | S110-N159 PolarHBondContact OG-ND2 3.46Å; V117-N159 PolarHBondContact O-ND2 3.06Å; N159-F161 PolarHBondContact O-N 2.85Å; N159-L162 HydrophobicContact CB-CD1 3.68Å; N159-L162 HydrophobicContact CB-CG 4.04Å; N159-L162 PolarHBondContact O-N 3.22Å; N159-L162 VanDerWaalsContact O-N 3.1Å | ||
| 160 | P | 92.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -19.8 | -178 | 26.4 | -34.4 | 0 | 0 | 0 | 113.6 | T139 T142 L143 L146 V157 L162 L163 L164 | T139-P160 HydrophobicContact CG2-CG 3.76Å; T142-P160 HydrophobicContact CG2-CB 3.98Å; T142-P160 HydrophobicContact CG2-CG 4.23Å; L143-P160 HydrophobicContact CD2-CB 3.77Å; L143-P160 HydrophobicContact CD2-CG 4.09Å; L143-P160 HydrophobicContact CG-CB 4.39Å; L143-P160 HydrophobicContact CG-CG 4.29Å; L146-P160 HydrophobicContact CD1-CB 4.06Å; V157-P160 HydrophobicContact CG1-CB 4.31Å; P160-L162 VanDerWaalsContact C-N 3.29Å; P160-L162 PolarHBondContact O-N 3.14Å; P160-L163 PolarHBondContact O-N 3.28Å; P160-L164 PolarHBondContact O-N 3Å; P160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | F | 91.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.022 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -35.5 | 175.7 | -175.1 | -112.2 | 0 | 0 | 0 | 113.2 | L73 M121 W122 L125 N159 L163 L164 L165 | L73-F161 HydrophobicContact CD1-CE2 3.92Å; L73-F161 HydrophobicContact CD1-CZ 4.17Å; L73-F161 HydrophobicContact CD2-CZ 4.33Å; M121-F161 HydrophobicContact CB-CD1 3.64Å; M121-F161 HydrophobicContact CB-CE1 3.73Å; M121-F161 HydrophobicContact CG-CD1 4.44Å; W122-F161 HydrophobicContact CD2-CD2 4.36Å; W122-F161 HydrophobicContact CD2-CG 4.38Å; W122-F161 AromaticContact CE3-CD2 3.92Å; W122-F161 HydrophobicContact CE3-CD2 3.92Å; W122-F161 AromaticContact CE3-CE2 3.96Å; W122-F161 HydrophobicContact CE3-CE2 3.96Å; W122-F161 HydrophobicContact CE3-CG 4.36Å; W122-F161 HydrophobicContact CE3-CZ 4.5Å; W122-F161 HydrophobicContact CH2-CB 3.87Å; W122-F161 AromaticContact CH2-CD2 3.05Å; W122-F161 HydrophobicContact CH2-CD2 3.05Å; W122-F161 AromaticContact CH2-CE2 3.73Å; W122-F161 HydrophobicContact CH2-CE2 3.73Å; W122-F161 AromaticContact CH2-CG 3.7Å; W122-F161 HydrophobicContact CH2-CG 3.7Å; W122-F161 HydrophobicContact CZ2-CB 3.45Å; W122-F161 VanDerWaalsContact CZ2-CB 3.45Å; W122-F161 AromaticContact CZ2-CD2 3.6Å; W122-F161 HydrophobicContact CZ2-CD2 3.6Å; W122-F161 AromaticContact CZ2-CG 3.73Å; W122-F161 HydrophobicContact CZ2-CG 3.73Å; W122-F161 AromaticContact CZ3-CD2 3.23Å; W122-F161 HydrophobicContact CZ3-CD2 3.23Å; W122-F161 AromaticContact CZ3-CE2 3.38Å; W122-F161 HydrophobicContact CZ3-CE2 3.38Å; W122-F161 HydrophobicContact CZ3-CG 4.02Å; W122-F161 HydrophobicContact CZ3-CZ 4.32Å; L125-F161 HydrophobicContact CD1-CE2 4.28Å; L125-F161 HydrophobicContact CD1-CZ 4.18Å; N159-F161 PolarHBondContact O-N 2.85Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 3.35Å; F161-L164 HydrophobicContact CD2-CD2 4.41Å; F161-L164 WeakPolarHBondContact O-CB 3.48Å; F161-L164 PolarHBondContact O-N 3.46Å; F161-L164 VanDerWaalsContact O-N 3.17Å; F161-L165 HydrophobicContact CE1-CD2 4.37Å; F161-L165 WeakPolarHBondContact O-CB 3.46Å; F161-L165 PolarHBondContact O-N 3.38Å |
| 162 | L | 94.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 179.3 | -63.3 | 177 | 0 | 0 | 0 | 110.5 | L48 C103 L106 F107 L119 M121 N159 P160 L165 A166 | L48-L162 HydrophobicContact CD1-CD2 3.53Å; C103-L162 HydrophobicContact CB-CB 4.32Å; C103-L162 WeakPolarHBondContact CB-O 3.31Å; L106-L162 HydrophobicContact CB-CD1 3.63Å; F107-L162 HydrophobicContact CB-CB 4.16Å; F107-L162 HydrophobicContact CD2-CB 4.48Å; L119-L162 HydrophobicContact CD2-CD2 4.4Å; M121-L162 HydrophobicContact CG-CD2 4.2Å; N159-L162 HydrophobicContact CB-CD1 3.68Å; N159-L162 HydrophobicContact CB-CG 4.04Å; N159-L162 PolarHBondContact O-N 3.22Å; N159-L162 VanDerWaalsContact O-N 3.1Å; P160-L162 VanDerWaalsContact C-N 3.29Å; P160-L162 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 3.41Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 3.17Å |
| 163 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 175.9 | -168.8 | 70.1 | 0 | 0 | 0 | 111.7 | L104 F107 L146 P160 F161 A166 R167 Y190 L193 H194 I197 | L104-L163 HydrophobicContact CD2-CD1 4.29Å; F107-L163 HydrophobicContact CD1-CB 4.26Å; F107-L163 HydrophobicContact CD1-CD1 3.95Å; F107-L163 HydrophobicContact CD2-CB 4.06Å; F107-L163 HydrophobicContact CE1-CB 4.18Å; F107-L163 HydrophobicContact CE1-CD1 3.96Å; F107-L163 HydrophobicContact CE1-CD2 3.86Å; F107-L163 HydrophobicContact CE1-CG 4.22Å; F107-L163 HydrophobicContact CE2-CB 3.98Å; F107-L163 HydrophobicContact CG-CB 4.2Å; F107-L163 HydrophobicContact CZ-CB 4.04Å; F107-L163 HydrophobicContact CZ-CD2 3.84Å; F107-L163 HydrophobicContact CZ-CG 4.38Å; L146-L163 HydrophobicContact CD1-CD2 4.28Å; L146-L163 HydrophobicContact CD2-CD2 4.29Å; L146-L163 HydrophobicContact CD2-CG 4.42Å; P160-L163 PolarHBondContact O-N 3.28Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 3.35Å; L163-A166 PolarHBondContact O-N 3.32Å; L163-R167 WeakPolarHBondContact O-CB 3.43Å; L163-R167 PolarHBondContact O-N 2.79Å; L163-Y190 HydrophobicContact CD1-CD2 3.63Å; L163-Y190 HydrophobicContact CD1-CE2 3.82Å; L163-Y190 HydrophobicContact CG-CD2 4.33Å; L163-Y190 HydrophobicContact CG-CE2 4.03Å; L163-L193 HydrophobicContact CD1-CB 4.36Å; L163-H194 HydrophobicContact CD2-CB 4.17Å; L163-I197 HydrophobicContact CD2-CD1 3.37Å; L163-I197 HydrophobicContact CD2-CG1 4.41Å |
| 164 | L | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.9 | -174.2 | 65.3 | 0 | 0 | 0 | 112 | E70 T142 S145 L146 P160 F161 R167 V168 | E70-L164 HydrophobicContact CG-CD1 3.53Å; E70-L164 HydrophobicContact CG-CD2 4.28Å; E70-L164 HydrophobicContact CG-CG 4.17Å; E70-L164 WeakPolarHBondContact OE1-CD1 3.22Å; T142-L164 HydrophobicContact CG2-CB 3.94Å; T142-L164 HydrophobicContact CG2-CD2 3.85Å; T142-L164 HydrophobicContact CG2-CG 4.45Å; S145-L164 WeakPolarHBondContact OG-CD1 3.34Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; P160-L164 PolarHBondContact O-N 3Å; P160-L164 VanDerWaalsContact O-N 3.1Å; F161-L164 HydrophobicContact CD2-CD2 4.41Å; F161-L164 WeakPolarHBondContact O-CB 3.48Å; F161-L164 PolarHBondContact O-N 3.46Å; F161-L164 VanDerWaalsContact O-N 3.17Å; L164-R167 WeakPolarHBondContact O-CB 3.31Å; L164-R167 PolarHBondContact O-N 2.93Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.26Å |
| 165 | L | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.9 | -179.4 | 56.1 | 0 | 0 | 0 | 110.9 | L57 L73 L77 F161 L162 R167 V168 I169 | L57-L165 HydrophobicContact CD2-CD1 3.98Å; L57-L165 HydrophobicContact CD2-CD2 4.11Å; L73-L165 HydrophobicContact CD1-CD1 4.23Å; L73-L165 HydrophobicContact CD2-CD1 4.16Å; L77-L165 HydrophobicContact CD1-CD1 4.36Å; F161-L165 HydrophobicContact CE1-CD2 4.37Å; F161-L165 WeakPolarHBondContact O-CB 3.46Å; F161-L165 PolarHBondContact O-N 3.38Å; L162-L165 PolarHBondContact O-N 3.41Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.98Å; L165-V168 PolarHBondContact O-N 3.46Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.36Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CG1 3.15Å; L165-I169 PolarHBondContact O-N 3.43Å |
| 166 | A | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C103 L104 L162 L163 I169 L170 | C103-A166 HydrophobicContact CB-CB 4.06Å; L104-A166 HydrophobicContact CD2-CB 3.65Å; L104-A166 HydrophobicContact CG-CB 4.03Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 3.17Å; L163-A166 PolarHBondContact O-N 3.32Å; A166-I169 PolarHBondContact O-N 3.42Å; A166-L170 HydrophobicContact CB-CD1 4.4Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 VanDerWaalsContact O-CG 3.3Å; A166-L170 WeakPolarHBondContact O-CG 3.08Å; A166-L170 PolarHBondContact O-N 2.88Å |
| 167 | R | 95.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 22.5 Ų | 22.5 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -52.5 | 174.1 | 176.5 | -176.5 | -176.1 | -173.7 | 10.9 | 111.3 | E70 S145 L163 L164 L165 I169 L170 T171 Y190 | E70-R167 IonicContact OE1-CZ 3.52Å; E70-R167 IonicContact OE1-NH1 3.73Å; E70-R167 PolarHBondContact OE1-NH1 3.08Å; E70-R167 IonicContact OE2-NH1 2.65Å; S145-R167 PolarHBondContact O-NH1 2.95Å; L163-R167 WeakPolarHBondContact O-CB 3.43Å; L163-R167 PolarHBondContact O-N 2.79Å; L164-R167 WeakPolarHBondContact O-CB 3.31Å; L164-R167 PolarHBondContact O-N 2.93Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.98Å; R167-I169 VanDerWaalsContact C-N 3.31Å; R167-I169 PolarHBondContact O-N 3.23Å; R167-L170 PolarHBondContact O-N 2.95Å; R167-T171 HydrophobicContact CG-CG2 4.41Å; R167-T171 VanDerWaalsContact O-CB 3.32Å; R167-T171 WeakPolarHBondContact O-CB 3.36Å; R167-T171 PolarHBondContact O-N 3.22Å; R167-T171 PolarHBondContact O-OG1 3.33Å; R167-Y190 HydrophobicContact CB-CE1 4.36Å; R167-Y190 HydrophobicContact CB-CE2 3.7Å; R167-Y190 WeakPolarHBondContact CB-OH 3.2Å; R167-Y190 VanDerWaalsContact CD-OH 3.31Å; R167-Y190 WeakPolarHBondContact CD-OH 3.34Å; R167-Y190 HydrophobicContact CG-CE1 4.32Å; R167-Y190 HydrophobicContact CG-CE2 4.37Å; R167-Y190 WeakPolarHBondContact CG-OH 3.1Å |
| 168 | V | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -58.7 | -46.3 | -177.9 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | E70 L73 E74 L77 L164 L165 K172 C173 | E70-V168 HydrophobicContact CB-CG2 4.29Å; E70-V168 HydrophobicContact CG-CG2 4.28Å; L73-V168 HydrophobicContact CB-CG1 4.1Å; L73-V168 HydrophobicContact CB-CG2 4.3Å; L73-V168 HydrophobicContact CD1-CG2 4.47Å; E74-V168 HydrophobicContact CB-CG1 3.86Å; L77-V168 HydrophobicContact CD1-CB 4.45Å; L77-V168 HydrophobicContact CD1-CG1 3.73Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.26Å; L165-V168 PolarHBondContact O-N 3.46Å; V168-K172 WeakPolarHBondContact O-CB 3.39Å; V168-K172 PolarHBondContact O-N 2.94Å; V168-K172 VanDerWaalsContact O-N 3.09Å; V168-C173 PolarHBondContact O-N 2.86Å |
| 169 | I | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -63.1 | -53.8 | 179.6 | -63.6 | 165.7 | 0 | 0 | 0 | 111.5 | L77 V96 M99 A100 L165 A166 R167 S174 M177 | L77-I169 HydrophobicContact CD1-CG1 3.52Å; L77-I169 HydrophobicContact CD2-CG1 4.1Å; L77-I169 HydrophobicContact CG-CG1 4.48Å; V96-I169 HydrophobicContact CG1-CB 4.4Å; V96-I169 HydrophobicContact CG1-CG1 4.25Å; V96-I169 HydrophobicContact CG1-CG2 3.33Å; M99-I169 HydrophobicContact CB-CD1 4.16Å; M99-I169 HydrophobicContact CE-CD1 4.47Å; A100-I169 HydrophobicContact CB-CB 4.23Å; A100-I169 HydrophobicContact CB-CD1 4.14Å; A100-I169 HydrophobicContact CB-CG2 3.77Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.36Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CG1 3.15Å; L165-I169 PolarHBondContact O-N 3.43Å; A166-I169 PolarHBondContact O-N 3.42Å; R167-I169 VanDerWaalsContact C-N 3.31Å; R167-I169 PolarHBondContact O-N 3.23Å; I169-S174 PolarHBondContact O-N 3.29Å; I169-M177 HydrophobicContact CG2-CE 3.91Å; I169-M177 VanDerWaalsContact O-CE 3.26Å; I169-M177 WeakPolarHBondContact O-CE 3.44Å |
| 170 | L | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -80.1 | -20 | -169.2 | -65.8 | 171.5 | 0 | 0 | 0 | 114 | A100 L104 A166 R167 S174 L183 W186 T187 Y190 | A100-L170 HydrophobicContact CB-CD2 4.07Å; A100-L170 HydrophobicContact CB-CG 4.16Å; L104-L170 HydrophobicContact CD1-CD1 3.81Å; L104-L170 HydrophobicContact CG-CD1 4.45Å; A166-L170 HydrophobicContact CB-CD1 4.4Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 VanDerWaalsContact O-CG 3.3Å; A166-L170 WeakPolarHBondContact O-CG 3.08Å; A166-L170 PolarHBondContact O-N 2.88Å; R167-L170 PolarHBondContact O-N 2.95Å; L170-S174 WeakPolarHBondContact O-CB 3.44Å; L170-L183 HydrophobicContact CD2-CD1 3.63Å; L170-L183 HydrophobicContact CD2-CG 4.2Å; L170-W186 HydrophobicContact CD1-CB 4.45Å; L170-W186 HydrophobicContact CD2-CB 3.88Å; L170-T187 PolarHBondContact O-OG1 2.77Å; L170-Y190 HydrophobicContact CD1-CG 4.38Å |
| 171 | T | 93.1 | Very high | 92 | Very high | 34 Ų | 34 | 36 Ų | 36 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -108.8 | -59.8 | -179.1 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | R167 S174 T187 Y190 L208 | R167-T171 HydrophobicContact CG-CG2 4.41Å; R167-T171 VanDerWaalsContact O-CB 3.32Å; R167-T171 WeakPolarHBondContact O-CB 3.36Å; R167-T171 PolarHBondContact O-N 3.22Å; R167-T171 PolarHBondContact O-OG1 3.33Å; T171-S174 PolarHBondContact O-OG 3.01Å; T171-T187 HydrophobicContact CG2-CG2 4.39Å; T171-Y190 HydrophobicContact CG2-CD1 4.25Å; T171-Y190 HydrophobicContact CG2-CE1 3.82Å; T171-L208 HydrophobicContact CG2-CD2 3.69Å |
| 172 | K | 91.8 | Very high | 92 | Very high | 72 Ų | 72 | 35.7 Ų | 35.7 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -77.3 | -40.2 | -172.3 | -57.4 | -168.7 | 172.9 | 178.3 | 0 | 112.9 | E70 E74 V168 | E70-K172 WeakPolarHBondContact OE2-CE 3.25Å; E70-K172 IonicContact OE2-NZ 2.92Å; E70-K172 PolarHBondContact OE2-NZ 3.34Å; E74-K172 HydrophobicContact CB-CD 4.48Å; E74-K172 HydrophobicContact CG-CB 4.13Å; E74-K172 HydrophobicContact CG-CD 4.37Å; E74-K172 VanDerWaalsContact OE2-CD 3.27Å; E74-K172 WeakPolarHBondContact OE2-CD 3.48Å; E74-K172 IonicContact OE2-NZ 2.68Å; V168-K172 WeakPolarHBondContact O-CB 3.39Å; V168-K172 PolarHBondContact O-N 2.94Å; V168-K172 VanDerWaalsContact O-N 3.09Å |
| 173 | C | 91.9 | Very high | 92 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -88.1 | -5.4 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 114 | L81 V168 A175 K176 M177 | L81-C173 HydrophobicContact CD1-CB 4.24Å; V168-C173 PolarHBondContact O-N 2.86Å; C173-A175 VanDerWaalsContact C-N 3.27Å; C173-A175 PolarHBondContact O-N 2.9Å; C173-K176 PolarHBondContact O-N 3.02Å; C173-M177 HydrophobicContact CB-CE 4.14Å |
| 174 | S | 90.8 | Very high | 92 | Very high | 29 Ų | 29 | 36.7 Ų | 36.7 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -54.7 | -37.2 | -174.6 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | I169 L170 T171 K176 M177 | I169-S174 PolarHBondContact O-N 3.29Å; L170-S174 WeakPolarHBondContact O-CB 3.44Å; T171-S174 PolarHBondContact O-OG 3.01Å; S174-K176 PolarHBondContact O-N 2.84Å; S174-K176 VanDerWaalsContact O-N 3.11Å; S174-M177 PolarHBondContact O-N 3.48Å |
| 175 | A | 88.9 | Confident | 92.1 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 53% | 0.529 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -65.9 | -12.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C173 | C173-A175 VanDerWaalsContact C-N 3.27Å; C173-A175 PolarHBondContact O-N 2.9Å |
| 176 | K | 89.1 | Confident | 92.2 | Very high | 121 Ų | 121 | 36.8 Ų | 36.8 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -99 | -1.7 | 175.1 | -62.7 | -56.6 | -175.7 | -176.6 | 0 | 113.4 | L78 L81 C173 S174 | L78-K176 HydrophobicContact CD2-CB 4.48Å; L78-K176 HydrophobicContact CD2-CG 3.62Å; L81-K176 HydrophobicContact CD1-CB 4.06Å; C173-K176 PolarHBondContact O-N 3.02Å; S174-K176 PolarHBondContact O-N 2.84Å; S174-K176 VanDerWaalsContact O-N 3.11Å |
| 177 | M | 88.6 | Confident | 92.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -119.2 | 36.8 | -177.7 | -61.4 | -177.3 | -76.5 | 0 | 0 | 111.4 | L81 E93 V96 I169 C173 S174 R179 L180 L183 | L81-M177 HydrophobicContact CD1-CG 4.11Å; L81-M177 HydrophobicContact CD1-SD 4.43Å; L81-M177 HydrophobicContact CD2-CG 4.21Å; E93-M177 HydrophobicContact CG-CG 4.3Å; V96-M177 HydrophobicContact CB-SD 4.19Å; V96-M177 HydrophobicContact CG1-CE 4.22Å; V96-M177 HydrophobicContact CG1-SD 3.63Å; I169-M177 HydrophobicContact CG2-CE 3.91Å; I169-M177 VanDerWaalsContact O-CE 3.26Å; I169-M177 WeakPolarHBondContact O-CE 3.44Å; C173-M177 HydrophobicContact CB-CE 4.14Å; S174-M177 PolarHBondContact O-N 3.48Å; M177-R179 PolarHBondContact O-N 3.33Å; M177-R179 VanDerWaalsContact O-N 3.1Å; M177-L180 HydrophobicContact CB-CD1 4.2Å; M177-L180 PolarHBondContact O-N 3.44Å; M177-L180 VanDerWaalsContact O-N 3.1Å; M177-L180 HydrophobicContact SD-CD1 4.37Å; M177-L183 HydrophobicContact CB-CD2 3.87Å; M177-L183 HydrophobicContact CE-CD2 3.7Å; M177-L183 HydrophobicContact SD-CD2 4.31Å | ||
| 178 | E | 84.9 | Confident | 92.3 | Very high | 165 Ų | 165 | 35.2 Ų | 35.2 | 77% | 0.771 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.1 | -176 | -65.6 | -176 | 167 | 0 | 0 | 114 | L180 | E178-L180 VanDerWaalsContact C-N 3.33Š|
| 179 | R | 87.1 | Confident | 92.4 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.3 | 175.9 | -51.9 | -176.8 | -178.5 | 136.4 | 1.1 | 112.8 | L2 N90 E93 M177 Q181 | L2-R179 HydrophobicContact CD1-CB 3.57Å; N90-R179 WeakPolarHBondContact OD1-CD 3.36Å; N90-R179 PolarHBondContact OD1-NH1 2.91Å; E93-R179 WeakPolarHBondContact OE1-CD 3.37Å; E93-R179 IonicContact OE1-CZ 3.57Å; E93-R179 IonicContact OE1-NE 3.75Å; E93-R179 IonicContact OE1-NH1 3.09Å; E93-R179 PolarHBondContact OE1-NH1 2.92Å; E93-R179 WeakPolarHBondContact OE2-CB 3.43Å; M177-R179 PolarHBondContact O-N 3.33Å; M177-R179 VanDerWaalsContact O-N 3.1Å; R179-Q181 PolarHBondContact O-N 3.47Å |
| 180 | L | 88.8 | Confident | 92.5 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | trans | -81.5 | 97.3 | 172.8 | -62.7 | 178.1 | 0 | 0 | 0 | 108.9 | L2 E6 E93 L94 L97 M177 E178 L182 L183 | L2-L180 HydrophobicContact CB-CD2 4.05Å; L2-L180 HydrophobicContact CD1-CD2 3.77Å; L2-L180 HydrophobicContact CD1-CG 4.37Å; L2-L180 HydrophobicContact CG-CD2 4.35Å; E6-L180 HydrophobicContact CG-CD2 3.99Å; E6-L180 WeakPolarHBondContact OE1-CA 3.27Å; E93-L180 HydrophobicContact CB-CD1 4.23Å; E93-L180 HydrophobicContact CB-CG 4.38Å; L94-L180 HydrophobicContact CD2-CD2 4.28Å; L97-L180 HydrophobicContact CB-CD1 4.04Å; L97-L180 HydrophobicContact CD1-CD1 4.48Å; L97-L180 HydrophobicContact CD2-CD1 4.35Å; L97-L180 HydrophobicContact CD2-CD2 4.23Å; M177-L180 HydrophobicContact CB-CD1 4.2Å; M177-L180 PolarHBondContact O-N 3.44Å; M177-L180 VanDerWaalsContact O-N 3.1Å; M177-L180 HydrophobicContact SD-CD1 4.37Å; E178-L180 VanDerWaalsContact C-N 3.33Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 2.79Å; L180-L183 HydrophobicContact CB-CB 3.84Å; L180-L183 HydrophobicContact CD1-CD1 4.21Å | ||
| 181 | Q | 89.3 | Confident | 92.6 | Very high | 95 Ų | 95 | 35.7 Ų | 35.7 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -29.1 | -172.5 | -65.2 | -174 | 7.2 | 0 | 0 | 112.4 | E6 R179 P184 | E6-Q181 PolarHBondContact OE1-N 2.99Å; E6-Q181 VanDerWaalsContact OE1-N 3.08Å; E6-Q181 PolarHBondContact OE2-N 3.26Å; R179-Q181 PolarHBondContact O-N 3.47Å; Q181-P184 WeakPolarHBondContact O-CD 3.45Å |
| 182 | L | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 5 | -175.5 | -52.7 | 176.4 | 0 | 0 | 0 | 112.8 | I3 E6 I7 L10 L180 P184 W185 C219 | I3-L182 HydrophobicContact CG1-CD1 4.45Å; E6-L182 HydrophobicContact CB-CB 4.43Å; E6-L182 HydrophobicContact CB-CD1 4.13Å; E6-L182 WeakPolarHBondContact OE1-CA 3.47Å; E6-L182 PolarHBondContact OE1-N 3.04Å; I7-L182 HydrophobicContact CG1-CD1 4.24Å; L10-L182 HydrophobicContact CD1-CB 3.57Å; L10-L182 HydrophobicContact CD1-CD1 3.47Å; L10-L182 VanDerWaalsContact CD1-CD1 3.47Å; L10-L182 HydrophobicContact CD1-CG 4.12Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 2.79Å; L182-P184 VanDerWaalsContact C-N 3.3Å; L182-W185 VanDerWaalsContact O-CB 3.3Å; L182-W185 WeakPolarHBondContact O-CB 3.29Å; L182-W185 PolarHBondContact O-N 2.62Å; L182-C219 HydrophobicContact CD2-CB 4.41Å |
| 183 | L | 93.8 | Very high | 93 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.5 | -40.4 | 170.1 | -171.5 | 73 | 0 | 0 | 0 | 113.6 | L97 L170 M177 L180 W185 W186 T187 | L97-L183 HydrophobicContact CD1-CD1 3.81Å; L170-L183 HydrophobicContact CD2-CD1 3.63Å; L170-L183 HydrophobicContact CD2-CG 4.2Å; M177-L183 HydrophobicContact CB-CD2 3.87Å; M177-L183 HydrophobicContact CE-CD2 3.7Å; M177-L183 HydrophobicContact SD-CD2 4.31Å; L180-L183 HydrophobicContact CB-CB 3.84Å; L180-L183 HydrophobicContact CD1-CD1 4.21Å; L183-W185 PolarHBondContact O-N 2.76Å; L183-W185 VanDerWaalsContact O-N 3.14Å; L183-W186 WeakPolarHBondContact O-CB 3.19Å; L183-W186 PolarHBondContact O-N 2.64Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 VanDerWaalsContact O-N 3.15Å; L183-T187 PolarHBondContact O-OG1 3.31Å |
| 184 | P | 95.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -24.3 | 177.3 | -23.5 | 35.3 | 0 | 0 | 0 | 113.8 | Q181 L182 T187 L188 R215 V216 | Q181-P184 WeakPolarHBondContact O-CD 3.45Å; L182-P184 VanDerWaalsContact C-N 3.3Å; P184-T187 WeakPolarHBondContact O-CB 3.45Å; P184-T187 PolarHBondContact O-N 3.32Å; P184-L188 PolarHBondContact O-N 2.88Å; P184-L188 VanDerWaalsContact O-N 3.07Å; P184-R215 HydrophobicContact CB-CB 4.02Å; P184-R215 HydrophobicContact CG-CB 3.87Å; P184-V216 HydrophobicContact CB-CG2 3.93Å |
| 185 | W | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | 174.2 | -165.2 | -7.5 | 0 | 0 | 0 | 111.3 | L10 L182 L183 T187 L188 R189 V216 L223 L229 Q232 F233 E236 | L10-W185 HydrophobicContact CD1-CE3 3.74Å; L10-W185 HydrophobicContact CD1-CZ3 4.07Å; L10-W185 HydrophobicContact CD2-CB 4.35Å; L10-W185 HydrophobicContact CD2-CD2 4Å; L10-W185 HydrophobicContact CD2-CE3 4.03Å; L10-W185 HydrophobicContact CD2-CG 4.19Å; L10-W185 HydrophobicContact CG-CE3 4.47Å; L182-W185 VanDerWaalsContact O-CB 3.3Å; L182-W185 WeakPolarHBondContact O-CB 3.29Å; L182-W185 PolarHBondContact O-N 2.62Å; L183-W185 PolarHBondContact O-N 2.76Å; L183-W185 VanDerWaalsContact O-N 3.14Å; W185-T187 VanDerWaalsContact C-N 3.25Å; W185-T187 PolarHBondContact O-N 3.21Å; W185-L188 WeakPolarHBondContact O-CB 3.47Å; W185-L188 PolarHBondContact O-N 3.35Å; W185-R189 PolarHBondContact O-N 3.03Å; W185-R189 VanDerWaalsContact O-N 3.14Å; W185-V216 HydrophobicContact CB-CG2 3.9Å; W185-L223 HydrophobicContact CZ3-CD1 4.47Å; W185-L223 HydrophobicContact CZ3-CD2 4.01Å; W185-L229 HydrophobicContact CH2-CB 4Å; W185-L229 HydrophobicContact CH2-CD2 4.11Å; W185-L229 WeakPolarHBondContact CH2-O 3.47Å; W185-L229 HydrophobicContact CZ3-CB 4.36Å; W185-Q232 HydrophobicContact CZ2-CB 4.23Å; W185-F233 HydrophobicContact CD2-CB 4.44Å; W185-F233 AromaticContact CD2-CD2 3.9Å; W185-F233 HydrophobicContact CD2-CD2 3.9Å; W185-F233 AromaticContact CE2-CD2 3.83Å; W185-F233 HydrophobicContact CE3-CD2 4.42Å; W185-F233 HydrophobicContact CG-CD2 4.13Å; W185-F233 HydrophobicContact CH2-CB 3.71Å; W185-F233 VanDerWaalsContact CZ2-CA 3.47Å; W185-F233 HydrophobicContact CZ2-CB 3.51Å; W185-F233 HydrophobicContact CZ2-CD2 4.36Å; W185-F233 HydrophobicContact CZ2-CG 4.44Å; W185-F233 HydrophobicContact CZ3-CB 4.23Å; W185-F233 AromaticContact NE1-CD2 3.93Å; W185-E236 VanDerWaalsContact NE1-CD 3.31Å; W185-E236 PolarHBondContact NE1-OE1 2.64Å; W185-E236 PolarHBondContact NE1-OE2 3.35Å |
| 186 | W | 96.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 170.3 | -72.2 | 107.7 | 0 | 0 | 0 | 112.5 | V9 L10 V101 L104 H105 L170 L183 L188 R189 Y190 Y436 | V9-W186 HydrophobicContact CG1-CZ2 3.91Å; V9-W186 WeakPolarHBondContact O-CZ2 3.29Å; L10-W186 HydrophobicContact CD2-CD2 4.2Å; L10-W186 HydrophobicContact CD2-CG 4.43Å; L10-W186 HydrophobicContact CD2-CZ2 3.9Å; L10-W186 HydrophobicContact CG-CZ2 4.3Å; V101-W186 HydrophobicContact CB-CH2 4.26Å; V101-W186 HydrophobicContact CB-CZ2 4.37Å; V101-W186 HydrophobicContact CB-CZ3 4.42Å; V101-W186 HydrophobicContact CG1-CH2 3.49Å; V101-W186 VanDerWaalsContact CG1-CH2 3.49Å; V101-W186 HydrophobicContact CG1-CZ2 3.84Å; V101-W186 HydrophobicContact CG1-CZ3 3.94Å; V101-W186 HydrophobicContact CG2-CD2 3.66Å; V101-W186 VanDerWaalsContact CG2-CE2 3.44Å; V101-W186 HydrophobicContact CG2-CE3 3.97Å; V101-W186 HydrophobicContact CG2-CG 4.24Å; V101-W186 HydrophobicContact CG2-CH2 3.88Å; V101-W186 HydrophobicContact CG2-CZ2 3.57Å; V101-W186 HydrophobicContact CG2-CZ3 4.07Å; L104-W186 HydrophobicContact CD1-CE3 3.98Å; H105-W186 AromaticContact NE2-CH2 3.52Å; H105-W186 AromaticContact NE2-CZ3 3.84Å; L170-W186 HydrophobicContact CD1-CB 4.45Å; L170-W186 HydrophobicContact CD2-CB 3.88Å; L183-W186 WeakPolarHBondContact O-CB 3.19Å; L183-W186 PolarHBondContact O-N 2.64Å; W186-L188 VanDerWaalsContact C-N 3.33Å; W186-L188 PolarHBondContact O-N 3.47Å; W186-R189 HydrophobicContact CE3-CB 4.46Å; W186-R189 PolarHBondContact O-N 3.26Å; W186-Y190 PolarHBondContact O-N 2.98Å; W186-Y436 HydrophobicContact CZ3-CE2 4.45Å |
| 187 | T | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -38.6 | 171.1 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | L170 T171 L183 P184 W185 Y190 I191 L208 | L170-T187 PolarHBondContact O-OG1 2.77Å; T171-T187 HydrophobicContact CG2-CG2 4.39Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 VanDerWaalsContact O-N 3.15Å; L183-T187 PolarHBondContact O-OG1 3.31Å; P184-T187 WeakPolarHBondContact O-CB 3.45Å; P184-T187 PolarHBondContact O-N 3.32Å; W185-T187 VanDerWaalsContact C-N 3.25Å; W185-T187 PolarHBondContact O-N 3.21Å; T187-Y190 WeakPolarHBondContact O-CB 3.5Å; T187-Y190 PolarHBondContact O-N 3.32Å; T187-I191 HydrophobicContact CG2-CD1 4.22Å; T187-I191 WeakPolarHBondContact O-CD1 3.35Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 3.48Å; T187-L208 HydrophobicContact CG2-CD1 4.48Å; T187-L208 HydrophobicContact CG2-CD2 4.03Å; T187-L208 HydrophobicContact CG2-CG 4.19Å |
| 188 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 173.2 | -66.5 | 172.8 | 0 | 0 | 0 | 112.3 | P184 W185 W186 Y190 I191 N192 A209 M213 F233 I240 | P184-L188 PolarHBondContact O-N 2.88Å; P184-L188 VanDerWaalsContact O-N 3.07Å; W185-L188 WeakPolarHBondContact O-CB 3.47Å; W185-L188 PolarHBondContact O-N 3.35Å; W186-L188 VanDerWaalsContact C-N 3.33Å; W186-L188 PolarHBondContact O-N 3.47Å; L188-Y190 PolarHBondContact O-N 3.23Å; L188-I191 HydrophobicContact CD2-CD1 4.44Å; L188-I191 PolarHBondContact O-N 3.36Å; L188-N192 PolarHBondContact O-N 2.83Å; L188-A209 HydrophobicContact CD2-CB 4.11Å; L188-M213 HydrophobicContact CD1-CG 4.02Å; L188-M213 HydrophobicContact CD2-CE 4.22Å; L188-M213 HydrophobicContact CD2-CG 3.8Å; L188-F233 HydrophobicContact CD1-CE2 3.79Å; L188-I240 HydrophobicContact CB-CD1 4.04Å; L188-I240 HydrophobicContact CD2-CD1 3.87Å; L188-I240 HydrophobicContact CG-CD1 4.47Å |
| 189 | R | 97.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 3% | 0.03 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.3 | -69.5 | 178 | 171.7 | -178.7 | -2.2 | 111.9 | L10 L104 W185 W186 N192 L193 E236 Y436 | L10-R189 PolarHBondContact O-NH1 3.4Å; L104-R189 HydrophobicContact CD1-CB 4.41Å; W185-R189 PolarHBondContact O-N 3.03Å; W185-R189 VanDerWaalsContact O-N 3.14Å; W186-R189 HydrophobicContact CE3-CB 4.46Å; W186-R189 PolarHBondContact O-N 3.26Å; R189-N192 PolarHBondContact O-N 3.15Å; R189-L193 WeakPolarHBondContact O-CG 3.3Å; R189-L193 PolarHBondContact O-N 2.93Å; R189-E236 VanDerWaalsContact CG-OE2 3.29Å; R189-E236 WeakPolarHBondContact CG-OE2 3.49Å; R189-E236 IonicContact CZ-OE1 2.8Å; R189-E236 IonicContact NE-OE1 2.74Å; R189-E236 PolarHBondContact NE-OE1 2.99Å; R189-E236 IonicContact NE-OE2 3.63Å; R189-E236 PolarHBondContact NE-OE2 2.89Å; R189-E236 IonicContact NH2-OE1 3.93Å; R189-E236 PolarHBondContact NH2-OE1 2.84Å; R189-Y436 HydrophobicContact CB-CD1 3.88Å; R189-Y436 HydrophobicContact CB-CE1 3.73Å; R189-Y436 HydrophobicContact CB-CG 4.4Å; R189-Y436 HydrophobicContact CG-CD1 3.73Å; R189-Y436 HydrophobicContact CG-CD2 4.09Å; R189-Y436 HydrophobicContact CG-CE1 4.02Å; R189-Y436 HydrophobicContact CG-CE2 4.35Å; R189-Y436 HydrophobicContact CG-CG 3.77Å |
| 190 | Y | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 170.8 | 157.9 | -108.3 | 0 | 0 | 0 | 112.1 | L104 L163 R167 L170 T171 W186 T187 L188 N192 L193 H194 L208 | L104-Y190 HydrophobicContact CD2-CD2 4.33Å; L163-Y190 HydrophobicContact CD1-CD2 3.63Å; L163-Y190 HydrophobicContact CD1-CE2 3.82Å; L163-Y190 HydrophobicContact CG-CD2 4.33Å; L163-Y190 HydrophobicContact CG-CE2 4.03Å; R167-Y190 HydrophobicContact CB-CE1 4.36Å; R167-Y190 HydrophobicContact CB-CE2 3.7Å; R167-Y190 WeakPolarHBondContact CB-OH 3.2Å; R167-Y190 VanDerWaalsContact CD-OH 3.31Å; R167-Y190 WeakPolarHBondContact CD-OH 3.34Å; R167-Y190 HydrophobicContact CG-CE1 4.32Å; R167-Y190 HydrophobicContact CG-CE2 4.37Å; R167-Y190 WeakPolarHBondContact CG-OH 3.1Å; L170-Y190 HydrophobicContact CD1-CG 4.38Å; T171-Y190 HydrophobicContact CG2-CD1 4.25Å; T171-Y190 HydrophobicContact CG2-CE1 3.82Å; W186-Y190 PolarHBondContact O-N 2.98Å; T187-Y190 WeakPolarHBondContact O-CB 3.5Å; T187-Y190 PolarHBondContact O-N 3.32Å; L188-Y190 PolarHBondContact O-N 3.23Å; Y190-N192 VanDerWaalsContact C-N 3.3Å; Y190-N192 PolarHBondContact O-N 2.89Å; Y190-L193 PolarHBondContact O-N 3.3Å; Y190-H194 HydrophobicContact CE2-CB 4.01Å; Y190-H194 AromaticContact CE2-ND1 3.85Å; Y190-H194 AromaticContact CZ-ND1 3.49Å; Y190-H194 PolarHBondContact O-N 3.19Å; Y190-H194 PolarHBondContact OH-ND1 2.95Å; Y190-L208 HydrophobicContact CE1-CD2 4.41Å |
| 191 | I | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | -179.2 | -69.9 | 162.3 | 0 | 0 | 0 | 111 | T187 L188 H194 Q195 L205 L208 A209 | T187-I191 HydrophobicContact CG2-CD1 4.22Å; T187-I191 WeakPolarHBondContact O-CD1 3.35Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 3.48Å; L188-I191 HydrophobicContact CD2-CD1 4.44Å; L188-I191 PolarHBondContact O-N 3.36Å; I191-H194 PolarHBondContact O-N 3.49Å; I191-Q195 VanDerWaalsContact O-CB 3.3Å; I191-Q195 WeakPolarHBondContact O-CB 3.46Å; I191-Q195 PolarHBondContact O-N 2.99Å; I191-L205 HydrophobicContact CG1-CD2 4.41Å; I191-L205 HydrophobicContact CG2-CB 4.04Å; I191-L205 HydrophobicContact CG2-CD2 4.48Å; I191-L208 HydrophobicContact CD1-CB 3.98Å; I191-L208 HydrophobicContact CD1-CD2 3.81Å; I191-L208 HydrophobicContact CD1-CG 3.71Å; I191-L208 HydrophobicContact CG1-CD2 3.86Å; I191-L208 HydrophobicContact CG1-CG 4.32Å; I191-A209 HydrophobicContact CD1-CB 3.95Å; I191-A209 HydrophobicContact CG2-CB 4.3Å |
| 192 | N | 96.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.08 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.7 | -174.1 | 12.4 | 0 | 0 | 0 | 111.3 | L188 R189 Y190 Q195 Q196 | L188-N192 PolarHBondContact O-N 2.83Å; R189-N192 PolarHBondContact O-N 3.15Å; Y190-N192 VanDerWaalsContact C-N 3.3Å; Y190-N192 PolarHBondContact O-N 2.89Å; N192-Q195 PolarHBondContact O-N 2.73Å; N192-Q196 WeakPolarHBondContact O-CG 3.35Å; N192-Q196 PolarHBondContact O-N 2.94Å; N192-Q196 VanDerWaalsContact O-N 3.17Å; N192-Q196 PolarHBondContact OD1-NE2 3.49Å |
| 193 | L | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 178 | -67.4 | 177.4 | 0 | 0 | 0 | 112.5 | L104 F107 A108 W112 L163 R189 Y190 Q196 F435 Y436 | L104-L193 HydrophobicContact CD2-CD1 4.21Å; F107-L193 HydrophobicContact CD1-CB 4.45Å; F107-L193 HydrophobicContact CD1-CD1 4.26Å; F107-L193 HydrophobicContact CE1-CB 4.41Å; A108-L193 HydrophobicContact CB-CD1 4.44Å; W112-L193 HydrophobicContact CD2-CD2 4.18Å; W112-L193 HydrophobicContact CE3-CD2 4.08Å; W112-L193 HydrophobicContact CH2-CB 4.48Å; W112-L193 HydrophobicContact CH2-CD2 3.87Å; W112-L193 HydrophobicContact CZ2-CD2 3.95Å; W112-L193 HydrophobicContact CZ3-CD2 3.93Å; L163-L193 HydrophobicContact CD1-CB 4.36Å; R189-L193 WeakPolarHBondContact O-CG 3.3Å; R189-L193 PolarHBondContact O-N 2.93Å; Y190-L193 PolarHBondContact O-N 3.3Å; L193-Q196 PolarHBondContact O-N 3.44Å; L193-F435 HydrophobicContact CD2-CE1 4.09Å; L193-F435 HydrophobicContact CD2-CZ 4.18Å; L193-Y436 HydrophobicContact CD1-CE1 4.02Å; L193-Y436 HydrophobicContact CG-CE1 4.25Å |
| 194 | H | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 177.8 | -165.7 | 176.3 | 0 | 0 | 0 | 111.5 | L146 L148 L163 Y190 I191 Q196 I197 L205 | L146-H194 PolarHBondContact O-CE1 3.45Å; L146-H194 PolarHBondContact O-NE2 2.92Å; L148-H194 WeakPolarHBondContact CD1-CE1 3.34Å; L163-H194 HydrophobicContact CD2-CB 4.17Å; Y190-H194 HydrophobicContact CE2-CB 4.01Å; Y190-H194 AromaticContact CE2-ND1 3.85Å; Y190-H194 AromaticContact CZ-ND1 3.49Å; Y190-H194 PolarHBondContact O-N 3.19Å; Y190-H194 PolarHBondContact OH-ND1 2.95Å; I191-H194 PolarHBondContact O-N 3.49Å; H194-Q196 VanDerWaalsContact C-N 3.27Å; H194-Q196 PolarHBondContact O-N 3.07Å; H194-I197 WeakPolarHBondContact O-CG1 3.36Å; H194-I197 PolarHBondContact O-N 2.68Å; H194-L205 HydrophobicContact CB-CD1 4.16Å |
| 195 | Q | 96.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -34.5 | 177.1 | -177.5 | 51.7 | 78.9 | 0 | 0 | 112.1 | I191 N192 I197 L198 A200 L205 T243 Y244 | I191-Q195 VanDerWaalsContact O-CB 3.3Å; I191-Q195 WeakPolarHBondContact O-CB 3.46Å; I191-Q195 PolarHBondContact O-N 2.99Å; N192-Q195 PolarHBondContact O-N 2.73Å; Q195-I197 VanDerWaalsContact C-N 3.33Å; Q195-I197 PolarHBondContact O-N 3.2Å; Q195-L198 PolarHBondContact O-N 2.87Å; Q195-A200 PolarHBondContact NE2-O 2.63Å; Q195-L205 HydrophobicContact CB-CD1 3.98Å; Q195-T243 HydrophobicContact CG-CG2 4.03Å; Q195-Y244 PolarHBondContact OE1-OH 3.29Å |
| 196 | Q | 94.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 25% | 0.248 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.5 | -18.7 | -179 | -73.6 | -175.4 | 44.2 | 0 | 0 | 114.8 | W112 N192 L193 H194 | W112-Q196 HydrophobicContact CZ2-CB 3.78Å; N192-Q196 WeakPolarHBondContact O-CG 3.35Å; N192-Q196 PolarHBondContact O-N 2.94Å; N192-Q196 VanDerWaalsContact O-N 3.17Å; N192-Q196 PolarHBondContact OD1-NE2 3.49Å; L193-Q196 PolarHBondContact O-N 3.44Å; H194-Q196 VanDerWaalsContact C-N 3.27Å; H194-Q196 PolarHBondContact O-N 3.07Å |
| 197 | I | 95.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -91.4 | -11.2 | 176.5 | 64.7 | 170.6 | 0 | 0 | 0 | 113.7 | F107 W112 V153 Y154 V157 L163 H194 Q195 W444 | F107-I197 HydrophobicContact CE1-CG2 4.46Å; F107-I197 HydrophobicContact CZ-CD1 4.41Å; F107-I197 HydrophobicContact CZ-CG2 4.23Å; W112-I197 HydrophobicContact CH2-CG2 3.83Å; V153-I197 WeakPolarHBondContact CA-O 3.37Å; V153-I197 HydrophobicContact CG1-CB 4.19Å; V153-I197 HydrophobicContact CG1-CD1 3.69Å; V153-I197 HydrophobicContact CG1-CG1 4.04Å; Y154-I197 PolarHBondContact N-O 3.45Å; V157-I197 HydrophobicContact CG2-CB 4.08Å; V157-I197 HydrophobicContact CG2-CG2 3.9Å; L163-I197 HydrophobicContact CD2-CD1 3.37Å; L163-I197 HydrophobicContact CD2-CG1 4.41Å; H194-I197 WeakPolarHBondContact O-CG1 3.36Å; H194-I197 PolarHBondContact O-N 2.68Å; Q195-I197 VanDerWaalsContact C-N 3.33Å; Q195-I197 PolarHBondContact O-N 3.2Å; I197-W444 HydrophobicContact CG2-CH2 3.93Å; I197-W444 HydrophobicContact CG2-CZ2 4.16Å |
| 198 | L | 93.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 144.3 | 176.2 | -66.6 | 171.7 | 0 | 0 | 0 | 110.8 | L148 E151 S152 V153 Q195 A200 L205 | L148-L198 HydrophobicContact CB-CD1 4.42Å; E151-L198 HydrophobicContact CB-CD2 4.41Å; S152-L198 WeakPolarHBondContact O-CA 3.43Å; V153-L198 HydrophobicContact CG2-CD2 3.7Å; Q195-L198 PolarHBondContact O-N 2.87Å; L198-A200 VanDerWaalsContact C-N 3.26Å; L198-A200 WeakPolarHBondContact CB-O 3.36Å; L198-A200 PolarHBondContact O-N 2.85Å; L198-L205 HydrophobicContact CD1-CD1 3.9Å |
| 199 | E | 88.8 | Confident | 95.3 | Very high | 95 Ų | 95 | 27 Ų | 27 | 44% | 0.444 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -63.2 | -30.5 | 176.1 | -75.2 | -175.5 | 153.8 | 0 | 0 | 113.1 | S152 R532 | S152-E199 PolarHBondContact O-N 3.3Å; S152-E199 WeakPolarHBondContact OG-CG 3.48Å; S152-E199 PolarHBondContact OG-OE1 3.38Å; S152-E199 PolarHBondContact OG-OE2 3.41Å; E199-R532 IonicContact OE1-NH1 3.28Å; E199-R532 PolarHBondContact OE1-NH1 3.45Å; E199-R532 IonicContact OE2-NH1 3.74Å |
| 200 | A | 90.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 17% | 0.174 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -141 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E151 Q195 L198 | E151-A200 HydrophobicContact CG-CB 4.02Å; E151-A200 WeakPolarHBondContact OE2-CB 3.27Å; Q195-A200 PolarHBondContact NE2-O 2.63Å; L198-A200 VanDerWaalsContact C-N 3.26Å; L198-A200 WeakPolarHBondContact CB-O 3.36Å; L198-A200 PolarHBondContact O-N 2.85Å |
| 201 | R | 93.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 32.1 Ų | 32.1 | 25% | 0.249 | 17% | 0.17 | C | C | . | . | trans | -72.3 | 137.9 | -176.7 | -66.7 | 168.1 | -178.4 | 95.1 | -14.6 | 111.6 | T243 Y244 Y245 N561 M563 | R201-T243 WeakPolarHBondContact CD-O 3.35Å; R201-T243 PolarHBondContact NE-O 3.43Å; R201-Y244 HydrophobicContact CB-CD1 4.36Å; R201-Y244 HydrophobicContact CB-CE1 4.17Å; R201-Y245 PolarHBondContact NH1-OH 3.4Å; R201-Y245 VanDerWaalsContact NH2-CE1 3.34Å; R201-Y245 VanDerWaalsContact NH2-CZ 3.34Å; R201-Y245 PolarHBondContact NH2-OH 3.25Å; R201-N561 PolarHBondContact O-ND2 3Å; R201-N561 PolarHBondContact O-OD1 3.37Å; R201-M563 HydrophobicContact CB-CB 3.95Å | ||
| 202 | S | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -104.2 | 115.1 | 179.3 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | D149 Q204 L205 L206 Y244 | D149-S202 WeakPolarHBondContact OD2-CA 3.32Å; D149-S202 WeakPolarHBondContact OD2-CB 3.23Å; D149-S202 PolarHBondContact OD2-OG 3.02Å; S202-Q204 PolarHBondContact O-N 3.12Å; S202-Q204 PolarHBondContact OG-N 3.27Å; S202-L205 PolarHBondContact O-N 2.93Å; S202-L205 PolarHBondContact OG-N 3.4Å; S202-L206 PolarHBondContact O-N 3.28Å; S202-Y244 WeakPolarHBondContact O-CE1 3.31Å | ||
| 203 | P | 93.3 | Very high | 95 | Very high | 32 Ų | 32 | 32 Ų | 32 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.1 | -34.7 | 168.8 | -26.7 | 31.7 | 0 | 0 | 0 | 114.4 | D149 L206 S207 M563 | D149-P203 VanDerWaalsContact OD2-CD 3.23Å; D149-P203 WeakPolarHBondContact OD2-CD 3.2Å; P203-L206 PolarHBondContact O-N 3.3Å; P203-S207 PolarHBondContact O-N 3.21Å; P203-S207 VanDerWaalsContact O-N 3.08Å; P203-M563 HydrophobicContact CG-CB 4.49Å; P203-M563 HydrophobicContact CG-CG 3.82Å |
| 204 | Q | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 36.4 Ų | 36.4 | 44% | 0.444 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 178 | -71.3 | 175.5 | 32.9 | 0 | 0 | 111.6 | D149 S202 L206 S207 L208 | D149-Q204 VanDerWaalsContact OD1-CD 3.31Å; D149-Q204 VanDerWaalsContact OD1-CG 3.32Å; D149-Q204 WeakPolarHBondContact OD1-CG 3.4Å; D149-Q204 PolarHBondContact OD1-NE2 3.45Å; D149-Q204 PolarHBondContact OD2-N 3.02Å; D149-Q204 VanDerWaalsContact OD2-N 3.09Å; S202-Q204 PolarHBondContact O-N 3.12Å; S202-Q204 PolarHBondContact OG-N 3.27Å; Q204-L206 VanDerWaalsContact C-N 3.32Å; Q204-L206 PolarHBondContact O-N 3.12Å; Q204-S207 PolarHBondContact O-N 3.12Å; Q204-S207 PolarHBondContact O-OG 3.19Å; Q204-L208 PolarHBondContact O-N 3.29Å; Q204-L208 VanDerWaalsContact O-N 3.13Å |
| 205 | L | 96.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 177.3 | -72 | -175.3 | 0 | 0 | 0 | 112.3 | L148 I191 H194 Q195 L198 S202 L208 A209 Y244 | L148-L205 HydrophobicContact CD1-CD1 4.04Å; L148-L205 HydrophobicContact CD1-CD2 3.58Å; L148-L205 HydrophobicContact CD1-CG 3.57Å; I191-L205 HydrophobicContact CG1-CD2 4.41Å; I191-L205 HydrophobicContact CG2-CB 4.04Å; I191-L205 HydrophobicContact CG2-CD2 4.48Å; H194-L205 HydrophobicContact CB-CD1 4.16Å; Q195-L205 HydrophobicContact CB-CD1 3.98Å; L198-L205 HydrophobicContact CD1-CD1 3.9Å; S202-L205 PolarHBondContact O-N 2.93Å; S202-L205 PolarHBondContact OG-N 3.4Å; L205-L208 PolarHBondContact O-N 3.03Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 3.29Å; L205-Y244 WeakPolarHBondContact CB-OH 3.44Å |
| 206 | L | 96.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 173.5 | 177.8 | 57.4 | 0 | 0 | 0 | 111.8 | S202 P203 Q204 L208 A209 H210 Y244 M563 | S202-L206 PolarHBondContact O-N 3.28Å; P203-L206 PolarHBondContact O-N 3.3Å; Q204-L206 VanDerWaalsContact C-N 3.32Å; Q204-L206 PolarHBondContact O-N 3.12Å; L206-L208 VanDerWaalsContact C-N 3.25Å; L206-L208 PolarHBondContact O-N 2.95Å; L206-A209 WeakPolarHBondContact O-CA 3.46Å; L206-A209 WeakPolarHBondContact O-CB 3.21Å; L206-A209 PolarHBondContact O-N 3.36Å; L206-H210 WeakPolarHBondContact CD1-NE2 3.37Å; L206-H210 PolarHBondContact O-N 2.94Å; L206-Y244 HydrophobicContact CB-CD1 3.81Å; L206-Y244 HydrophobicContact CB-CD2 4.38Å; L206-Y244 HydrophobicContact CB-CE1 3.76Å; L206-Y244 HydrophobicContact CB-CE2 4.34Å; L206-Y244 HydrophobicContact CB-CG 4.12Å; L206-Y244 HydrophobicContact CD1-CD1 4.2Å; L206-Y244 HydrophobicContact CD1-CD2 3.71Å; L206-Y244 HydrophobicContact CD1-CE2 4.31Å; L206-Y244 HydrophobicContact CD1-CG 3.63Å; L206-Y244 HydrophobicContact CD2-CD1 4.09Å; L206-Y244 HydrophobicContact CD2-CG 4.17Å; L206-Y244 HydrophobicContact CG-CD1 4.25Å; L206-Y244 HydrophobicContact CG-CG 4.17Å; L206-M563 HydrophobicContact CD2-CE 3.41Å; L206-M563 VanDerWaalsContact CD2-CE 3.41Å |
| 207 | S | 96.1 | Very high | 94.2 | Very high | 73 Ų | 73 | 42 Ų | 42 | 51% | 0.51 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -36.8 | -179.5 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | P203 Q204 C211 | P203-S207 PolarHBondContact O-N 3.21Å; P203-S207 VanDerWaalsContact O-N 3.08Å; Q204-S207 PolarHBondContact O-N 3.12Å; Q204-S207 PolarHBondContact O-OG 3.19Å; S207-C211 PolarHBondContact O-N 2.95Å |
| 208 | L | 96.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.6 | -35.4 | 175 | -174.4 | 67 | 0 | 0 | 0 | 111.6 | T171 T187 Y190 I191 Q204 L205 L206 S212 | T171-L208 HydrophobicContact CG2-CD2 3.69Å; T187-L208 HydrophobicContact CG2-CD1 4.48Å; T187-L208 HydrophobicContact CG2-CD2 4.03Å; T187-L208 HydrophobicContact CG2-CG 4.19Å; Y190-L208 HydrophobicContact CE1-CD2 4.41Å; I191-L208 HydrophobicContact CD1-CB 3.98Å; I191-L208 HydrophobicContact CD1-CD2 3.81Å; I191-L208 HydrophobicContact CD1-CG 3.71Å; I191-L208 HydrophobicContact CG1-CD2 3.86Å; I191-L208 HydrophobicContact CG1-CG 4.32Å; Q204-L208 PolarHBondContact O-N 3.29Å; Q204-L208 VanDerWaalsContact O-N 3.13Å; L205-L208 PolarHBondContact O-N 3.03Å; L206-L208 VanDerWaalsContact C-N 3.25Å; L206-L208 PolarHBondContact O-N 2.95Å; L208-S212 WeakPolarHBondContact O-CB 3.19Å; L208-S212 PolarHBondContact O-N 3.04Å; L208-S212 PolarHBondContact O-OG 2.99Å |
| 209 | A | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -50.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L188 I191 L205 L206 C211 S212 M213 I240 | L188-A209 HydrophobicContact CD2-CB 4.11Å; I191-A209 HydrophobicContact CD1-CB 3.95Å; I191-A209 HydrophobicContact CG2-CB 4.3Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 3.29Å; L206-A209 WeakPolarHBondContact O-CA 3.46Å; L206-A209 WeakPolarHBondContact O-CB 3.21Å; L206-A209 PolarHBondContact O-N 3.36Å; A209-C211 VanDerWaalsContact C-N 3.33Å; A209-C211 PolarHBondContact O-N 3.16Å; A209-S212 PolarHBondContact O-N 3.44Å; A209-M213 HydrophobicContact CB-CE 4.35Å; A209-M213 VanDerWaalsContact O-CG 3.3Å; A209-M213 WeakPolarHBondContact O-CG 3.41Å; A209-M213 PolarHBondContact O-N 3Å; A209-I240 HydrophobicContact CB-CG2 3.91Å |
| 210 | H | 96.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 30% | 0.296 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.1 | -47.5 | 176.1 | -68.2 | 156 | 0 | 0 | 0 | 112.1 | L206 S212 M213 D214 E246 | L206-H210 WeakPolarHBondContact CD1-NE2 3.37Å; L206-H210 PolarHBondContact O-N 2.94Å; H210-S212 VanDerWaalsContact C-N 3.26Å; H210-S212 PolarHBondContact O-N 2.99Å; H210-M213 PolarHBondContact O-N 3.38Å; H210-D214 WeakPolarHBondContact O-CB 3.29Å; H210-D214 PolarHBondContact O-N 3.39Å; H210-E246 IonicContact CD2-OE2 2.72Å; H210-E246 IonicContact CE1-OE1 3.53Å; H210-E246 PolarHBondContact CE1-OE1 2.62Å; H210-E246 IonicContact CE1-OE2 3.69Å; H210-E246 VanDerWaalsContact NE2-CD 3.26Å; H210-E246 IonicContact NE2-OE1 2.64Å; H210-E246 PolarHBondContact NE2-OE1 2.81Å; H210-E246 IonicContact NE2-OE2 3.83Å; H210-E246 PolarHBondContact NE2-OE2 3.42Å |
| 211 | C | 95.1 | Very high | 92 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 177.7 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | S207 A209 R215 | S207-C211 PolarHBondContact O-N 2.95Å; A209-C211 VanDerWaalsContact C-N 3.33Å; A209-C211 PolarHBondContact O-N 3.16Å; C211-R215 VanDerWaalsContact O-CG 3.26Å; C211-R215 WeakPolarHBondContact O-CG 3.47Å; C211-R215 PolarHBondContact O-N 3.1Å |
| 212 | S | 95.1 | Very high | 91 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.6 | -42.6 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L208 A209 H210 D214 R215 V216 | L208-S212 WeakPolarHBondContact O-CB 3.19Å; L208-S212 PolarHBondContact O-N 3.04Å; L208-S212 PolarHBondContact O-OG 2.99Å; A209-S212 PolarHBondContact O-N 3.44Å; H210-S212 VanDerWaalsContact C-N 3.26Å; H210-S212 PolarHBondContact O-N 2.99Å; S212-D214 PolarHBondContact O-N 2.71Å; S212-R215 PolarHBondContact O-N 3.4Å; S212-V216 WeakPolarHBondContact O-CG2 3.39Å; S212-V216 PolarHBondContact O-N 3.14Å; S212-V216 VanDerWaalsContact O-N 3.08Å |
| 213 | M | 95.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.8 | -49 | 174.6 | -67.7 | 177.9 | -174.6 | 0 | 0 | 111.2 | L188 A209 H210 R215 V216 L217 C237 I240 | L188-M213 HydrophobicContact CD1-CG 4.02Å; L188-M213 HydrophobicContact CD2-CE 4.22Å; L188-M213 HydrophobicContact CD2-CG 3.8Å; A209-M213 HydrophobicContact CB-CE 4.35Å; A209-M213 VanDerWaalsContact O-CG 3.3Å; A209-M213 WeakPolarHBondContact O-CG 3.41Å; A209-M213 PolarHBondContact O-N 3Å; H210-M213 PolarHBondContact O-N 3.38Å; M213-R215 PolarHBondContact O-N 2.81Å; M213-V216 PolarHBondContact O-N 3.32Å; M213-L217 WeakPolarHBondContact O-CB 3.5Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 2.94Å; M213-C237 HydrophobicContact CE-CB 4.18Å; M213-C237 HydrophobicContact SD-CB 4.3Å; M213-I240 HydrophobicContact CE-CB 3.57Å; M213-I240 HydrophobicContact CE-CD1 3.92Å; M213-I240 HydrophobicContact CE-CG1 4.35Å; M213-I240 HydrophobicContact CE-CG2 3.46Å; M213-I240 VanDerWaalsContact CE-CG2 3.46Å |
| 214 | D | 94.2 | Very high | 89.2 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | 178.8 | -76.4 | -13.7 | 0 | 0 | 0 | 112.6 | H210 S212 K218 | H210-D214 WeakPolarHBondContact O-CB 3.29Å; H210-D214 PolarHBondContact O-N 3.39Å; S212-D214 PolarHBondContact O-N 2.71Å; D214-K218 WeakPolarHBondContact O-CD 3.41Å; D214-K218 VanDerWaalsContact O-CG 3.26Å; D214-K218 WeakPolarHBondContact O-CG 3.35Å; D214-K218 PolarHBondContact O-N 3.25Å |
| 215 | R | 92.1 | Very high | 88.3 | Confident | 126 Ų | 126 | 58.4 Ų | 58.4 | 48% | 0.475 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71 | -44.3 | 177.5 | -73.7 | 173.7 | -173.9 | -156.8 | 1.9 | 111.7 | P184 C211 S212 M213 K218 | P184-R215 HydrophobicContact CB-CB 4.02Å; P184-R215 HydrophobicContact CG-CB 3.87Å; C211-R215 VanDerWaalsContact O-CG 3.26Å; C211-R215 WeakPolarHBondContact O-CG 3.47Å; C211-R215 PolarHBondContact O-N 3.1Å; S212-R215 PolarHBondContact O-N 3.4Å; M213-R215 PolarHBondContact O-N 2.81Å; R215-K218 PolarHBondContact O-N 3.4Å |
| 216 | V | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111 | P184 W185 S212 M213 K218 C219 L223 F233 | P184-V216 HydrophobicContact CB-CG2 3.93Å; W185-V216 HydrophobicContact CB-CG2 3.9Å; S212-V216 WeakPolarHBondContact O-CG2 3.39Å; S212-V216 PolarHBondContact O-N 3.14Å; S212-V216 VanDerWaalsContact O-N 3.08Å; M213-V216 PolarHBondContact O-N 3.32Å; V216-K218 PolarHBondContact O-N 3.01Å; V216-C219 CarbonylContact O-C 3.54Å; V216-C219 WeakPolarHBondContact O-CA 3.47Å; V216-C219 WeakPolarHBondContact O-CB 3.3Å; V216-C219 PolarHBondContact O-N 3.4Å; V216-L223 HydrophobicContact CG1-CD1 4.08Å; V216-F233 HydrophobicContact CB-CD2 4.38Å; V216-F233 HydrophobicContact CB-CE2 3.53Å; V216-F233 HydrophobicContact CB-CZ 3.63Å; V216-F233 HydrophobicContact CG1-CD1 4.49Å; V216-F233 HydrophobicContact CG1-CD2 3.75Å; V216-F233 HydrophobicContact CG1-CE1 4.18Å; V216-F233 HydrophobicContact CG1-CE2 3.38Å; V216-F233 HydrophobicContact CG1-CG 4.29Å; V216-F233 HydrophobicContact CG1-CZ 3.62Å; V216-F233 HydrophobicContact CG2-CE2 3.99Å |
| 217 | L | 90.7 | Very high | 87.3 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 176.7 | -74.9 | 169.7 | 0 | 0 | 0 | 112.6 | M213 C219 Q220 F233 | M213-L217 WeakPolarHBondContact O-CB 3.5Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 2.94Å; L217-C219 PolarHBondContact O-N 3.1Å; L217-Q220 WeakPolarHBondContact O-CB 3.47Å; L217-Q220 PolarHBondContact O-N 3.41Å; L217-F233 HydrophobicContact CD2-CE1 3.74Å; L217-F233 HydrophobicContact CD2-CZ 4.41Å; L217-F233 HydrophobicContact CG-CE1 4.02Å; L217-F233 HydrophobicContact CG-CZ 4.18Å |
| 218 | K | 89.1 | Confident | 87 | Confident | 169 Ų | 169 | 58.2 Ų | 58.2 | 74% | 0.735 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.8 | -20.8 | 173 | -73 | 167 | -172.9 | 173.8 | 0 | 113.3 | D214 R215 V216 | D214-K218 WeakPolarHBondContact O-CD 3.41Å; D214-K218 VanDerWaalsContact O-CG 3.26Å; D214-K218 WeakPolarHBondContact O-CG 3.35Å; D214-K218 PolarHBondContact O-N 3.25Å; R215-K218 PolarHBondContact O-N 3.4Å; V216-K218 PolarHBondContact O-N 3.01Å |
| 219 | C | 82.6 | Confident | 86.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 17.9 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 113 | L182 V216 L217 S221 A222 | L182-C219 HydrophobicContact CD2-CB 4.41Å; V216-C219 CarbonylContact O-C 3.54Å; V216-C219 WeakPolarHBondContact O-CA 3.47Å; V216-C219 WeakPolarHBondContact O-CB 3.3Å; V216-C219 PolarHBondContact O-N 3.4Å; L217-C219 PolarHBondContact O-N 3.1Å; C219-S221 PolarHBondContact O-N 3.36Å; C219-S221 VanDerWaalsContact O-N 3.09Å; C219-A222 WeakPolarHBondContact O-CB 3.29Å; C219-A222 PolarHBondContact O-N 3.22Å |
| 220 | Q | 73.9 | Confident | 86.6 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.4 | -30.6 | -176.6 | -172.1 | 176.2 | 12.9 | 0 | 0 | 114 | L217 A222 L223 S224 | L217-Q220 WeakPolarHBondContact O-CB 3.47Å; L217-Q220 PolarHBondContact O-N 3.41Å; Q220-A222 PolarHBondContact O-N 3.3Å; Q220-L223 CarbonylContact O-C 3.51Å; Q220-L223 PolarHBondContact O-N 3.36Å; Q220-S224 PolarHBondContact O-N 3.11Å |
| 221 | S | 76 | Confident | 86.4 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 70% | 0.699 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64 | -22.7 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | C219 S224 | C219-S221 PolarHBondContact O-N 3.36Å; C219-S221 VanDerWaalsContact O-N 3.09Å; S221-S224 PolarHBondContact O-OG 3.34Å; S221-S224 VanDerWaalsContact O-OG 3.06Å |
| 222 | A | 74.1 | Confident | 86.4 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.6 | -22.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I3 C219 Q220 | I3-A222 HydrophobicContact CD1-CB 3.36Å; I3-A222 HydrophobicContact CG1-CB 4.47Å; C219-A222 WeakPolarHBondContact O-CB 3.29Å; C219-A222 PolarHBondContact O-N 3.22Å; Q220-A222 PolarHBondContact O-N 3.3Å |
| 223 | L | 75.3 | Confident | 86.4 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -97.4 | -11.6 | -178.7 | -64.8 | 173 | 0 | 0 | 0 | 112.7 | W185 V216 Q220 D225 Q226 L229 | W185-L223 HydrophobicContact CZ3-CD1 4.47Å; W185-L223 HydrophobicContact CZ3-CD2 4.01Å; V216-L223 HydrophobicContact CG1-CD1 4.08Å; Q220-L223 CarbonylContact O-C 3.51Å; Q220-L223 PolarHBondContact O-N 3.36Å; L223-D225 PolarHBondContact O-N 3.01Å; L223-Q226 CarbonylContact O-C 3.57Å; L223-Q226 PolarHBondContact O-N 3.41Å; L223-L229 HydrophobicContact CD2-CB 4.47Å |
| 224 | S | 73.5 | Confident | 86.5 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 57% | 0.573 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32.4 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 113 | Q220 S221 Q226 | Q220-S224 PolarHBondContact O-N 3.11Å; S221-S224 PolarHBondContact O-OG 3.34Å; S221-S224 VanDerWaalsContact O-OG 3.06Å; S224-Q226 VanDerWaalsContact C-N 3.31Å |
| 225 | D | 76.3 | Confident | 86.6 | Confident | 140 Ų | 140 | 47.3 Ų | 47.3 | 75% | 0.749 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.8 | 179.6 | -62 | -14.1 | 0 | 0 | 0 | 112.5 | L223 | L223-D225 PolarHBondContact O-N 3.01Š|
| 226 | Q | 84.4 | Confident | 86.8 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | trans | -121.9 | 70.4 | -174.5 | -63.1 | -66.9 | -41.4 | 0 | 0 | 111 | I7 L223 S224 S228 L229 A230 | I7-Q226 HydrophobicContact CD1-CG 4.36Å; I7-Q226 HydrophobicContact CG2-CG 4.31Å; L223-Q226 CarbonylContact O-C 3.57Å; L223-Q226 PolarHBondContact O-N 3.41Å; S224-Q226 VanDerWaalsContact C-N 3.31Å; Q226-S228 VanDerWaalsContact C-N 3.32Å; Q226-S228 PolarHBondContact O-N 2.86Å; Q226-L229 HydrophobicContact CB-CB 4.1Å; Q226-L229 HydrophobicContact CB-CD1 4.13Å; Q226-L229 HydrophobicContact CB-CG 4.46Å; Q226-L229 HydrophobicContact CG-CD1 4.37Å; Q226-L229 PolarHBondContact O-N 2.98Å; Q226-L229 VanDerWaalsContact O-N 3.14Å; Q226-A230 PolarHBondContact O-N 3.43Å | ||
| 227 | R | 87.8 | Confident | 87.1 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -49.2 | -47.4 | -177.1 | -165.9 | 176 | -171.3 | -169.1 | -5.9 | 112.8 | A230 I231 L260 E295 | R227-A230 PolarHBondContact O-N 3.32Å; R227-I231 WeakPolarHBondContact O-CG1 3.27Å; R227-I231 PolarHBondContact O-N 3.15Å; R227-L260 WeakPolarHBondContact CG-O 3.39Å; R227-L260 PolarHBondContact NE-O 3.49Å; R227-L260 PolarHBondContact NH2-O 3.4Å; R227-E295 IonicContact CZ-OE2 3.2Å; R227-E295 IonicContact NH1-OE2 3.11Å; R227-E295 PolarHBondContact NH1-OE2 2.91Å; R227-E295 IonicContact NH2-OE1 2.62Å; R227-E295 IonicContact NH2-OE2 3Å; R227-E295 PolarHBondContact NH2-OE2 3.01Å |
| 228 | S | 89.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | -179.2 | -51 | 0 | 0 | 0 | 0 | 112.8 | Q226 I231 Q232 T305 | Q226-S228 VanDerWaalsContact C-N 3.32Å; Q226-S228 PolarHBondContact O-N 2.86Å; S228-I231 PolarHBondContact O-N 3.49Å; S228-Q232 WeakPolarHBondContact O-CG 3.32Å; S228-Q232 PolarHBondContact O-N 3.05Å; S228-T305 PolarHBondContact OG-OG1 2.76Å; S228-T305 VanDerWaalsContact OG-OG1 3.06Å |
| 229 | L | 91.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | 176.4 | -74 | 176.7 | 0 | 0 | 0 | 111.8 | I7 R11 W185 L223 Q226 I231 Q232 F233 | I7-L229 HydrophobicContact CG2-CD1 3.9Å; R11-L229 HydrophobicContact CB-CD2 4.22Å; R11-L229 HydrophobicContact CG-CD2 4.37Å; W185-L229 HydrophobicContact CH2-CB 4Å; W185-L229 HydrophobicContact CH2-CD2 4.11Å; W185-L229 WeakPolarHBondContact CH2-O 3.47Å; W185-L229 HydrophobicContact CZ3-CB 4.36Å; L223-L229 HydrophobicContact CD2-CB 4.47Å; Q226-L229 HydrophobicContact CB-CB 4.1Å; Q226-L229 HydrophobicContact CB-CD1 4.13Å; Q226-L229 HydrophobicContact CB-CG 4.46Å; Q226-L229 HydrophobicContact CG-CD1 4.37Å; Q226-L229 PolarHBondContact O-N 2.98Å; Q226-L229 VanDerWaalsContact O-N 3.14Å; L229-I231 VanDerWaalsContact C-N 3.31Å; L229-I231 PolarHBondContact O-N 3.35Å; L229-Q232 PolarHBondContact O-N 3.25Å; L229-F233 PolarHBondContact O-N 3.28Å |
| 230 | A | 92.5 | Very high | 88.3 | Confident | 11 Ų | 11 | 30 Ų | 30 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q226 R227 F233 H234 L260 | Q226-A230 PolarHBondContact O-N 3.43Å; R227-A230 PolarHBondContact O-N 3.32Å; A230-F233 PolarHBondContact O-N 2.86Å; A230-H234 PolarHBondContact O-CD2 2.97Å; A230-H234 PolarHBondContact O-N 3.25Å; A230-H234 VanDerWaalsContact O-N 3.11Å; A230-L260 HydrophobicContact CB-CD1 3.81Å |
| 231 | I | 93.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | 173.1 | -64.2 | 164.7 | 0 | 0 | 0 | 110.4 | R227 S228 L229 F233 H234 L235 A257 L260 E346 | R227-I231 WeakPolarHBondContact O-CG1 3.27Å; R227-I231 PolarHBondContact O-N 3.15Å; S228-I231 PolarHBondContact O-N 3.49Å; L229-I231 VanDerWaalsContact C-N 3.31Å; L229-I231 PolarHBondContact O-N 3.35Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 3.28Å; I231-H234 PolarHBondContact O-N 3.39Å; I231-L235 HydrophobicContact CG2-CD1 3.92Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 WeakPolarHBondContact O-CG 3.17Å; I231-L235 PolarHBondContact O-N 3.29Å; I231-A257 HydrophobicContact CG2-CB 4.35Å; I231-L260 HydrophobicContact CD1-CB 4.41Å; I231-L260 HydrophobicContact CG1-CB 3.74Å; I231-E346 HydrophobicContact CB-CB 4.34Å; I231-E346 HydrophobicContact CD1-CB 4.33Å; I231-E346 HydrophobicContact CG2-CB 3.98Å |
| 232 | Q | 94.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 178.6 | -69.4 | -176.3 | 22.1 | 0 | 0 | 112.2 | W185 S228 L229 L235 E236 E346 C437 | W185-Q232 HydrophobicContact CZ2-CB 4.23Å; S228-Q232 WeakPolarHBondContact O-CG 3.32Å; S228-Q232 PolarHBondContact O-N 3.05Å; L229-Q232 PolarHBondContact O-N 3.25Å; Q232-L235 PolarHBondContact O-N 2.97Å; Q232-E236 WeakPolarHBondContact O-CG 3.45Å; Q232-E236 PolarHBondContact O-N 2.87Å; Q232-E346 HydrophobicContact CG-CG 3.95Å; Q232-E346 PolarHBondContact NE2-OE1 2.83Å; Q232-C437 WeakPolarHBondContact CB-SG 3.3Å; Q232-C437 VanDerWaalsContact CG-SG 3.6Å |
| 233 | F | 95.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 177.7 | 173.5 | -108.9 | 0 | 0 | 0 | 111.9 | W185 L188 V216 L217 L229 A230 I231 L235 E236 C237 | W185-F233 HydrophobicContact CD2-CB 4.44Å; W185-F233 AromaticContact CD2-CD2 3.9Å; W185-F233 HydrophobicContact CD2-CD2 3.9Å; W185-F233 AromaticContact CE2-CD2 3.83Å; W185-F233 HydrophobicContact CE3-CD2 4.42Å; W185-F233 HydrophobicContact CG-CD2 4.13Å; W185-F233 HydrophobicContact CH2-CB 3.71Å; W185-F233 VanDerWaalsContact CZ2-CA 3.47Å; W185-F233 HydrophobicContact CZ2-CB 3.51Å; W185-F233 HydrophobicContact CZ2-CD2 4.36Å; W185-F233 HydrophobicContact CZ2-CG 4.44Å; W185-F233 HydrophobicContact CZ3-CB 4.23Å; W185-F233 AromaticContact NE1-CD2 3.93Å; L188-F233 HydrophobicContact CD1-CE2 3.79Å; V216-F233 HydrophobicContact CB-CD2 4.38Å; V216-F233 HydrophobicContact CB-CE2 3.53Å; V216-F233 HydrophobicContact CB-CZ 3.63Å; V216-F233 HydrophobicContact CG1-CD1 4.49Å; V216-F233 HydrophobicContact CG1-CD2 3.75Å; V216-F233 HydrophobicContact CG1-CE1 4.18Å; V216-F233 HydrophobicContact CG1-CE2 3.38Å; V216-F233 HydrophobicContact CG1-CG 4.29Å; V216-F233 HydrophobicContact CG1-CZ 3.62Å; V216-F233 HydrophobicContact CG2-CE2 3.99Å; L217-F233 HydrophobicContact CD2-CE1 3.74Å; L217-F233 HydrophobicContact CD2-CZ 4.41Å; L217-F233 HydrophobicContact CG-CE1 4.02Å; L217-F233 HydrophobicContact CG-CZ 4.18Å; L229-F233 PolarHBondContact O-N 3.28Å; A230-F233 PolarHBondContact O-N 2.86Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 3.28Å; F233-L235 VanDerWaalsContact C-N 3.31Å; F233-L235 PolarHBondContact O-N 3.35Å; F233-E236 PolarHBondContact O-N 3.11Å; F233-C237 WeakPolarHBondContact CE2-SG 3.23Å; F233-C237 WeakPolarHBondContact CZ-SG 3.49Å; F233-C237 PolarHBondContact O-N 3.4Å; F233-C237 PolarHBondContact O-SG 2.84Å; F233-C237 VanDerWaalsContact O-SG 3.33Å |
| 234 | H | 96.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.06 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 179.6 | -78.4 | -60.1 | 0 | 0 | 0 | 112.5 | A230 I231 C237 A238 H253 T256 A257 | A230-H234 PolarHBondContact O-CD2 2.97Å; A230-H234 PolarHBondContact O-N 3.25Å; A230-H234 VanDerWaalsContact O-N 3.11Å; I231-H234 PolarHBondContact O-N 3.39Å; H234-C237 PolarHBondContact O-N 2.79Å; H234-A238 WeakPolarHBondContact O-CB 3.43Å; H234-A238 PolarHBondContact O-N 3.07Å; H234-H253 HydrophobicContact CB-CB 4.35Å; H234-H253 AromaticContact CE1-ND1 3.79Å; H234-H253 AromaticContact ND1-CE1 3.99Å; H234-H253 AromaticContact ND1-CG 3.92Å; H234-H253 AromaticContact ND1-ND1 3.14Å; H234-H253 PolarHBondContact ND1-ND1 2.95Å; H234-H253 VanDerWaalsContact ND1-ND1 3.14Å; H234-H253 WeakPolarHBondContact O-CB 3.5Å; H234-T256 WeakPolarHBondContact NE2-CG2 3.34Å; H234-A257 HydrophobicContact CB-CB 4.11Å |
| 235 | L | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 173.2 | -69.1 | 175.5 | 0 | 0 | 0 | 111.8 | I231 Q232 F233 C237 A238 Y239 A257 A349 L350 C437 | I231-L235 HydrophobicContact CG2-CD1 3.92Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 WeakPolarHBondContact O-CG 3.17Å; I231-L235 PolarHBondContact O-N 3.29Å; Q232-L235 PolarHBondContact O-N 2.97Å; F233-L235 VanDerWaalsContact C-N 3.31Å; F233-L235 PolarHBondContact O-N 3.35Å; L235-C237 VanDerWaalsContact C-N 3.31Å; L235-C237 PolarHBondContact O-N 3.44Å; L235-A238 PolarHBondContact O-N 2.91Å; L235-Y239 HydrophobicContact CB-CE2 4.26Å; L235-Y239 WeakPolarHBondContact O-CD2 3.35Å; L235-Y239 PolarHBondContact O-N 3.32Å; L235-A257 HydrophobicContact CD2-CB 4.32Å; L235-A257 HydrophobicContact CG-CB 4.47Å; L235-A349 HydrophobicContact CD1-CB 3.86Å; L235-L350 HydrophobicContact CD1-CB 4.37Å; L235-L350 HydrophobicContact CD2-CB 4.5Å; L235-L350 HydrophobicContact CD2-CD1 3.88Å; L235-C437 HydrophobicContact CB-CB 4.49Å; L235-C437 HydrophobicContact CD1-CB 4.42Å |
| 236 | E | 96.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 2% | 0.023 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 175.8 | -73.1 | -176.4 | -147.7 | 0 | 0 | 111.6 | W185 R189 Q232 F233 Y239 I240 Y436 | W185-E236 VanDerWaalsContact NE1-CD 3.31Å; W185-E236 PolarHBondContact NE1-OE1 2.64Å; W185-E236 PolarHBondContact NE1-OE2 3.35Å; R189-E236 VanDerWaalsContact CG-OE2 3.29Å; R189-E236 WeakPolarHBondContact CG-OE2 3.49Å; R189-E236 IonicContact CZ-OE1 2.8Å; R189-E236 IonicContact NE-OE1 2.74Å; R189-E236 PolarHBondContact NE-OE1 2.99Å; R189-E236 IonicContact NE-OE2 3.63Å; R189-E236 PolarHBondContact NE-OE2 2.89Å; R189-E236 IonicContact NH2-OE1 3.93Å; R189-E236 PolarHBondContact NH2-OE1 2.84Å; Q232-E236 WeakPolarHBondContact O-CG 3.45Å; Q232-E236 PolarHBondContact O-N 2.87Å; F233-E236 PolarHBondContact O-N 3.11Å; E236-Y239 PolarHBondContact O-N 2.87Å; E236-I240 WeakPolarHBondContact O-CG1 3.36Å; E236-I240 PolarHBondContact O-N 3.32Å; E236-I240 VanDerWaalsContact O-N 3.12Å; E236-Y436 WeakPolarHBondContact OE1-CB 3.12Å |
| 237 | C | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 174.4 | -69 | 0 | 0 | 0 | 0 | 112.1 | M213 F233 H234 L235 Y239 I240 S241 | M213-C237 HydrophobicContact CE-CB 4.18Å; M213-C237 HydrophobicContact SD-CB 4.3Å; F233-C237 WeakPolarHBondContact CE2-SG 3.23Å; F233-C237 WeakPolarHBondContact CZ-SG 3.49Å; F233-C237 PolarHBondContact O-N 3.4Å; F233-C237 PolarHBondContact O-SG 2.84Å; F233-C237 VanDerWaalsContact O-SG 3.33Å; H234-C237 PolarHBondContact O-N 2.79Å; L235-C237 VanDerWaalsContact C-N 3.31Å; L235-C237 PolarHBondContact O-N 3.44Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 3.46Å; C237-I240 PolarHBondContact O-N 2.93Å; C237-S241 PolarHBondContact O-N 3.23Å; C237-S241 PolarHBondContact O-OG 3.32Å; C237-S241 VanDerWaalsContact O-OG 3.12Å |
| 238 | A | 97.1 | Very high | 94 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 2% | 0.017 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H234 L235 I240 S241 L242 H253 I254 | H234-A238 WeakPolarHBondContact O-CB 3.43Å; H234-A238 PolarHBondContact O-N 3.07Å; L235-A238 PolarHBondContact O-N 2.91Å; A238-I240 PolarHBondContact O-N 3.33Å; A238-S241 PolarHBondContact O-N 3.27Å; A238-L242 WeakPolarHBondContact O-CB 3.45Å; A238-L242 VanDerWaalsContact O-CG 3.26Å; A238-L242 WeakPolarHBondContact O-CG 3.38Å; A238-L242 PolarHBondContact O-N 3.16Å; A238-H253 HydrophobicContact CB-CB 4.07Å; A238-I254 HydrophobicContact CB-CD1 4.12Å; A238-I254 HydrophobicContact CB-CG1 3.68Å |
| 239 | Y | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 177.4 | -77.6 | -51.7 | 0 | 0 | 0 | 113.7 | L235 E236 C237 T243 G353 T356 C437 Q439 | L235-Y239 HydrophobicContact CB-CE2 4.26Å; L235-Y239 WeakPolarHBondContact O-CD2 3.35Å; L235-Y239 PolarHBondContact O-N 3.32Å; E236-Y239 PolarHBondContact O-N 2.87Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 3.46Å; Y239-T243 WeakPolarHBondContact O-CB 3.25Å; Y239-T243 PolarHBondContact O-N 3.17Å; Y239-T243 PolarHBondContact O-OG1 3.38Å; Y239-G353 VanDerWaalsContact OH-CA 3.28Å; Y239-G353 WeakPolarHBondContact OH-CA 3.36Å; Y239-G353 PolarHBondContact OH-N 2.82Å; Y239-T356 HydrophobicContact CD1-CG2 4.44Å; Y239-T356 HydrophobicContact CE1-CG2 4.11Å; Y239-C437 WeakPolarHBondContact CE2-O 3.23Å; Y239-C437 PolarHBondContact OH-O 2.84Å; Y239-Q439 VanDerWaalsContact CB-NE2 3.26Å; Y239-Q439 HydrophobicContact CD1-CB 4.41Å; Y239-Q439 HydrophobicContact CD1-CG 3.39Å; Y239-Q439 HydrophobicContact CD2-CG 4.14Å; Y239-Q439 HydrophobicContact CE1-CB 4.35Å; Y239-Q439 HydrophobicContact CE1-CG 3.79Å; Y239-Q439 HydrophobicContact CG-CG 3.56Å; Y239-Q439 PolarHBondContact O-NE2 3.24Å |
| 240 | I | 96 | Very high | 94.3 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -49.4 | 173.8 | -68.1 | 169.1 | 0 | 0 | 0 | 109.6 | L188 A209 M213 E236 C237 A238 L242 T243 Y244 | L188-I240 HydrophobicContact CB-CD1 4.04Å; L188-I240 HydrophobicContact CD2-CD1 3.87Å; L188-I240 HydrophobicContact CG-CD1 4.47Å; A209-I240 HydrophobicContact CB-CG2 3.91Å; M213-I240 HydrophobicContact CE-CB 3.57Å; M213-I240 HydrophobicContact CE-CD1 3.92Å; M213-I240 HydrophobicContact CE-CG1 4.35Å; M213-I240 HydrophobicContact CE-CG2 3.46Å; M213-I240 VanDerWaalsContact CE-CG2 3.46Å; E236-I240 WeakPolarHBondContact O-CG1 3.36Å; E236-I240 PolarHBondContact O-N 3.32Å; E236-I240 VanDerWaalsContact O-N 3.12Å; C237-I240 PolarHBondContact O-N 2.93Å; A238-I240 PolarHBondContact O-N 3.33Å; I240-L242 VanDerWaalsContact C-N 3.34Å; I240-L242 PolarHBondContact O-N 2.86Å; I240-T243 WeakPolarHBondContact O-CA 3.3Å; I240-T243 VanDerWaalsContact O-CB 3.31Å; I240-T243 WeakPolarHBondContact O-CB 3.45Å; I240-T243 PolarHBondContact O-N 3.34Å; I240-Y244 HydrophobicContact CG2-CD2 3.93Å; I240-Y244 HydrophobicContact CG2-CE2 4Å; I240-Y244 VanDerWaalsContact O-CD2 3.3Å; I240-Y244 WeakPolarHBondContact O-CD2 3.34Å; I240-Y244 PolarHBondContact O-N 2.95Å; I240-Y244 VanDerWaalsContact O-N 3.09Å |
| 241 | S | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | C237 A238 T243 Y244 Y245 E246 S249 | C237-S241 PolarHBondContact O-N 3.23Å; C237-S241 PolarHBondContact O-OG 3.32Å; C237-S241 VanDerWaalsContact O-OG 3.12Å; A238-S241 PolarHBondContact O-N 3.27Å; S241-T243 VanDerWaalsContact C-N 3.29Å; S241-T243 PolarHBondContact O-N 3.04Å; S241-Y244 CarbonylContact O-C 3.47Å; S241-Y244 PolarHBondContact O-N 3.13Å; S241-Y244 VanDerWaalsContact O-N 3.17Å; S241-Y245 PolarHBondContact O-N 3.32Å; S241-E246 PolarHBondContact O-N 2.85Å; S241-S249 PolarHBondContact OG-OG 3.42Å; S241-S249 VanDerWaalsContact OG-OG 3.09Å |
| 242 | L | 93.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 173.7 | -71.6 | 174.9 | 0 | 0 | 0 | 112.6 | A238 I240 Y244 Y245 Y247 A250 T356 D357 K360 | A238-L242 WeakPolarHBondContact O-CB 3.45Å; A238-L242 VanDerWaalsContact O-CG 3.26Å; A238-L242 WeakPolarHBondContact O-CG 3.38Å; A238-L242 PolarHBondContact O-N 3.16Å; I240-L242 VanDerWaalsContact C-N 3.34Å; I240-L242 PolarHBondContact O-N 2.86Å; L242-Y244 VanDerWaalsContact C-N 3.3Å; L242-Y244 PolarHBondContact O-N 3.48Å; L242-Y245 PolarHBondContact O-N 3.07Å; L242-Y247 HydrophobicContact CD2-CD1 3.84Å; L242-Y247 HydrophobicContact CD2-CE1 4.33Å; L242-A250 HydrophobicContact CD2-CB 3.64Å; L242-A250 HydrophobicContact CG-CB 3.64Å; L242-T356 HydrophobicContact CD1-CG2 4.12Å; L242-D357 HydrophobicContact CD1-CB 4.29Å; L242-K360 HydrophobicContact CD2-CB 4.18Å; L242-K360 HydrophobicContact CD2-CG 4.46Å |
| 243 | T | 92.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | Q195 R201 Y239 I240 S241 | Q195-T243 HydrophobicContact CG-CG2 4.03Å; R201-T243 WeakPolarHBondContact CD-O 3.35Å; R201-T243 PolarHBondContact NE-O 3.43Å; Y239-T243 WeakPolarHBondContact O-CB 3.25Å; Y239-T243 PolarHBondContact O-N 3.17Å; Y239-T243 PolarHBondContact O-OG1 3.38Å; I240-T243 WeakPolarHBondContact O-CA 3.3Å; I240-T243 VanDerWaalsContact O-CB 3.31Å; I240-T243 WeakPolarHBondContact O-CB 3.45Å; I240-T243 PolarHBondContact O-N 3.34Å; S241-T243 VanDerWaalsContact C-N 3.29Å; S241-T243 PolarHBondContact O-N 3.04Å |
| 244 | Y | 92.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 15.5 | -179.1 | -67.2 | -79.4 | 0 | 0 | 0 | 114.9 | Q195 R201 S202 L205 L206 I240 S241 L242 E246 | Q195-Y244 PolarHBondContact OE1-OH 3.29Å; R201-Y244 HydrophobicContact CB-CD1 4.36Å; R201-Y244 HydrophobicContact CB-CE1 4.17Å; S202-Y244 WeakPolarHBondContact O-CE1 3.31Å; L205-Y244 WeakPolarHBondContact CB-OH 3.44Å; L206-Y244 HydrophobicContact CB-CD1 3.81Å; L206-Y244 HydrophobicContact CB-CD2 4.38Å; L206-Y244 HydrophobicContact CB-CE1 3.76Å; L206-Y244 HydrophobicContact CB-CE2 4.34Å; L206-Y244 HydrophobicContact CB-CG 4.12Å; L206-Y244 HydrophobicContact CD1-CD1 4.2Å; L206-Y244 HydrophobicContact CD1-CD2 3.71Å; L206-Y244 HydrophobicContact CD1-CE2 4.31Å; L206-Y244 HydrophobicContact CD1-CG 3.63Å; L206-Y244 HydrophobicContact CD2-CD1 4.09Å; L206-Y244 HydrophobicContact CD2-CG 4.17Å; L206-Y244 HydrophobicContact CG-CD1 4.25Å; L206-Y244 HydrophobicContact CG-CG 4.17Å; I240-Y244 HydrophobicContact CG2-CD2 3.93Å; I240-Y244 HydrophobicContact CG2-CE2 4Å; I240-Y244 VanDerWaalsContact O-CD2 3.3Å; I240-Y244 WeakPolarHBondContact O-CD2 3.34Å; I240-Y244 PolarHBondContact O-N 2.95Å; I240-Y244 VanDerWaalsContact O-N 3.09Å; S241-Y244 CarbonylContact O-C 3.47Å; S241-Y244 PolarHBondContact O-N 3.13Å; S241-Y244 VanDerWaalsContact O-N 3.17Å; L242-Y244 VanDerWaalsContact C-N 3.3Å; L242-Y244 PolarHBondContact O-N 3.48Å; Y244-E246 VanDerWaalsContact C-N 3.31Å; Y244-E246 PolarHBondContact O-N 3.46Å |
| 245 | Y | 91.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 12% | 0.122 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 24.5 | 178.1 | -39.6 | -79.6 | 0 | 0 | 0 | 116.1 | R201 S241 L242 Y247 L594 | R201-Y245 PolarHBondContact NH1-OH 3.4Å; R201-Y245 VanDerWaalsContact NH2-CE1 3.34Å; R201-Y245 VanDerWaalsContact NH2-CZ 3.34Å; R201-Y245 PolarHBondContact NH2-OH 3.25Å; S241-Y245 PolarHBondContact O-N 3.32Å; L242-Y245 PolarHBondContact O-N 3.07Å; Y245-Y247 VanDerWaalsContact C-N 3.3Å; Y245-Y247 WeakPolarHBondContact CD1-OH 3.44Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.43Å; Y245-Y247 PolarHBondContact O-N 2.89Å; Y245-L594 WeakPolarHBondContact CB-O 3.39Å; Y245-L594 HydrophobicContact CD2-CB 4.23Å; Y245-L594 HydrophobicContact CD2-CD2 4.05Å |
| 246 | E | 92.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 31 Ų | 31 | 28% | 0.28 | 17% | 0.166 | S | C | . | . | trans | -90.7 | 62.9 | 175.4 | -63.2 | -174.7 | 157.8 | 0 | 0 | 110.9 | H210 S241 Y244 G248 S249 A250 | H210-E246 IonicContact CD2-OE2 2.72Å; H210-E246 IonicContact CE1-OE1 3.53Å; H210-E246 PolarHBondContact CE1-OE1 2.62Å; H210-E246 IonicContact CE1-OE2 3.69Å; H210-E246 VanDerWaalsContact NE2-CD 3.26Å; H210-E246 IonicContact NE2-OE1 2.64Å; H210-E246 PolarHBondContact NE2-OE1 2.81Å; H210-E246 IonicContact NE2-OE2 3.83Å; H210-E246 PolarHBondContact NE2-OE2 3.42Å; S241-E246 PolarHBondContact O-N 2.85Å; Y244-E246 VanDerWaalsContact C-N 3.31Å; Y244-E246 PolarHBondContact O-N 3.46Å; E246-G248 VanDerWaalsContact C-N 3.27Å; E246-G248 PolarHBondContact O-N 2.99Å; E246-S249 PolarHBondContact O-N 3.35Å; E246-A250 PolarHBondContact O-N 3.05Å | ||
| 247 | Y | 90.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -33.6 | -173.3 | -55.2 | -69.8 | 0 | 0 | 0 | 113.9 | L242 Y245 A250 K251 K360 N361 P596 | L242-Y247 HydrophobicContact CD2-CD1 3.84Å; L242-Y247 HydrophobicContact CD2-CE1 4.33Å; Y245-Y247 VanDerWaalsContact C-N 3.3Å; Y245-Y247 WeakPolarHBondContact CD1-OH 3.44Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.43Å; Y245-Y247 PolarHBondContact O-N 2.89Å; Y247-A250 PolarHBondContact O-N 3.22Å; Y247-K251 WeakPolarHBondContact O-CB 3.4Å; Y247-K251 PolarHBondContact O-N 3.02Å; Y247-K360 HydrophobicContact CE1-CB 4.05Å; Y247-N361 WeakPolarHBondContact CD1-OD1 3.2Å; Y247-P596 HydrophobicContact CD2-CG 4.31Å |
| 248 | G | 90.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 33.5 Ų | 33.5 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E246 A250 K251 E252 | E246-G248 VanDerWaalsContact C-N 3.27Å; E246-G248 PolarHBondContact O-N 2.99Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 3.36Å; G248-K251 PolarHBondContact O-N 2.66Å; G248-E252 WeakPolarHBondContact O-CG 3.44Å; G248-E252 PolarHBondContact O-N 3.47Å; G248-E252 VanDerWaalsContact O-N 3.09Å |
| 249 | S | 93.2 | Very high | 94 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 176 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | S241 E246 K251 E252 H253 | S241-S249 PolarHBondContact OG-OG 3.42Å; S241-S249 VanDerWaalsContact OG-OG 3.09Å; E246-S249 PolarHBondContact O-N 3.35Å; S249-K251 VanDerWaalsContact C-N 3.34Å; S249-K251 PolarHBondContact O-N 3.23Å; S249-E252 PolarHBondContact O-N 3.21Å; S249-H253 PolarHBondContact O-CD2 2.66Å; S249-H253 VanDerWaalsContact O-CD2 3.31Å; S249-H253 PolarHBondContact O-N 3.02Å; S249-H253 VanDerWaalsContact O-N 3.08Å |
| 250 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L242 E246 Y247 G248 E252 H253 I254 | L242-A250 HydrophobicContact CD2-CB 3.64Å; L242-A250 HydrophobicContact CG-CB 3.64Å; E246-A250 PolarHBondContact O-N 3.05Å; Y247-A250 PolarHBondContact O-N 3.22Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 3.36Å; A250-E252 PolarHBondContact O-N 3.39Å; A250-H253 PolarHBondContact O-N 3.34Å; A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 3.37Å |
| 251 | K | 94.6 | Very high | 93.5 | Very high | 118 Ų | 118 | 42.9 Ų | 42.9 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.3 | -174.1 | 172.5 | -176.6 | 173 | 0 | 112.5 | Y247 G248 S249 I254 N255 | Y247-K251 WeakPolarHBondContact O-CB 3.4Å; Y247-K251 PolarHBondContact O-N 3.02Å; G248-K251 PolarHBondContact O-N 2.66Å; S249-K251 VanDerWaalsContact C-N 3.34Å; S249-K251 PolarHBondContact O-N 3.23Å; K251-I254 PolarHBondContact O-N 2.84Å; K251-N255 WeakPolarHBondContact O-CB 3.34Å; K251-N255 PolarHBondContact O-N 2.87Å; K251-N255 PolarHBondContact O-ND2 3Å |
| 252 | E | 95.9 | Very high | 93.1 | Very high | 134 Ų | 134 | 43.1 Ų | 43.1 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59.1 | -51.4 | 174.5 | -73.3 | 175.2 | -176.1 | 0 | 0 | 111 | G248 S249 A250 I254 N255 T256 | G248-E252 WeakPolarHBondContact O-CG 3.44Å; G248-E252 PolarHBondContact O-N 3.47Å; G248-E252 VanDerWaalsContact O-N 3.09Å; S249-E252 PolarHBondContact O-N 3.21Å; A250-E252 PolarHBondContact O-N 3.39Å; E252-I254 PolarHBondContact O-N 2.82Å; E252-N255 PolarHBondContact O-N 3.19Å; E252-T256 PolarHBondContact O-N 2.89Å; E252-T256 PolarHBondContact O-OG1 3.12Å; E252-T256 VanDerWaalsContact O-OG1 3.09Å |
| 253 | H | 96.4 | Very high | 93 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.5 | -71 | -43.8 | 0 | 0 | 0 | 113.3 | H234 A238 S249 A250 T256 A257 | H234-H253 HydrophobicContact CB-CB 4.35Å; H234-H253 AromaticContact CE1-ND1 3.79Å; H234-H253 AromaticContact ND1-CE1 3.99Å; H234-H253 AromaticContact ND1-CG 3.92Å; H234-H253 AromaticContact ND1-ND1 3.14Å; H234-H253 PolarHBondContact ND1-ND1 2.95Å; H234-H253 VanDerWaalsContact ND1-ND1 3.14Å; H234-H253 WeakPolarHBondContact O-CB 3.5Å; A238-H253 HydrophobicContact CB-CB 4.07Å; S249-H253 PolarHBondContact O-CD2 2.66Å; S249-H253 VanDerWaalsContact O-CD2 3.31Å; S249-H253 PolarHBondContact O-N 3.02Å; S249-H253 VanDerWaalsContact O-N 3.08Å; A250-H253 PolarHBondContact O-N 3.34Å; H253-T256 PolarHBondContact O-N 2.84Å; H253-A257 WeakPolarHBondContact O-CB 3.28Å; H253-A257 PolarHBondContact O-N 3.11Å |
| 254 | I | 96.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.6 | -72.3 | 170.6 | 0 | 0 | 0 | 111.3 | A238 A250 K251 E252 A257 K258 V354 D357 | A238-I254 HydrophobicContact CB-CD1 4.12Å; A238-I254 HydrophobicContact CB-CG1 3.68Å; A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 3.37Å; K251-I254 PolarHBondContact O-N 2.84Å; E252-I254 PolarHBondContact O-N 2.82Å; I254-A257 PolarHBondContact O-N 2.96Å; I254-K258 WeakPolarHBondContact O-CG 3.33Å; I254-K258 PolarHBondContact O-N 3.31Å; I254-V354 HydrophobicContact CG2-CG2 3.76Å; I254-D357 HydrophobicContact CD1-CB 3.3Å |
| 255 | N | 95.9 | Very high | 92.8 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.4 | -70.1 | -24.5 | 0 | 0 | 0 | 111.2 | K251 E252 A257 K258 E259 | K251-N255 WeakPolarHBondContact O-CB 3.34Å; K251-N255 PolarHBondContact O-N 2.87Å; K251-N255 PolarHBondContact O-ND2 3Å; E252-N255 PolarHBondContact O-N 3.19Å; N255-A257 VanDerWaalsContact C-N 3.31Å; N255-A257 PolarHBondContact O-N 3Å; N255-K258 WeakPolarHBondContact O-CB 3.24Å; N255-K258 PolarHBondContact O-N 3.33Å; N255-K258 VanDerWaalsContact O-N 3.15Å; N255-E259 WeakPolarHBondContact O-CG 3.43Å; N255-E259 PolarHBondContact O-N 2.89Å |
| 256 | T | 94.8 | Very high | 92.9 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 172.9 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | H234 E252 H253 K258 E259 L260 | H234-T256 WeakPolarHBondContact NE2-CG2 3.34Å; E252-T256 PolarHBondContact O-N 2.89Å; E252-T256 PolarHBondContact O-OG1 3.12Å; E252-T256 VanDerWaalsContact O-OG1 3.09Å; H253-T256 PolarHBondContact O-N 2.84Å; T256-K258 VanDerWaalsContact C-N 3.34Å; T256-K258 PolarHBondContact O-N 2.98Å; T256-E259 PolarHBondContact O-N 3.45Å; T256-L260 HydrophobicContact CG2-CD1 4.05Å; T256-L260 HydrophobicContact CG2-CG 4.35Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.48Å; T256-L260 VanDerWaalsContact O-CG 3.24Å; T256-L260 WeakPolarHBondContact O-CG 3.38Å; T256-L260 PolarHBondContact O-N 3.34Å |
| 257 | A | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I231 H234 L235 H253 I254 N255 S261 L350 | I231-A257 HydrophobicContact CG2-CB 4.35Å; H234-A257 HydrophobicContact CB-CB 4.11Å; L235-A257 HydrophobicContact CD2-CB 4.32Å; L235-A257 HydrophobicContact CG-CB 4.47Å; H253-A257 WeakPolarHBondContact O-CB 3.28Å; H253-A257 PolarHBondContact O-N 3.11Å; I254-A257 PolarHBondContact O-N 2.96Å; N255-A257 VanDerWaalsContact C-N 3.31Å; N255-A257 PolarHBondContact O-N 3Å; A257-S261 WeakPolarHBondContact O-CB 3.35Å; A257-S261 PolarHBondContact O-N 2.9Å; A257-S261 PolarHBondContact O-OG 3.41Å; A257-L350 HydrophobicContact CB-CD1 3.78Å |
| 258 | K | 94 | Very high | 92.9 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 172.7 | -74 | 176.7 | -179.1 | 177.5 | 0 | 112 | I254 N255 T256 L260 S261 G262 L350 | I254-K258 WeakPolarHBondContact O-CG 3.33Å; I254-K258 PolarHBondContact O-N 3.31Å; N255-K258 WeakPolarHBondContact O-CB 3.24Å; N255-K258 PolarHBondContact O-N 3.33Å; N255-K258 VanDerWaalsContact O-N 3.15Å; T256-K258 VanDerWaalsContact C-N 3.34Å; T256-K258 PolarHBondContact O-N 2.98Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.15Å; K258-S261 WeakPolarHBondContact CA-OG 3.27Å; K258-S261 PolarHBondContact O-N 2.94Å; K258-S261 PolarHBondContact O-OG 3.16Å; K258-G262 PolarHBondContact O-N 3.45Å; K258-L350 HydrophobicContact CG-CD1 4.14Å; K258-L350 HydrophobicContact CG-CD2 4.17Å |
| 259 | E | 92.5 | Very high | 92.9 | Very high | 146 Ų | 146 | 49.4 Ų | 49.4 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57.8 | -46.4 | 176.3 | -70.6 | 169.1 | -173.2 | 0 | 0 | 110.9 | N255 T256 S261 G262 | N255-E259 WeakPolarHBondContact O-CG 3.43Å; N255-E259 PolarHBondContact O-N 2.89Å; T256-E259 PolarHBondContact O-N 3.45Å; E259-S261 VanDerWaalsContact C-N 3.26Å; E259-S261 PolarHBondContact O-N 3.23Å; E259-G262 PolarHBondContact O-N 2.97Å |
| 260 | L | 90.4 | Very high | 92.7 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.2 | -23.1 | 174.8 | -71.1 | 174 | 0 | 0 | 0 | 113 | R227 A230 I231 T256 K258 | R227-L260 WeakPolarHBondContact CG-O 3.39Å; R227-L260 PolarHBondContact NE-O 3.49Å; R227-L260 PolarHBondContact NH2-O 3.4Å; A230-L260 HydrophobicContact CB-CD1 3.81Å; I231-L260 HydrophobicContact CD1-CB 4.41Å; I231-L260 HydrophobicContact CG1-CB 3.74Å; T256-L260 HydrophobicContact CG2-CD1 4.05Å; T256-L260 HydrophobicContact CG2-CG 4.35Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.48Å; T256-L260 VanDerWaalsContact O-CG 3.24Å; T256-L260 WeakPolarHBondContact O-CG 3.38Å; T256-L260 PolarHBondContact O-N 3.34Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.15Å |
| 261 | S | 89.9 | Confident | 92.5 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -87.9 | -22 | 175.7 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | A257 K258 E259 L263 L350 | A257-S261 WeakPolarHBondContact O-CB 3.35Å; A257-S261 PolarHBondContact O-N 2.9Å; A257-S261 PolarHBondContact O-OG 3.41Å; K258-S261 WeakPolarHBondContact CA-OG 3.27Å; K258-S261 PolarHBondContact O-N 2.94Å; K258-S261 PolarHBondContact O-OG 3.16Å; E259-S261 VanDerWaalsContact C-N 3.26Å; E259-S261 PolarHBondContact O-N 3.23Å; S261-L263 PolarHBondContact O-N 3.35Å; S261-L263 WeakPolarHBondContact OG-CB 3.4Å; S261-L263 PolarHBondContact OG-N 3.49Å; S261-L263 VanDerWaalsContact OG-N 3.11Å; S261-L350 WeakPolarHBondContact OG-CD2 3.32Å |
| 262 | G | 88.7 | Confident | 92.4 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 13.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K258 E259 Q292 | K258-G262 PolarHBondContact O-N 3.45Å; E259-G262 PolarHBondContact O-N 2.97Å; G262-Q292 PolarHBondContact O-N 3.46Å |
| 263 | L | 89.9 | Confident | 92.1 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.8 | -174.3 | -157.5 | 71.6 | 0 | 0 | 0 | 111.5 | S261 I265 V289 R291 L343 E347 L350 V351 | S261-L263 PolarHBondContact O-N 3.35Å; S261-L263 WeakPolarHBondContact OG-CB 3.4Å; S261-L263 PolarHBondContact OG-N 3.49Å; S261-L263 VanDerWaalsContact OG-N 3.11Å; L263-I265 HydrophobicContact CD2-CD1 4.01Å; L263-I265 HydrophobicContact CD2-CG1 3.94Å; L263-I265 HydrophobicContact CG-CG1 4.13Å; L263-V289 HydrophobicContact CD1-CG1 3.47Å; L263-V289 VanDerWaalsContact CD1-CG1 3.47Å; L263-V289 HydrophobicContact CD2-CG1 3.79Å; L263-V289 HydrophobicContact CG-CG1 3.66Å; L263-R291 HydrophobicContact CD1-CG 4.09Å; L263-L343 HydrophobicContact CD1-CD2 4.19Å; L263-L343 HydrophobicContact CD2-CD2 4.39Å; L263-E347 HydrophobicContact CD2-CB 4.2Å; L263-E347 HydrophobicContact CD2-CG 4.37Å; L263-L350 HydrophobicContact CB-CD2 4.47Å; L263-V351 HydrophobicContact CD2-CG2 4.2Å |
| 264 | H | 90.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.6 | 170.5 | -67.5 | -60.1 | 0 | 0 | 0 | 110 | V289 K290 | H264-V289 WeakPolarHBondContact O-CA 3.38Å; H264-K290 PolarHBondContact N-O 3.49Å; H264-K290 PolarHBondContact O-N 3.47Å |
| 265 | I | 92.9 | Very high | 91.2 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.3 | -179.1 | -57.8 | 163.8 | 0 | 0 | 0 | 108.4 | L263 L287 L350 V351 V354 F375 | L263-I265 HydrophobicContact CD2-CD1 4.01Å; L263-I265 HydrophobicContact CD2-CG1 3.94Å; L263-I265 HydrophobicContact CG-CG1 4.13Å; I265-L287 HydrophobicContact CG2-CD1 3.59Å; I265-L287 HydrophobicContact CG2-CD2 3.78Å; I265-L287 HydrophobicContact CG2-CG 3.82Å; I265-L350 HydrophobicContact CD1-CG 4.31Å; I265-V351 HydrophobicContact CD1-CG2 3.89Å; I265-V351 HydrophobicContact CG1-CG2 4.4Å; I265-V354 HydrophobicContact CD1-CG2 4.01Å; I265-F375 HydrophobicContact CG2-CE1 3.99Å |
| 266 | N | 91.7 | Very high | 90.6 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.4 | -178.2 | -69.7 | -30.4 | 0 | 0 | 0 | 111.9 | E288 | N266-E288 PolarHBondContact N-O 3.06Å; N266-E288 PolarHBondContact O-N 3.32Å |
| 267 | M | 91.8 | Very high | 90.2 | Very high | 62 Ų | 62 | 56 Ų | 56 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.7 | 169.2 | -73.1 | -57 | -51.9 | 0 | 0 | 109.8 | L285 L287 E371 A374 F375 | M267-L285 HydrophobicContact CE-CB 3.89Å; M267-L285 HydrophobicContact CE-CD2 4.25Å; M267-L285 HydrophobicContact CE-CG 4.48Å; M267-L287 HydrophobicContact SD-CD1 3.61Å; M267-E371 HydrophobicContact CE-CB 4.29Å; M267-E371 HydrophobicContact CE-CG 4.21Å; M267-A374 HydrophobicContact CE-CB 3.83Å; M267-A374 HydrophobicContact SD-CB 4.35Å; M267-F375 HydrophobicContact SD-CD2 4.44Å; M267-F375 HydrophobicContact SD-CE2 3.87Å; M267-F375 HydrophobicContact SD-CZ 4.35Å |
| 268 | T | 91.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161.8 | 179.7 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | L285 L286 E288 | T268-L285 WeakPolarHBondContact O-CA 3.38Å; T268-L286 PolarHBondContact N-O 3Å; T268-L286 PolarHBondContact O-N 3.07Å; T268-L286 VanDerWaalsContact O-O 3.14Å; T268-L286 PolarHBondContact OG1-O 2.84Å; T268-E288 HydrophobicContact CG2-CB 3.53Å; T268-E288 HydrophobicContact CG2-CG 4.39Å |
| 269 | G | 90.1 | Very high | 89.6 | Confident | 48 Ų | 48 | 63 Ų | 63 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q284 | G269-Q284 CarbonylContact C-O 3.59Å; G269-Q284 VanDerWaalsContact CA-O 3.3Å; G269-Q284 WeakPolarHBondContact CA-O 3.22Å |
| 270 | A | 89.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G272 A283 Q284 L286 L332 Y338 | A270-G272 PolarHBondContact O-N 3.18Å; A270-A283 CarbonylContact O-C 3.48Å; A270-Q284 PolarHBondContact N-O 2.92Å; A270-Q284 PolarHBondContact O-N 3.41Å; A270-L286 HydrophobicContact CB-CD1 3.43Å; A270-L286 VanDerWaalsContact CB-CD1 3.43Å; A270-L286 HydrophobicContact CB-CG 4.23Å; A270-L332 HydrophobicContact CB-CD2 4.18Å; A270-Y338 HydrophobicContact CB-CD2 4.16Å; A270-Y338 HydrophobicContact CB-CE1 4.09Å; A270-Y338 HydrophobicContact CB-CE2 3.54Å; A270-Y338 VanDerWaalsContact CB-CZ 3.49Å |
| 271 | L | 91.5 | Very high | 89.4 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.9 | 175.7 | -72.6 | 177.3 | 0 | 0 | 0 | 110.2 | F281 A333 | L271-F281 HydrophobicContact CB-CB 3.91Å; L271-A333 HydrophobicContact CB-CB 4.14Å; L271-A333 PolarHBondContact O-N 3.16Å |
| 272 | G | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A270 L282 T331 | A270-G272 PolarHBondContact O-N 3.18Å; G272-L282 PolarHBondContact N-O 3.16Å; G272-L282 PolarHBondContact O-N 2.95Å; G272-L282 VanDerWaalsContact O-O 3.06Å; G272-T331 CarbonylContact C-O 3.59Å; G272-T331 VanDerWaalsContact CA-O 3.28Å; G272-T331 WeakPolarHBondContact CA-O 3.38Å |
| 273 | K | 90.2 | Very high | 89.5 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138 | 170.9 | -67.9 | 177.7 | 178.7 | -163.3 | 0 | 110.1 | Q278 E279 F281 L327 T331 | K273-Q278 HydrophobicContact CB-CB 4.46Å; K273-Q278 VanDerWaalsContact CD-O 3.25Å; K273-Q278 WeakPolarHBondContact CD-O 3.28Å; K273-Q278 WeakPolarHBondContact CE-O 3.41Å; K273-Q278 HydrophobicContact CG-CB 4.31Å; K273-Q278 HydrophobicContact CG-CG 4.2Å; K273-Q278 PolarHBondContact NZ-O 3.17Å; K273-E279 WeakPolarHBondContact CE-O 3.31Å; K273-E279 PolarHBondContact NZ-O 3.33Å; K273-F281 HydrophobicContact CD-CD1 4.31Å; K273-F281 HydrophobicContact CD-CE1 3.99Å; K273-F281 HydrophobicContact CD-CE2 4.42Å; K273-F281 HydrophobicContact CD-CZ 4.05Å; K273-F281 HydrophobicContact CG-CD1 3.74Å; K273-F281 HydrophobicContact CG-CE1 3.83Å; K273-F281 HydrophobicContact CG-CG 4.19Å; K273-F281 HydrophobicContact CG-CZ 4.36Å; K273-L327 HydrophobicContact CB-CD1 4.36Å; K273-T331 PolarHBondContact N-O 3.32Å; K273-T331 PolarHBondContact O-N 2.83Å; K273-T331 VanDerWaalsContact O-N 3.1Å |
| 274 | R | 85.7 | Confident | 89.4 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -14.3 | 176 | -61.3 | -171.7 | 91.6 | 129.5 | -16 | 113.6 | Q284 L327 I330 E370 | R274-Q284 HydrophobicContact CG-CG 4.47Å; R274-Q284 VanDerWaalsContact NH1-OE1 3.07Å; R274-L327 PolarHBondContact O-N 3.18Å; R274-I330 HydrophobicContact CG-CG1 4.46Å; R274-E370 IonicContact CZ-OE2 3.1Å; R274-E370 VanDerWaalsContact CZ-OE2 3.24Å; R274-E370 IonicContact NH1-OE2 3.91Å; R274-E370 PolarHBondContact NH1-OE2 3.42Å; R274-E370 IonicContact NH2-OE1 2.8Å; R274-E370 IonicContact NH2-OE2 2.79Å; R274-E370 PolarHBondContact NH2-OE2 2.96Å |
| 275 | T | 86.7 | Confident | 89.5 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150.7 | 179.1 | 69 | 0 | 0 | 0 | 0 | 111.5 | F277 Q278 T325 | T275-F277 PolarHBondContact O-N 3.34Å; T275-Q278 WeakPolarHBondContact O-CB 3.44Å; T275-Q278 PolarHBondContact O-N 2.84Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.48Å; T275-T325 CarbonylContact C-O 3.55Å; T275-T325 WeakPolarHBondContact CA-O 3.29Å; T275-T325 WeakPolarHBondContact CB-O 3.3Å |
| 276 | R | 85.3 | Confident | 89.4 | Confident | 141 Ų | 141 | 73.3 Ų | 73.3 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32 | -178.9 | -64.6 | -177.6 | -173.8 | -179.2 | 2.1 | 112.4 | D323 T325 L327 | R276-D323 PolarHBondContact NH2-O 3.4Å; R276-D323 VanDerWaalsContact NH2-O 3.15Å; R276-T325 PolarHBondContact N-O 3.44Å; R276-L327 HydrophobicContact CG-CD2 3.57Å; R276-L327 HydrophobicContact CG-CG 4.33Å |
| 277 | F | 86.4 | Confident | 89.4 | Confident | 160 Ų | 160 | 69.6 Ų | 69.6 | 70% | 0.702 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 2.3 | -176.7 | -53.4 | -73 | 0 | 0 | 0 | 114 | T275 E279 T325 | T275-F277 PolarHBondContact O-N 3.34Å; F277-E279 PolarHBondContact O-N 2.95Å; F277-T325 HydrophobicContact CE2-CG2 4.35Å |
| 278 | Q | 87.7 | Confident | 89.3 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | trans | -75.8 | 117.8 | -179.2 | -172.9 | 176.9 | -10.7 | 0 | 0 | 110.8 | K273 T275 K280 | K273-Q278 HydrophobicContact CB-CB 4.46Å; K273-Q278 VanDerWaalsContact CD-O 3.25Å; K273-Q278 WeakPolarHBondContact CD-O 3.28Å; K273-Q278 WeakPolarHBondContact CE-O 3.41Å; K273-Q278 HydrophobicContact CG-CB 4.31Å; K273-Q278 HydrophobicContact CG-CG 4.2Å; K273-Q278 PolarHBondContact NZ-O 3.17Å; T275-Q278 WeakPolarHBondContact O-CB 3.44Å; T275-Q278 PolarHBondContact O-N 2.84Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.48Å; Q278-K280 WeakPolarHBondContact CG-O 3.2Å; Q278-K280 PolarHBondContact NE2-O 3.27Å | ||
| 279 | E | 86.3 | Confident | 89.3 | Confident | 172 Ų | 172 | 67.7 Ų | 67.7 | 80% | 0.804 | 34% | 0.34 | S | S | * | . | trans | -80 | -45.3 | 177 | -67.2 | -177 | 173.2 | 0 | 0 | 112.3 | K273 F277 | K273-E279 WeakPolarHBondContact CE-O 3.31Å; K273-E279 PolarHBondContact NZ-O 3.33Å; F277-E279 PolarHBondContact O-N 2.95Å | ||
| 280 | K | 90.1 | Very high | 89.2 | Confident | 168 Ų | 168 | 70.8 Ų | 70.8 | 73% | 0.73 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -92.3 | 133.5 | -176.1 | -63.4 | -177.4 | -179.5 | 180 | 0 | 112.1 | Q278 | Q278-K280 WeakPolarHBondContact CG-O 3.2Å; Q278-K280 PolarHBondContact NE2-O 3.27Å |
| 281 | F | 89.3 | Confident | 89.1 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | trans | -69.6 | 134.3 | 169.4 | -66.9 | -94.7 | 0 | 0 | 0 | 110.2 | L271 K273 A333 | L271-F281 HydrophobicContact CB-CB 3.91Å; K273-F281 HydrophobicContact CD-CD1 4.31Å; K273-F281 HydrophobicContact CD-CE1 3.99Å; K273-F281 HydrophobicContact CD-CE2 4.42Å; K273-F281 HydrophobicContact CD-CZ 4.05Å; K273-F281 HydrophobicContact CG-CD1 3.74Å; K273-F281 HydrophobicContact CG-CE1 3.83Å; K273-F281 HydrophobicContact CG-CG 4.19Å; K273-F281 HydrophobicContact CG-CZ 4.36Å; F281-A333 HydrophobicContact CD1-CB 3.73Å; F281-A333 HydrophobicContact CD2-CB 4.27Å; F281-A333 HydrophobicContact CE1-CB 3.86Å; F281-A333 HydrophobicContact CE2-CB 4.37Å; F281-A333 HydrophobicContact CG-CB 3.96Å; F281-A333 HydrophobicContact CZ-CB 4.18Å | ||
| 282 | L | 90.7 | Very high | 88.5 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.5 | 177.4 | -66.5 | 176.2 | 0 | 0 | 0 | 109.2 | G272 Q284 | G272-L282 PolarHBondContact N-O 3.16Å; G272-L282 PolarHBondContact O-N 2.95Å; G272-L282 VanDerWaalsContact O-O 3.06Å; L282-Q284 PolarHBondContact O-N 3.46Å |
| 283 | A | 89.9 | Confident | 87.1 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 125.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | A270 | A270-A283 CarbonylContact O-C 3.48Å |
| 284 | Q | 89.1 | Confident | 85.5 | Confident | 20 Ų | 20 | 85.3 Ų | 85.3 | 9% | 0.093 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.8 | 176.4 | -61 | -52.6 | -45.9 | 0 | 0 | 109.1 | G269 A270 R274 L282 I330 | G269-Q284 CarbonylContact C-O 3.59Å; G269-Q284 VanDerWaalsContact CA-O 3.3Å; G269-Q284 WeakPolarHBondContact CA-O 3.22Å; A270-Q284 PolarHBondContact N-O 2.92Å; A270-Q284 PolarHBondContact O-N 3.41Å; R274-Q284 HydrophobicContact CG-CG 4.47Å; R274-Q284 VanDerWaalsContact NH1-OE1 3.07Å; L282-Q284 PolarHBondContact O-N 3.46Å; Q284-I330 HydrophobicContact CB-CD1 4.14Å; Q284-I330 HydrophobicContact CB-CG2 4.19Å; Q284-I330 HydrophobicContact CG-CD1 4.37Å; Q284-I330 HydrophobicContact CG-CG2 3.81Å |
| 285 | L | 91.2 | Very high | 84 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.5 | 175.3 | -70.4 | 171.2 | 0 | 0 | 0 | 109.7 | M267 T268 L367 E370 E371 | M267-L285 HydrophobicContact CE-CB 3.89Å; M267-L285 HydrophobicContact CE-CD2 4.25Å; M267-L285 HydrophobicContact CE-CG 4.48Å; T268-L285 WeakPolarHBondContact O-CA 3.38Å; L285-L367 HydrophobicContact CD1-CD1 4.13Å; L285-E370 HydrophobicContact CD1-CB 4.27Å; L285-E371 HydrophobicContact CD1-CG 3.84Å |
| 286 | L | 90.1 | Very high | 82.2 | Confident | 32 Ų | 32 | 91.2 Ų | 91.2 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.8 | 174.7 | -65.9 | 178.8 | 0 | 0 | 0 | 109.8 | T268 A270 L332 Y338 | T268-L286 PolarHBondContact N-O 3Å; T268-L286 PolarHBondContact O-N 3.07Å; T268-L286 VanDerWaalsContact O-O 3.14Å; T268-L286 PolarHBondContact OG1-O 2.84Å; A270-L286 HydrophobicContact CB-CD1 3.43Å; A270-L286 VanDerWaalsContact CB-CD1 3.43Å; A270-L286 HydrophobicContact CB-CG 4.23Å; L286-L332 HydrophobicContact CD1-CD1 3.62Å; L286-L332 HydrophobicContact CD1-CD2 3.77Å; L286-L332 HydrophobicContact CD1-CG 4.35Å; L286-Y338 HydrophobicContact CD1-CD1 4.4Å; L286-Y338 HydrophobicContact CD1-CG 4.25Å |
| 287 | L | 91.9 | Very high | 80.3 | Confident | 13 Ų | 13 | 92.7 Ų | 92.7 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.3 | 169.5 | -159.3 | 70.8 | 0 | 0 | 0 | 108.8 | I265 M267 V289 V351 F375 C378 | I265-L287 HydrophobicContact CG2-CD1 3.59Å; I265-L287 HydrophobicContact CG2-CD2 3.78Å; I265-L287 HydrophobicContact CG2-CG 3.82Å; M267-L287 HydrophobicContact SD-CD1 3.61Å; L287-V289 HydrophobicContact CD2-CG2 3.88Å; L287-V289 HydrophobicContact CG-CG2 3.99Å; L287-V351 HydrophobicContact CD2-CG1 3.79Å; L287-F375 HydrophobicContact CD1-CD1 3.94Å; L287-F375 HydrophobicContact CD1-CD2 4.49Å; L287-F375 HydrophobicContact CD1-CE1 3.58Å; L287-F375 HydrophobicContact CD1-CE2 4.18Å; L287-F375 HydrophobicContact CD1-CG 4.37Å; L287-F375 HydrophobicContact CD1-CZ 3.71Å; L287-F375 HydrophobicContact CD2-CD1 3.61Å; L287-F375 HydrophobicContact CD2-CE1 3.93Å; L287-F375 HydrophobicContact CD2-CG 4.27Å; L287-F375 HydrophobicContact CG-CD1 4.44Å; L287-F375 HydrophobicContact CG-CE1 4.43Å; L287-C378 HydrophobicContact CB-CB 4.17Å; L287-C378 HydrophobicContact CD2-CB 3.96Å |
| 288 | E | 90.7 | Very high | 78.5 | Confident | 48 Ų | 48 | 86.7 Ų | 86.7 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.4 | 168.9 | -175.6 | -178.6 | -132.5 | 0 | 0 | 108.4 | N266 T268 K290 | N266-E288 PolarHBondContact N-O 3.06Å; N266-E288 PolarHBondContact O-N 3.32Å; T268-E288 HydrophobicContact CG2-CB 3.53Å; T268-E288 HydrophobicContact CG2-CG 4.39Å; E288-K290 HydrophobicContact CG-CD 4.19Å; E288-K290 HydrophobicContact CG-CG 4.26Å; E288-K290 WeakPolarHBondContact OE1-CE 3.5Å; E288-K290 IonicContact OE1-NZ 3.92Å; E288-K290 PolarHBondContact OE1-NZ 3.47Å; E288-K290 IonicContact OE2-NZ 2.62Å |
| 289 | V | 90.4 | Very high | 76.9 | Confident | 5 Ų | 5 | 87.7 Ų | 87.7 | 3% | 0.03 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.2 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | L263 H264 L287 L340 P341 L343 | L263-V289 HydrophobicContact CD1-CG1 3.47Å; L263-V289 VanDerWaalsContact CD1-CG1 3.47Å; L263-V289 HydrophobicContact CD2-CG1 3.79Å; L263-V289 HydrophobicContact CG-CG1 3.66Å; H264-V289 WeakPolarHBondContact O-CA 3.38Å; L287-V289 HydrophobicContact CD2-CG2 3.88Å; L287-V289 HydrophobicContact CG-CG2 3.99Å; V289-L340 HydrophobicContact CB-CD2 3.96Å; V289-L340 HydrophobicContact CG2-CD2 4.08Å; V289-P341 HydrophobicContact CG1-CG 4.15Å; V289-P341 WeakPolarHBondContact O-CD 3.46Å; V289-L343 HydrophobicContact CG1-CD2 4.06Å |
| 290 | K | 89.5 | Confident | 75.2 | Confident | 113 Ų | 113 | 86.6 Ų | 86.6 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.6 | -178.3 | -73.3 | 174.2 | 168.3 | 166.3 | 0 | 110.5 | H264 E288 | H264-K290 PolarHBondContact N-O 3.49Å; H264-K290 PolarHBondContact O-N 3.47Å; E288-K290 HydrophobicContact CG-CD 4.19Å; E288-K290 HydrophobicContact CG-CG 4.26Å; E288-K290 WeakPolarHBondContact OE1-CE 3.5Å; E288-K290 IonicContact OE1-NZ 3.92Å; E288-K290 PolarHBondContact OE1-NZ 3.47Å; E288-K290 IonicContact OE2-NZ 2.62Å |
| 291 | R | 86.6 | Confident | 73.3 | Confident | 80 Ų | 80 | 88 Ų | 88 | 30% | 0.302 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.3 | 168.2 | -70 | -171 | 175.6 | 155.9 | 10.3 | 110.1 | L263 D299 D342 E347 | L263-R291 HydrophobicContact CD1-CG 4.09Å; R291-D299 IonicContact CZ-OD1 3.67Å; R291-D299 IonicContact CZ-OD2 3.98Å; R291-D299 VanDerWaalsContact NH1-CG 3.29Å; R291-D299 IonicContact NH1-OD1 3.8Å; R291-D299 PolarHBondContact NH1-OD1 3.36Å; R291-D299 VanDerWaalsContact NH1-OD1 3.16Å; R291-D299 IonicContact NH1-OD2 2.63Å; R291-D299 PolarHBondContact NH1-OD2 3.41Å; R291-D342 PolarHBondContact NH2-O 3.19Å; R291-E347 IonicContact CZ-OE1 3.07Å; R291-E347 IonicContact CZ-OE2 2.68Å; R291-E347 IonicContact NE-OE1 2.78Å; R291-E347 PolarHBondContact NE-OE1 2.86Å; R291-E347 IonicContact NE-OE2 3.42Å; R291-E347 IonicContact NH2-OE1 2.62Å; R291-E347 PolarHBondContact NH2-OE1 2.97Å; R291-E347 IonicContact NH2-OE2 3.91Å; R291-E347 PolarHBondContact NH2-OE2 2.65Å |
| 292 | Q | 79.4 | Confident | 71.8 | Confident | 103 Ų | 103 | 85.2 Ų | 85.2 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 133.8 | 174.8 | -169.8 | 170.2 | -8.6 | 0 | 0 | 111 | G262 G294 | G262-Q292 PolarHBondContact O-N 3.46Å; Q292-G294 PolarHBondContact O-N 3.07Å |
| 293 | E | 61 | Low | 70.4 | Confident | 197 Ų | 197 | 84.5 Ų | 84.5 | 92% | 0.921 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 126.2 | -178.4 | -67.2 | 179.3 | 176 | 0 | 0 | 111.2 | ||
| 294 | G | 57.4 | Low | 69.4 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 79% | 0.794 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | 2.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q292 | Q292-G294 PolarHBondContact O-N 3.07Š|
| 295 | E | 54.4 | Low | 68.9 | Low | 63 Ų | 63 | 86.8 Ų | 86.8 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | trans | -100.9 | 23.8 | -176.9 | -67.1 | -161.7 | 172.3 | 0 | 0 | 115.6 | R227 E297 A298 D299 | R227-E295 IonicContact CZ-OE2 3.2Å; R227-E295 IonicContact NH1-OE2 3.11Å; R227-E295 PolarHBondContact NH1-OE2 2.91Å; R227-E295 IonicContact NH2-OE1 2.62Å; R227-E295 IonicContact NH2-OE2 3Å; R227-E295 PolarHBondContact NH2-OE2 3.01Å; E295-E297 VanDerWaalsContact C-N 3.29Å; E295-E297 PolarHBondContact O-N 3.49Å; E295-A298 HydrophobicContact CB-CB 4.29Å; E295-A298 PolarHBondContact O-N 2.88Å; E295-A298 VanDerWaalsContact O-N 3.08Å; E295-D299 PolarHBondContact O-N 3.3Å | ||
| 296 | E | 49.2 | Very low | 68.6 | Low | 168 Ų | 168 | 84.6 Ų | 84.6 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.2 | -29 | -176.1 | -64.8 | -178.6 | 178.3 | 0 | 0 | 114.3 | ||
| 297 | E | 44.5 | Very low | 68.6 | Low | 171 Ų | 171 | 83.6 Ų | 83.6 | 80% | 0.799 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -81.3 | -25.5 | 175.2 | -69.6 | -173 | 167.4 | 0 | 0 | 113.2 | E295 | E295-E297 VanDerWaalsContact C-N 3.29Å; E295-E297 PolarHBondContact O-N 3.49Å |
| 298 | A | 49.8 | Very low | 68.5 | Low | 34 Ų | 34 | 87.6 Ų | 87.6 | 28% | 0.281 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.6 | -29.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E295 Q300 R301 V302 | E295-A298 HydrophobicContact CB-CB 4.29Å; E295-A298 PolarHBondContact O-N 2.88Å; E295-A298 VanDerWaalsContact O-N 3.08Å; A298-Q300 VanDerWaalsContact C-N 3.31Å; A298-Q300 PolarHBondContact O-N 2.98Å; A298-R301 PolarHBondContact O-N 2.94Å; A298-V302 WeakPolarHBondContact O-CG2 3.43Å; A298-V302 PolarHBondContact O-N 3.33Å; A298-V302 VanDerWaalsContact O-N 3.07Å |
| 299 | D | 52.5 | Low | 68.6 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 177.4 | -101 | -10.6 | 0 | 0 | 0 | 113 | R291 E295 R301 S303 | R291-D299 IonicContact CZ-OD1 3.67Å; R291-D299 IonicContact CZ-OD2 3.98Å; R291-D299 VanDerWaalsContact NH1-CG 3.29Å; R291-D299 IonicContact NH1-OD1 3.8Å; R291-D299 PolarHBondContact NH1-OD1 3.36Å; R291-D299 VanDerWaalsContact NH1-OD1 3.16Å; R291-D299 IonicContact NH1-OD2 2.63Å; R291-D299 PolarHBondContact NH1-OD2 3.41Å; E295-D299 PolarHBondContact O-N 3.3Å; D299-R301 PolarHBondContact O-N 2.89Å; D299-S303 VanDerWaalsContact O-CB 3.29Å; D299-S303 WeakPolarHBondContact O-CB 3.46Å; D299-S303 PolarHBondContact O-N 3.44Å |
| 300 | Q | 51.4 | Low | 68.6 | Low | 149 Ų | 149 | 88.9 Ų | 88.9 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 177.4 | -69.6 | -179.7 | 7.2 | 0 | 0 | 112.5 | A298 E304 | A298-Q300 VanDerWaalsContact C-N 3.31Å; A298-Q300 PolarHBondContact O-N 2.98Å; Q300-E304 PolarHBondContact O-N 2.9Å |
| 301 | R | 50.9 | Low | 68.7 | Low | 199 Ų | 199 | 86.8 Ų | 86.8 | 75% | 0.751 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -78.6 | -33.2 | 178.4 | -65.7 | -174.7 | -174.4 | 175.3 | 4.1 | 112.9 | A298 D299 S303 E304 T305 | A298-R301 PolarHBondContact O-N 2.94Å; D299-R301 PolarHBondContact O-N 2.89Å; R301-S303 VanDerWaalsContact C-N 3.34Å; R301-E304 PolarHBondContact O-N 3.5Å; R301-T305 PolarHBondContact O-N 2.66Å; R301-T305 PolarHBondContact O-OG1 2.89Å |
| 302 | V | 57.5 | Low | 68.8 | Low | 20 Ų | 20 | 90.5 Ų | 90.5 | 12% | 0.121 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 171.7 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | A298 E304 T305 S306 | A298-V302 WeakPolarHBondContact O-CG2 3.43Å; A298-V302 PolarHBondContact O-N 3.33Å; A298-V302 VanDerWaalsContact O-N 3.07Å; V302-E304 VanDerWaalsContact C-N 3.31Å; V302-E304 PolarHBondContact O-N 3.28Å; V302-T305 PolarHBondContact O-N 3.12Å; V302-T305 PolarHBondContact O-OG1 3.25Å; V302-S306 WeakPolarHBondContact O-CB 3.29Å; V302-S306 PolarHBondContact O-N 3.04Å |
| 303 | S | 60.5 | Low | 69.2 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -31 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 113.9 | D299 R301 | D299-S303 VanDerWaalsContact O-CB 3.29Å; D299-S303 WeakPolarHBondContact O-CB 3.46Å; D299-S303 PolarHBondContact O-N 3.44Å; R301-S303 VanDerWaalsContact C-N 3.34Å |
| 304 | E | 68.6 | Low | 70.6 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -77.5 | -27.5 | 176.6 | -76.1 | -171.6 | 169.6 | 0 | 0 | 113.3 | Q300 R301 V302 | Q300-E304 PolarHBondContact O-N 2.9Å; R301-E304 PolarHBondContact O-N 3.5Å; V302-E304 VanDerWaalsContact C-N 3.31Å; V302-E304 PolarHBondContact O-N 3.28Å |
| 305 | T | 79.4 | Confident | 72.2 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -99.4 | -10 | -174.7 | 53 | 0 | 0 | 0 | 0 | 113.7 | R11 F13 S228 R301 V302 | R11-T305 WeakPolarHBondContact CD-O 3.33Å; F13-T305 WeakPolarHBondContact CZ-O 3.34Å; S228-T305 PolarHBondContact OG-OG1 2.76Å; S228-T305 VanDerWaalsContact OG-OG1 3.06Å; R301-T305 PolarHBondContact O-N 2.66Å; R301-T305 PolarHBondContact O-OG1 2.89Å; V302-T305 PolarHBondContact O-N 3.12Å; V302-T305 PolarHBondContact O-OG1 3.25Å |
| 306 | S | 85.6 | Confident | 73.9 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -86.4 | 144.4 | 172.8 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | F13 V302 A345 E346 | F13-S306 WeakPolarHBondContact CZ-O 3.43Å; V302-S306 WeakPolarHBondContact O-CB 3.29Å; V302-S306 PolarHBondContact O-N 3.04Å; S306-A345 PolarHBondContact OG-N 2.75Å; S306-E346 WeakPolarHBondContact CB-OE2 3.32Å; S306-E346 PolarHBondContact OG-OE2 3.05Å |
| 307 | P | 88.5 | Confident | 75.9 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.071 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -66 | 148.6 | 178 | 26.5 | -34 | 0 | 0 | 0 | 111.9 | F13 A345 F385 K433 V434 | F13-P307 HydrophobicContact CD1-CB 4.33Å; F13-P307 HydrophobicContact CE1-CB 3.72Å; F13-P307 HydrophobicContact CE1-CG 4.45Å; F13-P307 HydrophobicContact CZ-CB 4.33Å; P307-A345 HydrophobicContact CG-CB 3.57Å; P307-F385 HydrophobicContact CG-CE1 4.14Å; P307-F385 WeakPolarHBondContact O-CE1 3.47Å; P307-K433 HydrophobicContact CB-CD 4.03Å; P307-K433 HydrophobicContact CB-CG 4.07Å; P307-V434 HydrophobicContact CG-CG1 4.28Å |
| 308 | T | 90.3 | Very high | 78.1 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 60% | 0.595 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.5 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | F385 K433 | T308-F385 WeakPolarHBondContact O-CE1 3.48Å; T308-K433 PolarHBondContact O-NZ 2.94Å; T308-K433 PolarHBondContact OG1-NZ 3.41Å |
| 309 | P | 92.1 | Very high | 80 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.4 | 175.7 | -25.3 | 34.7 | 0 | 0 | 0 | 112.6 | K384 | P309-K384 HydrophobicContact CB-CB 4.23Å; P309-K384 HydrophobicContact CB-CG 4.39Å; P309-K384 HydrophobicContact CG-CD 4.44Å |
| 310 | T | 91.7 | Very high | 81.6 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 139.5 | 172.6 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | Q312 L315 K384 E430 | T310-Q312 PolarHBondContact O-N 3.33Å; T310-L315 HydrophobicContact CG2-CD2 3.93Å; T310-L315 HydrophobicContact CG2-CG 4.36Å; T310-K384 WeakPolarHBondContact CB-O 3.36Å; T310-K384 PolarHBondContact N-O 3.16Å; T310-E430 VanDerWaalsContact CA-OE2 3.26Å; T310-E430 WeakPolarHBondContact CA-OE2 3.38Å; T310-E430 WeakPolarHBondContact CB-OE2 3.25Å; T310-E430 HydrophobicContact CG2-CB 4.07Å; T310-E430 HydrophobicContact CG2-CG 4.47Å; T310-E430 PolarHBondContact OG1-OE2 2.91Å |
| 311 | P | 91.8 | Very high | 83.1 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 135.8 | 175.9 | -26 | 34.6 | 0 | 0 | 0 | 111.8 | A313 S314 | P311-A313 PolarHBondContact O-N 3.06Å; P311-A313 VanDerWaalsContact O-N 3.13Å; P311-S314 WeakPolarHBondContact O-CA 3.49Å; P311-S314 WeakPolarHBondContact O-CB 3.34Å; P311-S314 PolarHBondContact O-N 3.34Å |
| 312 | Q | 88.5 | Confident | 84.4 | Confident | 158 Ų | 158 | 63.2 Ų | 63.2 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -57.5 | -32.6 | -176.6 | -71.9 | -172.8 | -17.3 | 0 | 0 | 113.6 | T310 S314 L315 | T310-Q312 PolarHBondContact O-N 3.33Å; Q312-S314 PolarHBondContact O-N 3.28Å; Q312-L315 PolarHBondContact O-N 3.37Å |
| 313 | A | 88.1 | Confident | 85.7 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 80% | 0.802 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -66 | -21.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P311 | P311-A313 PolarHBondContact O-N 3.06Å; P311-A313 VanDerWaalsContact O-N 3.13Å |
| 314 | S | 89.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -94.9 | -6 | -177.7 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | P311 Q312 H420 | P311-S314 WeakPolarHBondContact O-CA 3.49Å; P311-S314 WeakPolarHBondContact O-CB 3.34Å; P311-S314 PolarHBondContact O-N 3.34Å; Q312-S314 PolarHBondContact O-N 3.28Å; S314-H420 PolarHBondContact O-CE1 2.8Å; S314-H420 PolarHBondContact O-NE2 3.34Å |
| 315 | L | 91.2 | Very high | 87.5 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -83.2 | 149 | 177 | -66.7 | 177.5 | 0 | 0 | 0 | 111 | T310 Q312 P383 W386 E389 | T310-L315 HydrophobicContact CG2-CD2 3.93Å; T310-L315 HydrophobicContact CG2-CG 4.36Å; Q312-L315 PolarHBondContact O-N 3.37Å; L315-P383 HydrophobicContact CD1-CB 3.93Å; L315-P383 WeakPolarHBondContact CD1-O 3.45Å; L315-W386 HydrophobicContact CD2-CB 4.18Å; L315-E389 HydrophobicContact CD2-CG 4.22Å |
| 316 | P | 90.6 | Very high | 87.9 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -62 | 143.8 | 175.5 | 28 | -35.7 | 0 | 0 | 0 | 110.8 | D318 E389 V390 L393 | P316-D318 PolarHBondContact O-N 2.85Å; P316-E389 HydrophobicContact CG-CB 4.15Å; P316-V390 HydrophobicContact CG-CG2 4.01Å; P316-L393 HydrophobicContact CB-CD1 4.18Å; P316-L393 HydrophobicContact CG-CD1 3.77Å |
| 317 | K | 90.2 | Very high | 87.8 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 123.5 | 178.7 | -177.1 | 178.1 | 172.1 | -169.4 | 0 | 111.1 | Y319 Q413 | K317-Y319 HydrophobicContact CB-CE2 4.17Å; K317-Y319 HydrophobicContact CD-CD2 4.3Å; K317-Y319 HydrophobicContact CD-CE1 4.45Å; K317-Y319 HydrophobicContact CD-CE2 3.69Å; K317-Y319 HydrophobicContact CG-CD2 4.16Å; K317-Y319 HydrophobicContact CG-CE2 3.93Å; K317-Q413 PolarHBondContact O-NE2 3.17Å; K317-Q413 PolarHBondContact O-OE1 3.37Å |
| 318 | D | 91.3 | Very high | 87.4 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | trans | -81.1 | 115 | 167.3 | -173.4 | 7.9 | 0 | 0 | 0 | 109.4 | P316 R396 | P316-D318 PolarHBondContact O-N 2.85Å; D318-R396 IonicContact OD1-CZ 2.76Å; D318-R396 VanDerWaalsContact OD1-CZ 3.28Å; D318-R396 IonicContact OD1-NH1 3.94Å; D318-R396 PolarHBondContact OD1-NH1 3.23Å; D318-R396 IonicContact OD1-NH2 2.64Å; D318-R396 PolarHBondContact OD1-NH2 2.98Å; D318-R396 IonicContact OD2-NH1 2.77Å | ||
| 319 | Y | 90.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 24% | 0.239 | 35% | 0.354 | C | S | . | . | trans | -84.2 | 130.2 | 179.1 | -84 | -99.5 | 0 | 0 | 0 | 111.2 | K317 R409 M412 A416 | K317-Y319 HydrophobicContact CB-CE2 4.17Å; K317-Y319 HydrophobicContact CD-CD2 4.3Å; K317-Y319 HydrophobicContact CD-CE1 4.45Å; K317-Y319 HydrophobicContact CD-CE2 3.69Å; K317-Y319 HydrophobicContact CG-CD2 4.16Å; K317-Y319 HydrophobicContact CG-CE2 3.93Å; Y319-R409 VanDerWaalsContact O-CD 3.3Å; Y319-R409 WeakPolarHBondContact O-CD 3.46Å; Y319-M412 HydrophobicContact CD1-CB 4.29Å; Y319-M412 HydrophobicContact CE1-CE 4.19Å; Y319-M412 HydrophobicContact CG-CB 4.45Å; Y319-A416 HydrophobicContact CD2-CB 4.13Å; Y319-A416 HydrophobicContact CE2-CB 3.5Å; Y319-A416 VanDerWaalsContact CE2-CB 3.5Å | ||
| 320 | H | 86 | Confident | 86.8 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | trans | -70.6 | 151.5 | 174.2 | -67.1 | -63.4 | 0 | 0 | 0 | 112.1 | D322 D328 | H320-D322 PolarHBondContact O-N 2.92Å; H320-D328 IonicContact CE1-OD2 3.9Å; H320-D328 IonicContact CG-OD2 3.3Å; H320-D328 IonicContact ND1-OD2 3.04Å; H320-D328 PolarHBondContact ND1-OD2 3.23Å | ||
| 321 | L | 83.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | trans | -75.5 | 97.5 | 168.2 | -166.9 | 73.4 | 0 | 0 | 0 | 110.3 | D323 L326 D328 C406 R409 | L321-D323 HydrophobicContact CD2-CB 4.12Å; L321-D323 HydrophobicContact CG-CB 3.88Å; L321-D323 PolarHBondContact O-N 3.23Å; L321-L326 HydrophobicContact CD2-CB 3.83Å; L321-L326 HydrophobicContact CD2-CD2 3.18Å; L321-L326 HydrophobicContact CD2-CG 4.06Å; L321-D328 HydrophobicContact CB-CB 4.16Å; L321-D328 WeakPolarHBondContact CB-OD1 3.38Å; L321-D328 PolarHBondContact N-OD1 2.91Å; L321-C406 HydrophobicContact CD1-CB 4.43Å; L321-R409 HydrophobicContact CD1-CB 4.07Å | ||
| 322 | D | 78.6 | Confident | 86.4 | Confident | 154 Ų | 154 | 67.8 Ų | 67.8 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | trans | -77.7 | 49.3 | 174.8 | -66.2 | -34.6 | 0 | 0 | 0 | 112 | H320 | H320-D322 PolarHBondContact O-N 2.92Š| ||
| 323 | D | 85.1 | Confident | 86.3 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | trans | -101.9 | 137.9 | 178.3 | -173.8 | -86.1 | 0 | 0 | 0 | 111.2 | R276 L321 T325 L326 | R276-D323 PolarHBondContact NH2-O 3.4Å; R276-D323 VanDerWaalsContact NH2-O 3.15Å; L321-D323 HydrophobicContact CD2-CB 4.12Å; L321-D323 HydrophobicContact CG-CB 3.88Å; L321-D323 PolarHBondContact O-N 3.23Å; D323-T325 PolarHBondContact O-N 2.81Å; D323-T325 VanDerWaalsContact OD1-CA 3.32Å; D323-T325 WeakPolarHBondContact OD1-CA 3.39Å; D323-T325 WeakPolarHBondContact OD1-CB 3.42Å; D323-T325 PolarHBondContact OD1-N 3.21Å; D323-T325 PolarHBondContact OD1-OG1 3.38Å; D323-L326 HydrophobicContact CB-CB 4.46Å; D323-L326 PolarHBondContact OD1-N 3.16Å | ||
| 324 | D | 81.6 | Confident | 86.1 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 68% | 0.684 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.7 | -16 | -178.1 | -73.5 | -33.1 | 0 | 0 | 0 | 113.6 | ||
| 325 | T | 84.7 | Confident | 85.8 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -115.6 | -46.9 | -172.3 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | T275 R276 F277 D323 R405 | T275-T325 CarbonylContact C-O 3.55Å; T275-T325 WeakPolarHBondContact CA-O 3.29Å; T275-T325 WeakPolarHBondContact CB-O 3.3Å; R276-T325 PolarHBondContact N-O 3.44Å; F277-T325 HydrophobicContact CE2-CG2 4.35Å; D323-T325 PolarHBondContact O-N 2.81Å; D323-T325 VanDerWaalsContact OD1-CA 3.32Å; D323-T325 WeakPolarHBondContact OD1-CA 3.39Å; D323-T325 WeakPolarHBondContact OD1-CB 3.42Å; D323-T325 PolarHBondContact OD1-N 3.21Å; D323-T325 PolarHBondContact OD1-OG1 3.38Å; T325-R405 PolarHBondContact OG1-NH1 3.15Å |
| 326 | L | 86.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.6 | -173 | -158.1 | 141.1 | 0 | 0 | 0 | 109.9 | L321 D323 | L321-L326 HydrophobicContact CD2-CB 3.83Å; L321-L326 HydrophobicContact CD2-CD2 3.18Å; L321-L326 HydrophobicContact CD2-CG 4.06Å; D323-L326 HydrophobicContact CB-CB 4.46Å; D323-L326 PolarHBondContact OD1-N 3.16Å |
| 327 | L | 84.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.7 | 178.4 | -66.1 | 169.1 | 0 | 0 | 0 | 110 | K273 R274 R276 R329 | K273-L327 HydrophobicContact CB-CD1 4.36Å; R274-L327 PolarHBondContact O-N 3.18Å; R276-L327 HydrophobicContact CG-CD2 3.57Å; R276-L327 HydrophobicContact CG-CG 4.33Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 WeakPolarHBondContact CB-O 3.3Å; L327-R329 PolarHBondContact O-N 3.46Å |
| 328 | D | 80.5 | Confident | 84.4 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | -39.1 | 176.1 | -173.2 | 54.2 | 0 | 0 | 0 | 112.4 | H320 L321 R409 | H320-D328 IonicContact CE1-OD2 3.9Å; H320-D328 IonicContact CG-OD2 3.3Å; H320-D328 IonicContact ND1-OD2 3.04Å; H320-D328 PolarHBondContact ND1-OD2 3.23Å; L321-D328 HydrophobicContact CB-CB 4.16Å; L321-D328 WeakPolarHBondContact CB-OD1 3.38Å; L321-D328 PolarHBondContact N-OD1 2.91Å; D328-R409 IonicContact OD1-NH1 3.64Å; D328-R409 PolarHBondContact OD1-NH1 3.09Å |
| 329 | R | 83.7 | Confident | 84 | Confident | 143 Ų | 143 | 78.6 Ų | 78.6 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.3 | 174.6 | -62.6 | -176.5 | -179.6 | -164.8 | -5.2 | 110.7 | L327 T331 | L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 WeakPolarHBondContact CB-O 3.3Å; L327-R329 PolarHBondContact O-N 3.46Å; R329-T331 PolarHBondContact O-N 3.4Å |
| 330 | I | 85.4 | Confident | 83.7 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 124.6 | 177 | -57.9 | 178.3 | 0 | 0 | 0 | 108.9 | R274 Q284 L332 | R274-I330 HydrophobicContact CG-CG1 4.46Å; Q284-I330 HydrophobicContact CB-CD1 4.14Å; Q284-I330 HydrophobicContact CB-CG2 4.19Å; Q284-I330 HydrophobicContact CG-CD1 4.37Å; Q284-I330 HydrophobicContact CG-CG2 3.81Å; I330-L332 HydrophobicContact CG2-CD2 3.81Å |
| 331 | T | 85.9 | Confident | 83.8 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.1 | 174.3 | -51.6 | 0 | 0 | 0 | 0 | 109.2 | G272 K273 R329 | G272-T331 CarbonylContact C-O 3.59Å; G272-T331 VanDerWaalsContact CA-O 3.28Å; G272-T331 WeakPolarHBondContact CA-O 3.38Å; K273-T331 PolarHBondContact N-O 3.32Å; K273-T331 PolarHBondContact O-N 2.83Å; K273-T331 VanDerWaalsContact O-N 3.1Å; R329-T331 PolarHBondContact O-N 3.4Å |
| 332 | L | 88.3 | Confident | 84.1 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 150.3 | -178.9 | -56.9 | 179 | 0 | 0 | 0 | 111.6 | A270 L286 I330 Y338 | A270-L332 HydrophobicContact CB-CD2 4.18Å; L286-L332 HydrophobicContact CD1-CD1 3.62Å; L286-L332 HydrophobicContact CD1-CD2 3.77Å; L286-L332 HydrophobicContact CD1-CG 4.35Å; I330-L332 HydrophobicContact CG2-CD2 3.81Å; L332-Y338 HydrophobicContact CD1-CD2 4.28Å |
| 333 | A | 86.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 72 Ų | 72 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -68.5 | -40.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L271 F281 | L271-A333 HydrophobicContact CB-CB 4.14Å; L271-A333 PolarHBondContact O-N 3.16Å; F281-A333 HydrophobicContact CD1-CB 3.73Å; F281-A333 HydrophobicContact CD2-CB 4.27Å; F281-A333 HydrophobicContact CE1-CB 3.86Å; F281-A333 HydrophobicContact CE2-CB 4.37Å; F281-A333 HydrophobicContact CG-CB 3.96Å; F281-A333 HydrophobicContact CZ-CB 4.18Å |
| 334 | E | 85.6 | Confident | 85.1 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | trans | -131.6 | 78.2 | -175.6 | -67.5 | 174.8 | -179.7 | 0 | 0 | 109.2 | D336 L337 Y338 | E334-D336 VanDerWaalsContact C-N 3.26Å; E334-D336 PolarHBondContact O-N 3.44Å; E334-L337 HydrophobicContact CB-CD1 3.99Å; E334-L337 HydrophobicContact CB-CG 4.28Å; E334-L337 WeakPolarHBondContact OE2-CD1 3.22Å; E334-Y338 WeakPolarHBondContact O-CD2 3.45Å | ||
| 335 | P | 82.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -65.2 | -29.2 | -175.6 | 25.9 | -33.9 | 0 | 0 | 0 | 113.1 | L337 Y338 | P335-L337 VanDerWaalsContact C-N 3.25Å; P335-L337 PolarHBondContact O-N 3.39Å; P335-Y338 PolarHBondContact O-N 3.13Å; P335-Y338 VanDerWaalsContact O-N 3.17Å |
| 336 | D | 82.1 | Confident | 86 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 65% | 0.647 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.6 | -25.1 | -175.4 | -62.1 | -38.1 | 0 | 0 | 0 | 113.6 | E334 Y338 Q339 | E334-D336 VanDerWaalsContact C-N 3.26Å; E334-D336 PolarHBondContact O-N 3.44Å; D336-Y338 VanDerWaalsContact C-N 3.25Å; D336-Y338 PolarHBondContact O-N 3.4Å; D336-Q339 PolarHBondContact OD1-NE2 3.29Å |
| 337 | L | 79.4 | Confident | 86.3 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -73 | -18.7 | 177.9 | -67.1 | -179.5 | 0 | 0 | 0 | 113.4 | E334 P335 | E334-L337 HydrophobicContact CB-CD1 3.99Å; E334-L337 HydrophobicContact CB-CG 4.28Å; E334-L337 WeakPolarHBondContact OE2-CD1 3.22Å; P335-L337 VanDerWaalsContact C-N 3.25Å; P335-L337 PolarHBondContact O-N 3.39Å |
| 338 | Y | 80.9 | Confident | 86.8 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -121.2 | 30.4 | -172 | -56.8 | -81.3 | 0 | 0 | 0 | 112 | A270 L286 L332 E334 P335 D336 L340 | A270-Y338 HydrophobicContact CB-CD2 4.16Å; A270-Y338 HydrophobicContact CB-CE1 4.09Å; A270-Y338 HydrophobicContact CB-CE2 3.54Å; A270-Y338 VanDerWaalsContact CB-CZ 3.49Å; L286-Y338 HydrophobicContact CD1-CD1 4.4Å; L286-Y338 HydrophobicContact CD1-CG 4.25Å; L332-Y338 HydrophobicContact CD1-CD2 4.28Å; E334-Y338 WeakPolarHBondContact O-CD2 3.45Å; P335-Y338 PolarHBondContact O-N 3.13Å; P335-Y338 VanDerWaalsContact O-N 3.17Å; D336-Y338 VanDerWaalsContact C-N 3.25Å; D336-Y338 PolarHBondContact O-N 3.4Å; Y338-L340 PolarHBondContact O-N 3Å |
| 339 | Q | 81.9 | Confident | 87.6 | Confident | 142 Ų | 142 | 58.2 Ų | 58.2 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 127.6 | 174.6 | -69.4 | -178 | 4.7 | 0 | 0 | 110.2 | D336 | D336-Q339 PolarHBondContact OD1-NE2 3.29Š|
| 340 | L | 85.3 | Confident | 88.2 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.288 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 139.2 | 178.9 | -67.5 | 168.4 | 0 | 0 | 0 | 110.1 | V289 Y338 S381 | V289-L340 HydrophobicContact CB-CD2 3.96Å; V289-L340 HydrophobicContact CG2-CD2 4.08Å; Y338-L340 PolarHBondContact O-N 3Å; L340-S381 WeakPolarHBondContact CD1-OG 3.49Å |
| 341 | P | 88.6 | Confident | 88.7 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 157.8 | 170.6 | 28.3 | -33.3 | 0 | 0 | 0 | 110.7 | V289 L343 Q382 | V289-P341 HydrophobicContact CG1-CG 4.15Å; V289-P341 WeakPolarHBondContact O-CD 3.46Å; P341-L343 HydrophobicContact CG-CD2 3.98Å; P341-L343 PolarHBondContact O-N 2.87Å; P341-L343 VanDerWaalsContact O-N 3.14Å; P341-Q382 PolarHBondContact O-NE2 3.07Å; P341-Q382 PolarHBondContact O-OE1 2.97Å |
| 342 | D | 89.4 | Confident | 89.2 | Confident | 112 Ų | 112 | 45.4 Ų | 45.4 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | trans | -73.5 | 103.4 | 177.8 | -167.9 | 51.3 | 0 | 0 | 0 | 110.5 | R291 K384 | R291-D342 PolarHBondContact NH2-O 3.19Å; D342-K384 VanDerWaalsContact OD1-CE 3.29Å; D342-K384 WeakPolarHBondContact OD1-CE 3.18Å; D342-K384 IonicContact OD1-NZ 3.85Å; D342-K384 PolarHBondContact OD1-NZ 3.31Å; D342-K384 IonicContact OD2-NZ 2.83Å; D342-K384 PolarHBondContact OD2-NZ 3.2Å | ||
| 343 | L | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -81.5 | 137.2 | -169.3 | -59.8 | 179 | 0 | 0 | 0 | 112.4 | L263 V289 P341 E347 Q348 K384 | L263-L343 HydrophobicContact CD1-CD2 4.19Å; L263-L343 HydrophobicContact CD2-CD2 4.39Å; V289-L343 HydrophobicContact CG1-CD2 4.06Å; P341-L343 HydrophobicContact CG-CD2 3.98Å; P341-L343 PolarHBondContact O-N 2.87Å; P341-L343 VanDerWaalsContact O-N 3.14Å; L343-E347 VanDerWaalsContact CA-OE2 3.32Å; L343-E347 WeakPolarHBondContact CA-OE2 3.47Å; L343-E347 HydrophobicContact CB-CB 4.21Å; L343-E347 HydrophobicContact CD2-CB 4.2Å; L343-Q348 HydrophobicContact CB-CG 3.7Å; L343-Q348 HydrophobicContact CD1-CG 4.21Å; L343-K384 PolarHBondContact O-NZ 3.19Å | ||
| 344 | S | 92.1 | Very high | 90 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | trans | -75.3 | 174.2 | 170.9 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | E346 E347 Q348 | S344-E346 PolarHBondContact O-N 3.07Å; S344-E347 PolarHBondContact N-OE2 2.78Å; S344-E347 PolarHBondContact O-N 2.97Å; S344-E347 WeakPolarHBondContact OG-CG 3.44Å; S344-E347 PolarHBondContact OG-N 3.05Å; S344-E347 PolarHBondContact OG-OE2 3.48Å; S344-Q348 WeakPolarHBondContact O-CG 3.39Å; S344-Q348 PolarHBondContact O-N 3.14Å | ||
| 345 | A | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S306 P307 Q348 A349 F385 V434 | S306-A345 PolarHBondContact OG-N 2.75Å; P307-A345 HydrophobicContact CG-CB 3.57Å; A345-Q348 PolarHBondContact O-N 2.82Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.21Å; A345-F385 HydrophobicContact CB-CD1 4.14Å; A345-F385 HydrophobicContact CB-CD2 3.91Å; A345-F385 HydrophobicContact CB-CE1 3.74Å; A345-F385 HydrophobicContact CB-CE2 3.52Å; A345-F385 HydrophobicContact CB-CG 4.22Å; A345-F385 HydrophobicContact CB-CZ 3.42Å; A345-F385 VanDerWaalsContact CB-CZ 3.42Å; A345-V434 HydrophobicContact CB-CG1 3.67Å; A345-V434 HydrophobicContact CB-CG2 4.32Å |
| 346 | E | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 179.2 | -67.5 | 74.6 | -163.8 | 0 | 0 | 111.7 | I231 Q232 S306 S344 A349 L350 | I231-E346 HydrophobicContact CB-CB 4.34Å; I231-E346 HydrophobicContact CD1-CB 4.33Å; I231-E346 HydrophobicContact CG2-CB 3.98Å; Q232-E346 HydrophobicContact CG-CG 3.95Å; Q232-E346 PolarHBondContact NE2-OE1 2.83Å; S306-E346 WeakPolarHBondContact CB-OE2 3.32Å; S306-E346 PolarHBondContact OG-OE2 3.05Å; S344-E346 PolarHBondContact O-N 3.07Å; E346-A349 PolarHBondContact O-N 3.32Å; E346-L350 VanDerWaalsContact O-CB 3.28Å; E346-L350 WeakPolarHBondContact O-CB 3.32Å; E346-L350 PolarHBondContact O-N 3.05Å |
| 347 | E | 93.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 176.1 | -72.1 | 174.9 | 141.1 | 0 | 0 | 111.4 | L263 R291 L343 S344 L350 V351 | L263-E347 HydrophobicContact CD2-CB 4.2Å; L263-E347 HydrophobicContact CD2-CG 4.37Å; R291-E347 IonicContact CZ-OE1 3.07Å; R291-E347 IonicContact CZ-OE2 2.68Å; R291-E347 IonicContact NE-OE1 2.78Å; R291-E347 PolarHBondContact NE-OE1 2.86Å; R291-E347 IonicContact NE-OE2 3.42Å; R291-E347 IonicContact NH2-OE1 2.62Å; R291-E347 PolarHBondContact NH2-OE1 2.97Å; R291-E347 IonicContact NH2-OE2 3.91Å; R291-E347 PolarHBondContact NH2-OE2 2.65Å; L343-E347 VanDerWaalsContact CA-OE2 3.32Å; L343-E347 WeakPolarHBondContact CA-OE2 3.47Å; L343-E347 HydrophobicContact CB-CB 4.21Å; L343-E347 HydrophobicContact CD2-CB 4.2Å; S344-E347 PolarHBondContact N-OE2 2.78Å; S344-E347 PolarHBondContact O-N 2.97Å; S344-E347 WeakPolarHBondContact OG-CG 3.44Å; S344-E347 PolarHBondContact OG-N 3.05Å; S344-E347 PolarHBondContact OG-OE2 3.48Å; E347-L350 WeakPolarHBondContact O-CB 2.89Å; E347-L350 PolarHBondContact O-N 3.35Å; E347-V351 WeakPolarHBondContact O-CG2 3.33Å; E347-V351 PolarHBondContact O-N 3.15Å |
| 348 | Q | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.4 | -70.6 | -168.3 | -13.6 | 0 | 0 | 111.9 | L343 S344 A345 L350 V351 L352 Q382 V388 | L343-Q348 HydrophobicContact CB-CG 3.7Å; L343-Q348 HydrophobicContact CD1-CG 4.21Å; S344-Q348 WeakPolarHBondContact O-CG 3.39Å; S344-Q348 PolarHBondContact O-N 3.14Å; A345-Q348 PolarHBondContact O-N 2.82Å; Q348-L350 VanDerWaalsContact C-N 3.3Å; Q348-L350 PolarHBondContact O-N 3.01Å; Q348-V351 PolarHBondContact O-N 2.81Å; Q348-L352 PolarHBondContact O-N 3.02Å; Q348-L352 VanDerWaalsContact O-N 3.09Å; Q348-Q382 PolarHBondContact NE2-O 3.25Å; Q348-V388 HydrophobicContact CB-CG1 3.95Å; Q348-V388 HydrophobicContact CB-CG2 4.3Å |
| 349 | A | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -35 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L235 A345 E346 L352 G353 C437 | L235-A349 HydrophobicContact CD1-CB 3.86Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.21Å; E346-A349 PolarHBondContact O-N 3.32Å; A349-L352 WeakPolarHBondContact O-CB 3.23Å; A349-L352 PolarHBondContact O-N 3.27Å; A349-G353 PolarHBondContact O-N 2.87Å; A349-C437 HydrophobicContact CB-CB 4.02Å |
| 350 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 174 | 175 | 63.6 | 0 | 0 | 0 | 111.7 | L235 A257 K258 S261 L263 I265 E346 E347 Q348 L352 G353 V354 | L235-L350 HydrophobicContact CD1-CB 4.37Å; L235-L350 HydrophobicContact CD2-CB 4.5Å; L235-L350 HydrophobicContact CD2-CD1 3.88Å; A257-L350 HydrophobicContact CB-CD1 3.78Å; K258-L350 HydrophobicContact CG-CD1 4.14Å; K258-L350 HydrophobicContact CG-CD2 4.17Å; S261-L350 WeakPolarHBondContact OG-CD2 3.32Å; L263-L350 HydrophobicContact CB-CD2 4.47Å; I265-L350 HydrophobicContact CD1-CG 4.31Å; E346-L350 VanDerWaalsContact O-CB 3.28Å; E346-L350 WeakPolarHBondContact O-CB 3.32Å; E346-L350 PolarHBondContact O-N 3.05Å; E347-L350 WeakPolarHBondContact O-CB 2.89Å; E347-L350 PolarHBondContact O-N 3.35Å; Q348-L350 VanDerWaalsContact C-N 3.3Å; Q348-L350 PolarHBondContact O-N 3.01Å; L350-L352 VanDerWaalsContact C-N 3.27Å; L350-L352 PolarHBondContact O-N 3.41Å; L350-G353 PolarHBondContact O-N 3.24Å; L350-G353 VanDerWaalsContact O-N 3.08Å; L350-V354 HydrophobicContact CD1-CG2 4.15Å; L350-V354 HydrophobicContact CG-CG2 4.47Å; L350-V354 WeakPolarHBondContact O-CG2 3.36Å; L350-V354 PolarHBondContact O-N 3.26Å |
| 351 | V | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L263 I265 L287 E347 Q348 C355 F375 I379 | L263-V351 HydrophobicContact CD2-CG2 4.2Å; I265-V351 HydrophobicContact CD1-CG2 3.89Å; I265-V351 HydrophobicContact CG1-CG2 4.4Å; L287-V351 HydrophobicContact CD2-CG1 3.79Å; E347-V351 WeakPolarHBondContact O-CG2 3.33Å; E347-V351 PolarHBondContact O-N 3.15Å; Q348-V351 PolarHBondContact O-N 2.81Å; V351-C355 VanDerWaalsContact O-CB 3.29Å; V351-C355 WeakPolarHBondContact O-CB 3.48Å; V351-C355 PolarHBondContact O-N 3.06Å; V351-F375 HydrophobicContact CG1-CD1 3.94Å; V351-I379 HydrophobicContact CB-CD1 4.4Å; V351-I379 HydrophobicContact CB-CG1 4.31Å; V351-I379 HydrophobicContact CG1-CD1 3.88Å; V351-I379 HydrophobicContact CG1-CG1 3.84Å |
| 352 | L | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 171.9 | -79.1 | 176 | 0 | 0 | 0 | 113 | Q348 A349 L350 C355 T356 I379 V388 T391 A392 C438 | Q348-L352 PolarHBondContact O-N 3.02Å; Q348-L352 VanDerWaalsContact O-N 3.09Å; A349-L352 WeakPolarHBondContact O-CB 3.23Å; A349-L352 PolarHBondContact O-N 3.27Å; L350-L352 VanDerWaalsContact C-N 3.27Å; L350-L352 PolarHBondContact O-N 3.41Å; L352-C355 WeakPolarHBondContact O-CB 3.42Å; L352-C355 PolarHBondContact O-N 3.37Å; L352-T356 WeakPolarHBondContact O-CB 3.32Å; L352-T356 PolarHBondContact O-N 3.35Å; L352-T356 PolarHBondContact O-OG1 3.36Å; L352-I379 HydrophobicContact CD2-CD1 3.4Å; L352-I379 VanDerWaalsContact CD2-CD1 3.4Å; L352-I379 HydrophobicContact CG-CD1 3.56Å; L352-V388 HydrophobicContact CD1-CB 4.22Å; L352-V388 HydrophobicContact CD1-CG1 3.8Å; L352-V388 HydrophobicContact CD1-CG2 4.38Å; L352-T391 HydrophobicContact CD1-CG2 4.14Å; L352-T391 HydrophobicContact CD2-CG2 4.03Å; L352-A392 HydrophobicContact CD2-CB 4.43Å; L352-C438 HydrophobicContact CD1-CB 4.3Å |
| 353 | G | 96.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y239 A349 L350 C355 T356 D357 | Y239-G353 VanDerWaalsContact OH-CA 3.28Å; Y239-G353 WeakPolarHBondContact OH-CA 3.36Å; Y239-G353 PolarHBondContact OH-N 2.82Å; A349-G353 PolarHBondContact O-N 2.87Å; L350-G353 PolarHBondContact O-N 3.24Å; L350-G353 VanDerWaalsContact O-N 3.08Å; G353-C355 VanDerWaalsContact C-N 3.35Å; G353-C355 PolarHBondContact O-N 3.05Å; G353-T356 PolarHBondContact O-N 3.29Å; G353-D357 WeakPolarHBondContact O-CB 3.22Å; G353-D357 PolarHBondContact O-N 3.32Å |
| 354 | V | 96.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.7 | 177 | 0 | 0 | 0 | 0 | 111.3 | I254 I265 L350 T356 D357 F358 F375 | I254-V354 HydrophobicContact CG2-CG2 3.76Å; I265-V354 HydrophobicContact CD1-CG2 4.01Å; L350-V354 HydrophobicContact CD1-CG2 4.15Å; L350-V354 HydrophobicContact CG-CG2 4.47Å; L350-V354 WeakPolarHBondContact O-CG2 3.36Å; L350-V354 PolarHBondContact O-N 3.26Å; V354-T356 VanDerWaalsContact C-N 3.32Å; V354-T356 PolarHBondContact O-N 3.37Å; V354-D357 PolarHBondContact O-N 3.48Å; V354-F358 VanDerWaalsContact O-CB 3.3Å; V354-F358 WeakPolarHBondContact O-CB 3.44Å; V354-F358 PolarHBondContact O-N 2.99Å; V354-F375 HydrophobicContact CB-CE1 4.36Å; V354-F375 HydrophobicContact CG1-CE1 3.85Å; V354-F375 HydrophobicContact CG1-CZ 4.15Å |
| 355 | C | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | V351 L352 G353 Q359 L372 F375 L395 | V351-C355 VanDerWaalsContact O-CB 3.29Å; V351-C355 WeakPolarHBondContact O-CB 3.48Å; V351-C355 PolarHBondContact O-N 3.06Å; L352-C355 WeakPolarHBondContact O-CB 3.42Å; L352-C355 PolarHBondContact O-N 3.37Å; G353-C355 VanDerWaalsContact C-N 3.35Å; G353-C355 PolarHBondContact O-N 3.05Å; C355-Q359 WeakPolarHBondContact O-CB 3.28Å; C355-Q359 PolarHBondContact O-N 3.04Å; C355-L372 WeakPolarHBondContact O-CD2 3.39Å; C355-L372 WeakPolarHBondContact SG-CD2 3.48Å; C355-F375 HydrophobicContact CB-CB 3.8Å; C355-F375 HydrophobicContact CB-CD1 3.75Å; C355-F375 HydrophobicContact CB-CD2 4.34Å; C355-F375 HydrophobicContact CB-CE1 4.42Å; C355-F375 HydrophobicContact CB-CG 3.72Å; C355-F375 VanDerWaalsContact SG-CB 3.51Å; C355-L395 VanDerWaalsContact SG-CD2 3.56Å |
| 356 | T | 94.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -43.8 | -179.5 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | Y239 L242 L352 G353 V354 F358 Q359 K360 | Y239-T356 HydrophobicContact CD1-CG2 4.44Å; Y239-T356 HydrophobicContact CE1-CG2 4.11Å; L242-T356 HydrophobicContact CD1-CG2 4.12Å; L352-T356 WeakPolarHBondContact O-CB 3.32Å; L352-T356 PolarHBondContact O-N 3.35Å; L352-T356 PolarHBondContact O-OG1 3.36Å; G353-T356 PolarHBondContact O-N 3.29Å; V354-T356 VanDerWaalsContact C-N 3.32Å; V354-T356 PolarHBondContact O-N 3.37Å; T356-F358 VanDerWaalsContact C-N 3.35Å; T356-Q359 WeakPolarHBondContact O-CB 3.35Å; T356-Q359 PolarHBondContact O-N 3.43Å; T356-K360 HydrophobicContact CG2-CG 4.46Å; T356-K360 VanDerWaalsContact O-CG 3.24Å; T356-K360 WeakPolarHBondContact O-CG 3.43Å; T356-K360 PolarHBondContact O-N 2.98Å |
| 357 | D | 93.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 173.4 | 179.8 | 74.5 | 0 | 0 | 0 | 111.6 | L242 I254 G353 V354 Q359 K360 N361 | L242-D357 HydrophobicContact CD1-CB 4.29Å; I254-D357 HydrophobicContact CD1-CB 3.3Å; G353-D357 WeakPolarHBondContact O-CB 3.22Å; G353-D357 PolarHBondContact O-N 3.32Å; V354-D357 PolarHBondContact O-N 3.48Å; D357-Q359 VanDerWaalsContact C-N 3.33Å; D357-Q359 PolarHBondContact O-N 3.22Å; D357-K360 PolarHBondContact O-N 2.97Å; D357-K360 VanDerWaalsContact O-N 3.15Å; D357-N361 WeakPolarHBondContact O-CB 3.37Å; D357-N361 PolarHBondContact O-N 2.68Å; D357-N361 PolarHBondContact O-ND2 3.09Å; D357-N361 VanDerWaalsContact O-ND2 3.16Å; D357-N361 PolarHBondContact OD1-ND2 3.45Å; D357-N361 PolarHBondContact OD2-ND2 3.45Å |
| 358 | F | 91.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 174.5 | -171.8 | -97.4 | 0 | 0 | 0 | 111.7 | V354 T356 K360 N362 T368 E371 L372 | V354-F358 VanDerWaalsContact O-CB 3.3Å; V354-F358 WeakPolarHBondContact O-CB 3.44Å; V354-F358 PolarHBondContact O-N 2.99Å; T356-F358 VanDerWaalsContact C-N 3.35Å; F358-K360 VanDerWaalsContact C-N 3.29Å; F358-K360 PolarHBondContact O-N 3.38Å; F358-N362 VanDerWaalsContact CD2-ND2 3.29Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.34Å; F358-N362 VanDerWaalsContact CE2-ND2 3.33Å; F358-N362 WeakPolarHBondContact CE2-ND2 3.29Å; F358-N362 VanDerWaalsContact O-CB 3.32Å; F358-N362 WeakPolarHBondContact O-CB 3.45Å; F358-N362 PolarHBondContact O-N 3.48Å; F358-N362 PolarHBondContact O-ND2 2.82Å; F358-T368 HydrophobicContact CD1-CG2 4.34Å; F358-T368 HydrophobicContact CE1-CG2 3.78Å; F358-E371 HydrophobicContact CE1-CB 3.82Å; F358-E371 WeakPolarHBondContact CE1-OE2 3.49Å; F358-E371 HydrophobicContact CZ-CB 4.28Å; F358-E371 WeakPolarHBondContact CZ-OE2 3.39Å; F358-L372 HydrophobicContact CD1-CD2 3.88Å; F358-L372 HydrophobicContact CD1-CG 4.32Å |
| 359 | Q | 89.9 | Confident | 89.2 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.8 | -176.9 | 178.6 | 40.7 | 0 | 0 | 112.6 | C355 T356 D357 L372 | C355-Q359 WeakPolarHBondContact O-CB 3.28Å; C355-Q359 PolarHBondContact O-N 3.04Å; T356-Q359 WeakPolarHBondContact O-CB 3.35Å; T356-Q359 PolarHBondContact O-N 3.43Å; D357-Q359 VanDerWaalsContact C-N 3.33Å; D357-Q359 PolarHBondContact O-N 3.22Å; Q359-L372 HydrophobicContact CB-CD1 4.02Å; Q359-L372 HydrophobicContact CB-CD2 3.82Å; Q359-L372 HydrophobicContact CG-CD1 3.91Å |
| 360 | K | 87.1 | Confident | 88.9 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -81.7 | -32.7 | -175.4 | -68.5 | -67.3 | -179.3 | -179.3 | 0 | 113.1 | L242 Y247 T356 D357 F358 | L242-K360 HydrophobicContact CD2-CB 4.18Å; L242-K360 HydrophobicContact CD2-CG 4.46Å; Y247-K360 HydrophobicContact CE1-CB 4.05Å; T356-K360 HydrophobicContact CG2-CG 4.46Å; T356-K360 VanDerWaalsContact O-CG 3.24Å; T356-K360 WeakPolarHBondContact O-CG 3.43Å; T356-K360 PolarHBondContact O-N 2.98Å; D357-K360 PolarHBondContact O-N 2.97Å; D357-K360 VanDerWaalsContact O-N 3.15Å; F358-K360 VanDerWaalsContact C-N 3.29Å; F358-K360 PolarHBondContact O-N 3.38Å |
| 361 | N | 84.6 | Confident | 88.7 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -88.7 | -3.6 | -179.9 | -66.3 | -36.4 | 0 | 0 | 0 | 113.7 | Y247 D357 | Y247-N361 WeakPolarHBondContact CD1-OD1 3.2Å; D357-N361 WeakPolarHBondContact O-CB 3.37Å; D357-N361 PolarHBondContact O-N 2.68Å; D357-N361 PolarHBondContact O-ND2 3.09Å; D357-N361 VanDerWaalsContact O-ND2 3.16Å; D357-N361 PolarHBondContact OD1-ND2 3.45Å; D357-N361 PolarHBondContact OD2-ND2 3.45Å |
| 362 | N | 82.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 54 Ų | 54 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -119.9 | 145.5 | -179.4 | -71.3 | -88.5 | 0 | 0 | 0 | 111.8 | F358 T368 | F358-N362 VanDerWaalsContact CD2-ND2 3.29Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.34Å; F358-N362 VanDerWaalsContact CE2-ND2 3.33Å; F358-N362 WeakPolarHBondContact CE2-ND2 3.29Å; F358-N362 VanDerWaalsContact O-CB 3.32Å; F358-N362 WeakPolarHBondContact O-CB 3.45Å; F358-N362 PolarHBondContact O-N 3.48Å; F358-N362 PolarHBondContact O-ND2 2.82Å; N362-T368 HydrophobicContact CB-CG2 3.72Å |
| 363 | P | 74.1 | Confident | 88.4 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | trans | -65.3 | 151.5 | 178.3 | 28.2 | -35.1 | 0 | 0 | 0 | 111.3 | H365 T368 | P363-H365 PolarHBondContact O-N 3.15Å; P363-T368 PolarHBondContact O-OG1 2.95Å | ||
| 364 | V | 75.9 | Confident | 88.3 | Confident | 160 Ų | 160 | 54.9 Ų | 54.9 | 97% | 0.97 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -69.8 | 93.8 | 176 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 365 | H | 80.4 | Confident | 88.2 | Confident | 118 Ų | 118 | 54.6 Ų | 54.6 | 55% | 0.546 | 28% | 0.283 | S | S | . | . | trans | -130.5 | 158.7 | 179.8 | -173 | -105.4 | 0 | 0 | 0 | 111.5 | P363 L367 T368 A369 | P363-H365 PolarHBondContact O-N 3.15Å; H365-L367 VanDerWaalsContact C-N 3.27Å; H365-L367 WeakPolarHBondContact ND1-CB 3.37Å; H365-L367 PolarHBondContact ND1-N 3.5Å; H365-L367 PolarHBondContact O-N 3.46Å; H365-T368 PolarHBondContact O-N 2.94Å; H365-A369 PolarHBondContact O-N 2.98Å | ||
| 366 | K | 83.1 | Confident | 88.1 | Confident | 180 Ų | 180 | 54.7 Ų | 54.7 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -36.1 | -179.9 | -71.1 | -177.3 | 178.6 | 178 | 0 | 112.8 | A369 E370 | K366-A369 PolarHBondContact O-N 3.41Å; K366-E370 PolarHBondContact O-N 2.9Å |
| 367 | L | 85.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -50.3 | 176.8 | -177.4 | 63.3 | 0 | 0 | 0 | 111.1 | L285 H365 A369 E370 E371 | L285-L367 HydrophobicContact CD1-CD1 4.13Å; H365-L367 VanDerWaalsContact C-N 3.27Å; H365-L367 WeakPolarHBondContact ND1-CB 3.37Å; H365-L367 PolarHBondContact ND1-N 3.5Å; H365-L367 PolarHBondContact O-N 3.46Å; L367-A369 PolarHBondContact O-N 2.97Å; L367-E370 WeakPolarHBondContact O-CA 3.46Å; L367-E370 WeakPolarHBondContact O-CB 3.38Å; L367-E370 PolarHBondContact O-N 3.24Å; L367-E371 PolarHBondContact O-N 3.34Å |
| 368 | T | 87.1 | Confident | 88 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -38.7 | 175.9 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | F358 N362 P363 H365 E370 E371 L372 | F358-T368 HydrophobicContact CD1-CG2 4.34Å; F358-T368 HydrophobicContact CE1-CG2 3.78Å; N362-T368 HydrophobicContact CB-CG2 3.72Å; P363-T368 PolarHBondContact O-OG1 2.95Å; H365-T368 PolarHBondContact O-N 2.94Å; T368-E370 PolarHBondContact O-N 3.49Å; T368-E371 WeakPolarHBondContact CA-OE2 3.16Å; T368-E371 PolarHBondContact O-N 3.04Å; T368-L372 HydrophobicContact CG2-CD1 4.3Å; T368-L372 WeakPolarHBondContact O-CB 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.47Å; T368-L372 PolarHBondContact O-N 3.33Å |
| 369 | A | 89.4 | Confident | 88.1 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H365 K366 L367 L373 L399 | H365-A369 PolarHBondContact O-N 2.98Å; K366-A369 PolarHBondContact O-N 3.41Å; L367-A369 PolarHBondContact O-N 2.97Å; A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.13Å; A369-L373 PolarHBondContact O-N 3.47Å; A369-L373 VanDerWaalsContact O-N 3.07Å; A369-L399 HydrophobicContact CB-CD2 4.27Å |
| 370 | E | 89.6 | Confident | 88.3 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 173.8 | -70.7 | -66.2 | 144.7 | 0 | 0 | 112.2 | R274 L285 K366 L367 T368 L373 A374 R403 | R274-E370 IonicContact CZ-OE2 3.1Å; R274-E370 VanDerWaalsContact CZ-OE2 3.24Å; R274-E370 IonicContact NH1-OE2 3.91Å; R274-E370 PolarHBondContact NH1-OE2 3.42Å; R274-E370 IonicContact NH2-OE1 2.8Å; R274-E370 IonicContact NH2-OE2 2.79Å; R274-E370 PolarHBondContact NH2-OE2 2.96Å; L285-E370 HydrophobicContact CD1-CB 4.27Å; K366-E370 PolarHBondContact O-N 2.9Å; L367-E370 WeakPolarHBondContact O-CA 3.46Å; L367-E370 WeakPolarHBondContact O-CB 3.38Å; L367-E370 PolarHBondContact O-N 3.24Å; T368-E370 PolarHBondContact O-N 3.49Å; E370-L373 PolarHBondContact O-N 3.3Å; E370-A374 PolarHBondContact O-N 2.68Å; E370-R403 IonicContact OE1-CZ 3.68Å; E370-R403 IonicContact OE1-NH1 2.65Å; E370-R403 PolarHBondContact OE1-NH1 2.82Å; E370-R403 IonicContact OE1-NH2 3.85Å; E370-R403 PolarHBondContact OE1-NH2 3.07Å |
| 371 | E | 92.4 | Very high | 88.5 | Confident | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 174.8 | -67.2 | 169.5 | 136.1 | 0 | 0 | 110.8 | M267 L285 F358 L367 T368 L373 A374 F375 | M267-E371 HydrophobicContact CE-CB 4.29Å; M267-E371 HydrophobicContact CE-CG 4.21Å; L285-E371 HydrophobicContact CD1-CG 3.84Å; F358-E371 HydrophobicContact CE1-CB 3.82Å; F358-E371 WeakPolarHBondContact CE1-OE2 3.49Å; F358-E371 HydrophobicContact CZ-CB 4.28Å; F358-E371 WeakPolarHBondContact CZ-OE2 3.39Å; L367-E371 PolarHBondContact O-N 3.34Å; T368-E371 WeakPolarHBondContact CA-OE2 3.16Å; T368-E371 PolarHBondContact O-N 3.04Å; E371-L373 VanDerWaalsContact C-N 3.27Å; E371-L373 PolarHBondContact O-N 3.26Å; E371-A374 VanDerWaalsContact O-CB 3.29Å; E371-A374 WeakPolarHBondContact O-CB 3.28Å; E371-A374 PolarHBondContact O-N 3.32Å; E371-F375 VanDerWaalsContact O-CD2 3.27Å; E371-F375 WeakPolarHBondContact O-CD2 3.29Å; E371-F375 PolarHBondContact O-N 3.46Å |
| 372 | L | 93.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -34.7 | 175.4 | -67.5 | 171.5 | 0 | 0 | 0 | 112.5 | C355 F358 Q359 T368 A374 F375 T376 L399 | C355-L372 WeakPolarHBondContact O-CD2 3.39Å; C355-L372 WeakPolarHBondContact SG-CD2 3.48Å; F358-L372 HydrophobicContact CD1-CD2 3.88Å; F358-L372 HydrophobicContact CD1-CG 4.32Å; Q359-L372 HydrophobicContact CB-CD1 4.02Å; Q359-L372 HydrophobicContact CB-CD2 3.82Å; Q359-L372 HydrophobicContact CG-CD1 3.91Å; T368-L372 HydrophobicContact CG2-CD1 4.3Å; T368-L372 WeakPolarHBondContact O-CB 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.47Å; T368-L372 PolarHBondContact O-N 3.33Å; L372-A374 VanDerWaalsContact C-N 3.3Å; L372-A374 PolarHBondContact O-N 3.45Å; L372-F375 PolarHBondContact O-N 3.27Å; L372-T376 PolarHBondContact O-N 3.05Å; L372-T376 VanDerWaalsContact O-N 3.16Å; L372-L399 HydrophobicContact CB-CD1 3.63Å; L372-L399 HydrophobicContact CB-CD2 3.98Å; L372-L399 HydrophobicContact CB-CG 4.48Å; L372-L399 HydrophobicContact CD1-CD2 3.88Å |
| 373 | L | 92.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 174.1 | -77.8 | 171.8 | 0 | 0 | 0 | 112.3 | A369 E370 E371 T376 S377 R396 L399 E400 | A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.13Å; A369-L373 PolarHBondContact O-N 3.47Å; A369-L373 VanDerWaalsContact O-N 3.07Å; E370-L373 PolarHBondContact O-N 3.3Å; E371-L373 VanDerWaalsContact C-N 3.27Å; E371-L373 PolarHBondContact O-N 3.26Å; L373-T376 WeakPolarHBondContact CA-OG1 3.24Å; L373-T376 PolarHBondContact O-N 3.07Å; L373-T376 PolarHBondContact O-OG1 2.85Å; L373-S377 WeakPolarHBondContact O-CB 3.33Å; L373-S377 PolarHBondContact O-N 3.3Å; L373-S377 PolarHBondContact O-OG 3.34Å; L373-R396 HydrophobicContact CD2-CG 4.16Å; L373-L399 HydrophobicContact CD2-CB 3.84Å; L373-L399 HydrophobicContact CD2-CD1 3.85Å; L373-L399 HydrophobicContact CG-CB 4.13Å; L373-L399 HydrophobicContact CG-CD1 3.96Å; L373-E400 HydrophobicContact CD2-CG 4.41Å |
| 374 | A | 93.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M267 E370 E371 L372 S377 C378 | M267-A374 HydrophobicContact CE-CB 3.83Å; M267-A374 HydrophobicContact SD-CB 4.35Å; E370-A374 PolarHBondContact O-N 2.68Å; E371-A374 VanDerWaalsContact O-CB 3.29Å; E371-A374 WeakPolarHBondContact O-CB 3.28Å; E371-A374 PolarHBondContact O-N 3.32Å; L372-A374 VanDerWaalsContact C-N 3.3Å; L372-A374 PolarHBondContact O-N 3.45Å; A374-S377 PolarHBondContact O-N 2.91Å; A374-C378 PolarHBondContact O-N 3.28Å |
| 375 | F | 95.3 | Very high | 91 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -50.4 | 172.4 | -73.5 | -88.5 | 0 | 0 | 0 | 111.9 | I265 M267 L287 V351 V354 C355 E371 L372 S377 C378 I379 | I265-F375 HydrophobicContact CG2-CE1 3.99Å; M267-F375 HydrophobicContact SD-CD2 4.44Å; M267-F375 HydrophobicContact SD-CE2 3.87Å; M267-F375 HydrophobicContact SD-CZ 4.35Å; L287-F375 HydrophobicContact CD1-CD1 3.94Å; L287-F375 HydrophobicContact CD1-CD2 4.49Å; L287-F375 HydrophobicContact CD1-CE1 3.58Å; L287-F375 HydrophobicContact CD1-CE2 4.18Å; L287-F375 HydrophobicContact CD1-CG 4.37Å; L287-F375 HydrophobicContact CD1-CZ 3.71Å; L287-F375 HydrophobicContact CD2-CD1 3.61Å; L287-F375 HydrophobicContact CD2-CE1 3.93Å; L287-F375 HydrophobicContact CD2-CG 4.27Å; L287-F375 HydrophobicContact CG-CD1 4.44Å; L287-F375 HydrophobicContact CG-CE1 4.43Å; V351-F375 HydrophobicContact CG1-CD1 3.94Å; V354-F375 HydrophobicContact CB-CE1 4.36Å; V354-F375 HydrophobicContact CG1-CE1 3.85Å; V354-F375 HydrophobicContact CG1-CZ 4.15Å; C355-F375 HydrophobicContact CB-CB 3.8Å; C355-F375 HydrophobicContact CB-CD1 3.75Å; C355-F375 HydrophobicContact CB-CD2 4.34Å; C355-F375 HydrophobicContact CB-CE1 4.42Å; C355-F375 HydrophobicContact CB-CG 3.72Å; C355-F375 VanDerWaalsContact SG-CB 3.51Å; E371-F375 VanDerWaalsContact O-CD2 3.27Å; E371-F375 WeakPolarHBondContact O-CD2 3.29Å; E371-F375 PolarHBondContact O-N 3.46Å; L372-F375 PolarHBondContact O-N 3.27Å; F375-S377 VanDerWaalsContact C-N 3.29Å; F375-S377 PolarHBondContact O-N 3.23Å; F375-C378 WeakPolarHBondContact O-CB 3.49Å; F375-C378 PolarHBondContact O-N 3.26Å; F375-I379 PolarHBondContact O-N 3.04Å |
| 376 | T | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 179.1 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | L372 L373 C378 I379 L380 L395 R396 L399 | L372-T376 PolarHBondContact O-N 3.05Å; L372-T376 VanDerWaalsContact O-N 3.16Å; L373-T376 WeakPolarHBondContact CA-OG1 3.24Å; L373-T376 PolarHBondContact O-N 3.07Å; L373-T376 PolarHBondContact O-OG1 2.85Å; T376-C378 VanDerWaalsContact C-N 3.34Å; T376-C378 PolarHBondContact O-N 2.95Å; T376-I379 PolarHBondContact O-N 3.18Å; T376-L380 WeakPolarHBondContact O-CB 3.43Å; T376-L380 WeakPolarHBondContact O-CG 3.44Å; T376-L380 PolarHBondContact O-N 3.47Å; T376-L395 HydrophobicContact CG2-CB 4.04Å; T376-L395 HydrophobicContact CG2-CD2 3.69Å; T376-L395 HydrophobicContact CG2-CG 3.76Å; T376-R396 HydrophobicContact CG2-CB 4.37Å; T376-L399 HydrophobicContact CG2-CD1 4.39Å |
| 377 | S | 92.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 23.3 Ų | 23.3 | 48% | 0.476 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 178.5 | -58 | 0 | 0 | 0 | 0 | 112.1 | L373 A374 F375 S381 | L373-S377 WeakPolarHBondContact O-CB 3.33Å; L373-S377 PolarHBondContact O-N 3.3Å; L373-S377 PolarHBondContact O-OG 3.34Å; A374-S377 PolarHBondContact O-N 2.91Å; F375-S377 VanDerWaalsContact C-N 3.29Å; F375-S377 PolarHBondContact O-N 3.23Å; S377-S381 WeakPolarHBondContact O-CB 3.43Å; S377-S381 PolarHBondContact O-N 2.91Å |
| 378 | C | 93.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | L287 A374 F375 T376 S381 | L287-C378 HydrophobicContact CB-CB 4.17Å; L287-C378 HydrophobicContact CD2-CB 3.96Å; A374-C378 PolarHBondContact O-N 3.28Å; F375-C378 WeakPolarHBondContact O-CB 3.49Å; F375-C378 PolarHBondContact O-N 3.26Å; T376-C378 VanDerWaalsContact C-N 3.34Å; T376-C378 PolarHBondContact O-N 2.95Å; C378-S381 WeakPolarHBondContact O-CB 3.4Å; C378-S381 PolarHBondContact O-N 2.77Å; C378-S381 PolarHBondContact O-OG 2.9Å |
| 379 | I | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.1 | -51.4 | -177.3 | -65 | 157.2 | 0 | 0 | 0 | 110.8 | V351 L352 F375 T376 S381 Q382 V388 A392 | V351-I379 HydrophobicContact CB-CD1 4.4Å; V351-I379 HydrophobicContact CB-CG1 4.31Å; V351-I379 HydrophobicContact CG1-CD1 3.88Å; V351-I379 HydrophobicContact CG1-CG1 3.84Å; L352-I379 HydrophobicContact CD2-CD1 3.4Å; L352-I379 VanDerWaalsContact CD2-CD1 3.4Å; L352-I379 HydrophobicContact CG-CD1 3.56Å; F375-I379 PolarHBondContact O-N 3.04Å; T376-I379 PolarHBondContact O-N 3.18Å; I379-S381 PolarHBondContact O-N 2.59Å; I379-Q382 CarbonylContact O-C 3.47Å; I379-Q382 PolarHBondContact O-N 2.93Å; I379-V388 HydrophobicContact CG2-CG1 3.4Å; I379-V388 VanDerWaalsContact CG2-CG1 3.4Å; I379-A392 HydrophobicContact CB-CB 4.33Å; I379-A392 HydrophobicContact CG2-CB 3.87Å |
| 380 | L | 93.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.5 | -9.1 | -177.9 | -61.3 | 173.9 | 0 | 0 | 0 | 113.6 | T376 Q382 E389 A392 L393 | T376-L380 WeakPolarHBondContact O-CB 3.43Å; T376-L380 WeakPolarHBondContact O-CG 3.44Å; T376-L380 PolarHBondContact O-N 3.47Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-E389 VanDerWaalsContact CD2-OE2 3.22Å; L380-E389 WeakPolarHBondContact CD2-OE2 3.41Å; L380-A392 HydrophobicContact CD2-CB 3.75Å; L380-A392 HydrophobicContact CG-CB 4.07Å; L380-L393 HydrophobicContact CD1-CD2 3.94Å; L380-L393 HydrophobicContact CD2-CD2 3.63Å; L380-L393 HydrophobicContact CD2-CG 3.78Å; L380-L393 HydrophobicContact CG-CD2 4.46Å |
| 381 | S | 91.2 | Very high | 93.6 | Very high | 47 Ų | 47 | 15.9 Ų | 15.9 | 33% | 0.329 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.2 | 171.4 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | L340 S377 C378 I379 | L340-S381 WeakPolarHBondContact CD1-OG 3.49Å; S377-S381 WeakPolarHBondContact O-CB 3.43Å; S377-S381 PolarHBondContact O-N 2.91Å; C378-S381 WeakPolarHBondContact O-CB 3.4Å; C378-S381 PolarHBondContact O-N 2.77Å; C378-S381 PolarHBondContact O-OG 2.9Å; I379-S381 PolarHBondContact O-N 2.59Å |
| 382 | Q | 91.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 14.1 Ų | 14.1 | 13% | 0.126 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -128.4 | 72.1 | -179.2 | -63.1 | -178 | 28.3 | 0 | 0 | 110.9 | P341 Q348 I379 L380 K384 | P341-Q382 PolarHBondContact O-NE2 3.07Å; P341-Q382 PolarHBondContact O-OE1 2.97Å; Q348-Q382 PolarHBondContact NE2-O 3.25Å; I379-Q382 CarbonylContact O-C 3.47Å; I379-Q382 PolarHBondContact O-N 2.93Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; Q382-K384 PolarHBondContact O-N 3.02Å |
| 383 | P | 91.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 13.8 Ų | 13.8 | 34% | 0.338 | 9% | 0.085 | S | C | . | . | trans | -69.4 | 106.6 | -176.8 | 29.2 | -35.3 | 0 | 0 | 0 | 111.5 | L315 E389 | L315-P383 HydrophobicContact CD1-CB 3.93Å; L315-P383 WeakPolarHBondContact CD1-O 3.45Å; P383-E389 WeakPolarHBondContact CA-OE1 3.38Å; P383-E389 HydrophobicContact CB-CG 4.32Å | ||
| 384 | K | 92.5 | Very high | 94.1 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 12% | 0.122 | 8% | 0.083 | C | C | . | . | trans | -127.7 | -40.7 | -173.8 | -71.2 | -175.9 | -176.7 | -175.6 | 0 | 114.9 | P309 T310 D342 L343 Q382 | P309-K384 HydrophobicContact CB-CB 4.23Å; P309-K384 HydrophobicContact CB-CG 4.39Å; P309-K384 HydrophobicContact CG-CD 4.44Å; T310-K384 WeakPolarHBondContact CB-O 3.36Å; T310-K384 PolarHBondContact N-O 3.16Å; D342-K384 VanDerWaalsContact OD1-CE 3.29Å; D342-K384 WeakPolarHBondContact OD1-CE 3.18Å; D342-K384 IonicContact OD1-NZ 3.85Å; D342-K384 PolarHBondContact OD1-NZ 3.31Å; D342-K384 IonicContact OD2-NZ 2.83Å; D342-K384 PolarHBondContact OD2-NZ 3.2Å; L343-K384 PolarHBondContact O-NZ 3.19Å; Q382-K384 PolarHBondContact O-N 3.02Å | ||
| 385 | F | 94.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.013 | 8% | 0.083 | C | C | . | . | trans | -126 | 129 | -171.5 | -56.7 | -77.3 | 0 | 0 | 0 | 111.1 | P307 T308 A345 S387 V388 E389 K433 V434 | P307-F385 HydrophobicContact CG-CE1 4.14Å; P307-F385 WeakPolarHBondContact O-CE1 3.47Å; T308-F385 WeakPolarHBondContact O-CE1 3.48Å; A345-F385 HydrophobicContact CB-CD1 4.14Å; A345-F385 HydrophobicContact CB-CD2 3.91Å; A345-F385 HydrophobicContact CB-CE1 3.74Å; A345-F385 HydrophobicContact CB-CE2 3.52Å; A345-F385 HydrophobicContact CB-CG 4.22Å; A345-F385 HydrophobicContact CB-CZ 3.42Å; A345-F385 VanDerWaalsContact CB-CZ 3.42Å; F385-S387 PolarHBondContact O-N 2.95Å; F385-V388 HydrophobicContact CB-CB 4.21Å; F385-V388 HydrophobicContact CB-CG2 3.99Å; F385-V388 PolarHBondContact O-N 3.4Å; F385-E389 WeakPolarHBondContact O-CG 3.19Å; F385-E389 PolarHBondContact O-N 3.2Å; F385-K433 HydrophobicContact CD1-CB 4.47Å; F385-K433 HydrophobicContact CD1-CD 4.41Å; F385-V434 HydrophobicContact CB-CG2 4.5Å | ||
| 386 | W | 94.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56 | -46.5 | -173.2 | -177.4 | 92.7 | 0 | 0 | 0 | 113.4 | T113 L315 V388 E389 V390 H420 F421 R431 V440 | T113-W386 HydrophobicContact CG2-CH2 4.24Å; T113-W386 HydrophobicContact CG2-CZ3 3.76Å; L315-W386 HydrophobicContact CD2-CB 4.18Å; W386-V388 PolarHBondContact O-N 2.74Å; W386-E389 PolarHBondContact O-N 3.23Å; W386-V390 HydrophobicContact CD2-CG2 3.99Å; W386-V390 HydrophobicContact CE3-CG2 4.3Å; W386-V390 HydrophobicContact CH2-CG2 3.96Å; W386-V390 HydrophobicContact CZ2-CG2 3.65Å; W386-V390 HydrophobicContact CZ3-CG2 4.27Å; W386-V390 WeakPolarHBondContact O-CG2 3.36Å; W386-V390 PolarHBondContact O-N 2.91Å; W386-H420 AromaticContact CD1-CD2 3.97Å; W386-H420 AromaticContact CD1-NE2 3.74Å; W386-H420 AromaticContact NE1-CD2 3.07Å; W386-H420 PolarHBondContact NE1-CD2 3.16Å; W386-H420 AromaticContact NE1-NE2 3.31Å; W386-H420 PolarHBondContact NE1-NE2 3.18Å; W386-F421 HydrophobicContact CH2-CD1 4.22Å; W386-F421 AromaticContact CH2-CE1 3.79Å; W386-F421 HydrophobicContact CH2-CE1 3.79Å; W386-F421 HydrophobicContact CZ2-CD1 4.21Å; W386-F421 HydrophobicContact CZ2-CE1 4.04Å; W386-R431 HydrophobicContact CD2-CB 3.97Å; W386-R431 HydrophobicContact CD2-CG 3.95Å; W386-R431 HydrophobicContact CE3-CB 3.83Å; W386-R431 HydrophobicContact CE3-CG 4.32Å; W386-R431 HydrophobicContact CG-CB 4.4Å; W386-R431 HydrophobicContact CG-CG 4.13Å; W386-R431 HydrophobicContact CZ3-CB 4.3Å; W386-V440 HydrophobicContact CZ3-CG1 4.36Å |
| 387 | S | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | -178.7 | -79.4 | 0 | 0 | 0 | 0 | 112.5 | F385 T391 R431 F435 | F385-S387 PolarHBondContact O-N 2.95Å; S387-T391 PolarHBondContact O-N 3.48Å; S387-T391 PolarHBondContact O-OG1 3.05Å; S387-R431 PolarHBondContact OG-O 3.36Å; S387-F435 WeakPolarHBondContact OG-CA 3.38Å |
| 388 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | Q348 L352 I379 F385 W386 T391 A392 V434 C438 | Q348-V388 HydrophobicContact CB-CG1 3.95Å; Q348-V388 HydrophobicContact CB-CG2 4.3Å; L352-V388 HydrophobicContact CD1-CB 4.22Å; L352-V388 HydrophobicContact CD1-CG1 3.8Å; L352-V388 HydrophobicContact CD1-CG2 4.38Å; I379-V388 HydrophobicContact CG2-CG1 3.4Å; I379-V388 VanDerWaalsContact CG2-CG1 3.4Å; F385-V388 HydrophobicContact CB-CB 4.21Å; F385-V388 HydrophobicContact CB-CG2 3.99Å; F385-V388 PolarHBondContact O-N 3.4Å; W386-V388 PolarHBondContact O-N 2.74Å; V388-T391 PolarHBondContact O-N 3.26Å; V388-A392 WeakPolarHBondContact O-CB 3.33Å; V388-A392 PolarHBondContact O-N 3.41Å; V388-V434 HydrophobicContact CG2-CG2 3.97Å; V388-C438 VanDerWaalsContact CG2-SG 3.57Å |
| 389 | E | 94.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 2% | 0.023 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | -179 | -71.6 | -57.4 | 121.7 | 0 | 0 | 111.9 | L315 P316 L380 P383 F385 W386 T391 A392 L393 | L315-E389 HydrophobicContact CD2-CG 4.22Å; P316-E389 HydrophobicContact CG-CB 4.15Å; L380-E389 VanDerWaalsContact CD2-OE2 3.22Å; L380-E389 WeakPolarHBondContact CD2-OE2 3.41Å; P383-E389 WeakPolarHBondContact CA-OE1 3.38Å; P383-E389 HydrophobicContact CB-CG 4.32Å; F385-E389 WeakPolarHBondContact O-CG 3.19Å; F385-E389 PolarHBondContact O-N 3.2Å; W386-E389 PolarHBondContact O-N 3.23Å; E389-T391 VanDerWaalsContact C-N 3.32Å; E389-T391 PolarHBondContact O-N 3.01Å; E389-A392 PolarHBondContact O-N 3.49Å; E389-L393 WeakPolarHBondContact O-CB 3.43Å; E389-L393 WeakPolarHBondContact O-CG 3.28Å; E389-L393 PolarHBondContact O-N 3.25Å |
| 390 | V | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | P316 W386 C394 I417 F421 V440 | P316-V390 HydrophobicContact CG-CG2 4.01Å; W386-V390 HydrophobicContact CD2-CG2 3.99Å; W386-V390 HydrophobicContact CE3-CG2 4.3Å; W386-V390 HydrophobicContact CH2-CG2 3.96Å; W386-V390 HydrophobicContact CZ2-CG2 3.65Å; W386-V390 HydrophobicContact CZ3-CG2 4.27Å; W386-V390 WeakPolarHBondContact O-CG2 3.36Å; W386-V390 PolarHBondContact O-N 2.91Å; V390-C394 VanDerWaalsContact O-CB 3.27Å; V390-C394 WeakPolarHBondContact O-CB 3.44Å; V390-C394 PolarHBondContact O-N 3.35Å; V390-C394 PolarHBondContact O-SG 3.3Å; V390-I417 HydrophobicContact CG1-CG2 3.92Å; V390-F421 HydrophobicContact CG1-CZ 4.49Å; V390-V440 HydrophobicContact CG1-CG1 4.02Å |
| 391 | T | 95.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 21 Ų | 21 | 9% | 0.092 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | L352 S387 V388 E389 C394 L395 C438 V440 | L352-T391 HydrophobicContact CD1-CG2 4.14Å; L352-T391 HydrophobicContact CD2-CG2 4.03Å; S387-T391 PolarHBondContact O-N 3.48Å; S387-T391 PolarHBondContact O-OG1 3.05Å; V388-T391 PolarHBondContact O-N 3.26Å; E389-T391 VanDerWaalsContact C-N 3.32Å; E389-T391 PolarHBondContact O-N 3.01Å; T391-C394 PolarHBondContact O-N 2.9Å; T391-L395 WeakPolarHBondContact O-CB 3.5Å; T391-L395 PolarHBondContact O-N 3.05Å; T391-C438 WeakPolarHBondContact CB-O 3.36Å; T391-C438 WeakPolarHBondContact CG2-O 3.26Å; T391-C438 PolarHBondContact OG1-O 3.33Å; T391-V440 WeakPolarHBondContact OG1-CA 3.49Å |
| 392 | A | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L352 I379 L380 V388 E389 L395 R396 | L352-A392 HydrophobicContact CD2-CB 4.43Å; I379-A392 HydrophobicContact CB-CB 4.33Å; I379-A392 HydrophobicContact CG2-CB 3.87Å; L380-A392 HydrophobicContact CD2-CB 3.75Å; L380-A392 HydrophobicContact CG-CB 4.07Å; V388-A392 WeakPolarHBondContact O-CB 3.33Å; V388-A392 PolarHBondContact O-N 3.41Å; E389-A392 PolarHBondContact O-N 3.49Å; A392-L395 PolarHBondContact O-N 3.06Å; A392-R396 WeakPolarHBondContact O-CB 3.34Å; A392-R396 PolarHBondContact O-N 3.31Å |
| 393 | L | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.5 | -67.2 | 170.3 | 0 | 0 | 0 | 111.9 | P316 L380 E389 L395 R396 T397 Q413 I417 | P316-L393 HydrophobicContact CB-CD1 4.18Å; P316-L393 HydrophobicContact CG-CD1 3.77Å; L380-L393 HydrophobicContact CD1-CD2 3.94Å; L380-L393 HydrophobicContact CD2-CD2 3.63Å; L380-L393 HydrophobicContact CD2-CG 3.78Å; L380-L393 HydrophobicContact CG-CD2 4.46Å; E389-L393 WeakPolarHBondContact O-CB 3.43Å; E389-L393 WeakPolarHBondContact O-CG 3.28Å; E389-L393 PolarHBondContact O-N 3.25Å; L393-L395 VanDerWaalsContact C-N 3.33Å; L393-R396 PolarHBondContact O-N 3.38Å; L393-T397 WeakPolarHBondContact O-CB 3.43Å; L393-T397 PolarHBondContact O-N 3.35Å; L393-T397 PolarHBondContact O-OG1 2.78Å; L393-Q413 HydrophobicContact CB-CG 4.28Å; L393-Q413 HydrophobicContact CD2-CG 4.32Å; L393-I417 HydrophobicContact CB-CD1 3.77Å |
| 394 | C | 95.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 173.7 | -75.1 | 0 | 0 | 0 | 0 | 111.7 | V390 T391 K398 P441 | V390-C394 VanDerWaalsContact O-CB 3.27Å; V390-C394 WeakPolarHBondContact O-CB 3.44Å; V390-C394 PolarHBondContact O-N 3.35Å; V390-C394 PolarHBondContact O-SG 3.3Å; T391-C394 PolarHBondContact O-N 2.9Å; C394-K398 WeakPolarHBondContact O-CG 3.45Å; C394-K398 PolarHBondContact O-N 2.86Å; C394-K398 VanDerWaalsContact O-N 3.1Å; C394-P441 HydrophobicContact CB-CG 4.24Å |
| 395 | L | 94.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.4 | -48.2 | 177.4 | -179.2 | 58.6 | 0 | 0 | 0 | 111.3 | C355 T376 T391 A392 L393 T397 K398 L399 | C355-L395 VanDerWaalsContact SG-CD2 3.56Å; T376-L395 HydrophobicContact CG2-CB 4.04Å; T376-L395 HydrophobicContact CG2-CD2 3.69Å; T376-L395 HydrophobicContact CG2-CG 3.76Å; T391-L395 WeakPolarHBondContact O-CB 3.5Å; T391-L395 PolarHBondContact O-N 3.05Å; A392-L395 PolarHBondContact O-N 3.06Å; L393-L395 VanDerWaalsContact C-N 3.33Å; L395-T397 VanDerWaalsContact C-N 3.3Å; L395-T397 PolarHBondContact O-N 2.99Å; L395-K398 WeakPolarHBondContact O-CB 3.33Å; L395-K398 PolarHBondContact O-N 3.5Å; L395-K398 VanDerWaalsContact O-N 3.1Å; L395-L399 HydrophobicContact CD1-CD1 4.35Å; L395-L399 HydrophobicContact CD1-CG 4.41Å; L395-L399 HydrophobicContact CG-CD1 4.13Å; L395-L399 WeakPolarHBondContact O-CG 3.28Å; L395-L399 PolarHBondContact O-N 2.98Å |
| 396 | R | 94.5 | Very high | 91.9 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.6 | -46.1 | 176 | -175 | 177.2 | 67.8 | -179.8 | 4 | 111.4 | D318 L373 T376 A392 L393 K398 L399 E400 | D318-R396 IonicContact OD1-CZ 2.76Å; D318-R396 VanDerWaalsContact OD1-CZ 3.28Å; D318-R396 IonicContact OD1-NH1 3.94Å; D318-R396 PolarHBondContact OD1-NH1 3.23Å; D318-R396 IonicContact OD1-NH2 2.64Å; D318-R396 PolarHBondContact OD1-NH2 2.98Å; D318-R396 IonicContact OD2-NH1 2.77Å; L373-R396 HydrophobicContact CD2-CG 4.16Å; T376-R396 HydrophobicContact CG2-CB 4.37Å; A392-R396 WeakPolarHBondContact O-CB 3.34Å; A392-R396 PolarHBondContact O-N 3.31Å; L393-R396 PolarHBondContact O-N 3.38Å; R396-K398 PolarHBondContact O-N 2.93Å; R396-L399 PolarHBondContact O-N 3.34Å; R396-L399 VanDerWaalsContact O-N 3.15Å; R396-E400 WeakPolarHBondContact CG-OE1 3.19Å; R396-E400 WeakPolarHBondContact O-CB 3.39Å; R396-E400 WeakPolarHBondContact O-CG 3.35Å; R396-E400 PolarHBondContact O-N 3.36Å |
| 397 | T | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.5 | -47.5 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 112 | L393 L395 L399 E400 R401 A410 T414 L449 L453 | L393-T397 WeakPolarHBondContact O-CB 3.43Å; L393-T397 PolarHBondContact O-N 3.35Å; L393-T397 PolarHBondContact O-OG1 2.78Å; L395-T397 VanDerWaalsContact C-N 3.3Å; L395-T397 PolarHBondContact O-N 2.99Å; T397-L399 VanDerWaalsContact C-N 3.3Å; T397-L399 PolarHBondContact O-N 3.19Å; T397-E400 PolarHBondContact O-N 3.29Å; T397-R401 PolarHBondContact O-N 3.45Å; T397-A410 HydrophobicContact CG2-CB 3.84Å; T397-A410 WeakPolarHBondContact CG2-O 3.42Å; T397-T414 WeakPolarHBondContact CG2-OG1 3.12Å; T397-L449 HydrophobicContact CG2-CD2 3.9Å; T397-L449 HydrophobicContact CG2-CG 4.36Å; T397-L453 HydrophobicContact CG2-CD1 3.63Å |
| 398 | K | 92.8 | Very high | 91.4 | Very high | 112 Ų | 112 | 40.6 Ų | 40.6 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 178.4 | -72.5 | 170.4 | -177 | 174.6 | 0 | 112.3 | C394 L395 R396 E400 L449 | C394-K398 WeakPolarHBondContact O-CG 3.45Å; C394-K398 PolarHBondContact O-N 2.86Å; C394-K398 VanDerWaalsContact O-N 3.1Å; L395-K398 WeakPolarHBondContact O-CB 3.33Å; L395-K398 PolarHBondContact O-N 3.5Å; L395-K398 VanDerWaalsContact O-N 3.1Å; R396-K398 PolarHBondContact O-N 2.93Å; K398-E400 VanDerWaalsContact C-N 3.35Å; K398-L449 HydrophobicContact CG-CD1 3.97Å; K398-L449 HydrophobicContact CG-CD2 3.99Å |
| 399 | L | 91.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.9 | -28.5 | 178.6 | -64.2 | 169.4 | 0 | 0 | 0 | 112.7 | A369 L372 L373 T376 L395 R396 T397 | A369-L399 HydrophobicContact CB-CD2 4.27Å; L372-L399 HydrophobicContact CB-CD1 3.63Å; L372-L399 HydrophobicContact CB-CD2 3.98Å; L372-L399 HydrophobicContact CB-CG 4.48Å; L372-L399 HydrophobicContact CD1-CD2 3.88Å; L373-L399 HydrophobicContact CD2-CB 3.84Å; L373-L399 HydrophobicContact CD2-CD1 3.85Å; L373-L399 HydrophobicContact CG-CB 4.13Å; L373-L399 HydrophobicContact CG-CD1 3.96Å; T376-L399 HydrophobicContact CG2-CD1 4.39Å; L395-L399 HydrophobicContact CD1-CD1 4.35Å; L395-L399 HydrophobicContact CD1-CG 4.41Å; L395-L399 HydrophobicContact CG-CD1 4.13Å; L395-L399 WeakPolarHBondContact O-CG 3.28Å; L395-L399 PolarHBondContact O-N 2.98Å; R396-L399 PolarHBondContact O-N 3.34Å; R396-L399 VanDerWaalsContact O-N 3.15Å; T397-L399 VanDerWaalsContact C-N 3.3Å; T397-L399 PolarHBondContact O-N 3.19Å |
| 400 | E | 89.8 | Confident | 91.1 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -90.5 | -19.2 | -177.8 | -75.6 | 175.8 | -166.4 | 0 | 0 | 114.5 | L373 R396 T397 K398 G402 R403 C406 R409 A410 | L373-E400 HydrophobicContact CD2-CG 4.41Å; R396-E400 WeakPolarHBondContact CG-OE1 3.19Å; R396-E400 WeakPolarHBondContact O-CB 3.39Å; R396-E400 WeakPolarHBondContact O-CG 3.35Å; R396-E400 PolarHBondContact O-N 3.36Å; T397-E400 PolarHBondContact O-N 3.29Å; K398-E400 VanDerWaalsContact C-N 3.35Å; E400-G402 PolarHBondContact O-N 2.87Å; E400-R403 WeakPolarHBondContact O-CB 3.49Å; E400-R403 PolarHBondContact O-N 3.16Å; E400-C406 HydrophobicContact CB-CB 3.81Å; E400-C406 HydrophobicContact CG-CB 4.01Å; E400-R409 IonicContact OE1-CZ 2.77Å; E400-R409 IonicContact OE1-NH2 3.95Å; E400-R409 PolarHBondContact OE1-NH2 2.86Å; E400-R409 IonicContact OE2-CZ 3.67Å; E400-R409 VanDerWaalsContact OE2-CZ 3.3Å; E400-R409 IonicContact OE2-NE 2.84Å; E400-R409 PolarHBondContact OE2-NE 3.46Å; E400-R409 IonicContact OE2-NH2 3.9Å; E400-R409 PolarHBondContact OE2-NH2 3.22Å; E400-A410 HydrophobicContact CB-CB 4.41Å |
| 401 | R | 86 | Confident | 91 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -41.8 | 179.6 | 174.9 | 175.9 | 176.2 | 160.9 | 16.4 | 114.5 | T397 R403 S452 L453 D456 | T397-R401 PolarHBondContact O-N 3.45Å; R401-R403 VanDerWaalsContact C-N 3.33Å; R401-R403 PolarHBondContact O-N 3.47Å; R401-S452 VanDerWaalsContact NH1-CB 3.34Å; R401-S452 PolarHBondContact NH1-OG 3.46Å; R401-S452 PolarHBondContact NH2-O 3.11Å; R401-S452 PolarHBondContact NH2-OG 3.24Å; R401-L453 HydrophobicContact CB-CD2 3.92Å; R401-L453 HydrophobicContact CG-CD2 3.75Å; R401-D456 WeakPolarHBondContact CD-OD2 3.38Å; R401-D456 WeakPolarHBondContact CG-OD2 3.45Å; R401-D456 IonicContact CZ-OD1 2.75Å; R401-D456 IonicContact CZ-OD2 3.69Å; R401-D456 IonicContact NE-OD1 3.19Å; R401-D456 IonicContact NE-OD2 2.98Å; R401-D456 PolarHBondContact NE-OD2 3.09Å; R401-D456 IonicContact NH2-OD1 2.77Å; R401-D456 PolarHBondContact NH2-OD1 3.22Å; R401-D456 IonicContact NH2-OD2 2.65Å; R401-D456 PolarHBondContact NH2-OD2 3.01Å |
| 402 | G | 80.6 | Confident | 90.9 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 80% | 0.804 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E400 | E400-G402 PolarHBondContact O-N 2.87Š|
| 403 | R | 86.3 | Confident | 90.9 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | trans | -104 | 116.9 | -176.2 | -57.8 | 178.6 | -166.7 | -142.9 | -8.6 | 109.9 | E370 E400 R401 R405 C406 V407 | E370-R403 IonicContact OE1-CZ 3.68Å; E370-R403 IonicContact OE1-NH1 2.65Å; E370-R403 PolarHBondContact OE1-NH1 2.82Å; E370-R403 IonicContact OE1-NH2 3.85Å; E370-R403 PolarHBondContact OE1-NH2 3.07Å; E400-R403 WeakPolarHBondContact O-CB 3.49Å; E400-R403 PolarHBondContact O-N 3.16Å; R401-R403 VanDerWaalsContact C-N 3.33Å; R401-R403 PolarHBondContact O-N 3.47Å; R403-R405 PolarHBondContact O-N 2.92Å; R403-R405 VanDerWaalsContact O-N 3.13Å; R403-C406 HydrophobicContact CB-CB 4.13Å; R403-C406 PolarHBondContact O-N 2.91Å; R403-V407 PolarHBondContact O-N 2.86Å | ||
| 404 | T | 83.9 | Confident | 90.8 | Very high | 128 Ų | 128 | 46.8 Ų | 46.8 | 79% | 0.785 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.6 | -176.8 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 405 | R | 87 | Confident | 90.8 | Very high | 134 Ų | 134 | 49.8 Ų | 49.8 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -15 | 178.6 | -63.5 | -173.6 | -174.7 | 174.8 | 1.5 | 114.5 | T325 R403 | T325-R405 PolarHBondContact OG1-NH1 3.15Å; R403-R405 PolarHBondContact O-N 2.92Å; R403-R405 VanDerWaalsContact O-N 3.13Å |
| 406 | C | 89.4 | Confident | 90.8 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -12.5 | -176 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | L321 E400 R403 E408 R409 A410 | L321-C406 HydrophobicContact CD1-CB 4.43Å; E400-C406 HydrophobicContact CB-CB 3.81Å; E400-C406 HydrophobicContact CG-CB 4.01Å; R403-C406 HydrophobicContact CB-CB 4.13Å; R403-C406 PolarHBondContact O-N 2.91Å; C406-E408 VanDerWaalsContact C-N 3.3Å; C406-E408 PolarHBondContact O-N 2.87Å; C406-R409 PolarHBondContact O-N 3.31Å; C406-A410 WeakPolarHBondContact O-CB 3.43Å; C406-A410 PolarHBondContact O-N 3.08Å |
| 407 | V | 89 | Confident | 90.8 | Very high | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -33.9 | -174.8 | 70 | 0 | 0 | 0 | 0 | 112.9 | R403 A410 M411 L453 L457 | R403-V407 PolarHBondContact O-N 2.86Å; V407-A410 PolarHBondContact O-N 3.3Å; V407-M411 WeakPolarHBondContact O-CB 3.38Å; V407-M411 PolarHBondContact O-N 2.71Å; V407-L453 HydrophobicContact CG2-CD2 4.22Å; V407-L457 HydrophobicContact CB-CD2 4.48Å; V407-L457 HydrophobicContact CG1-CD2 3.63Å; V407-L457 HydrophobicContact CG2-CD2 4.12Å; V407-L457 HydrophobicContact CG2-CG 4.24Å |
| 408 | E | 89.1 | Confident | 90.7 | Very high | 139 Ų | 139 | 49.5 Ų | 49.5 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.5 | -46.7 | 175.4 | -67 | -175.4 | 172.3 | 0 | 0 | 111.5 | C406 A410 M411 M412 L457 | C406-E408 VanDerWaalsContact C-N 3.3Å; C406-E408 PolarHBondContact O-N 2.87Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 3.36Å; E408-M411 PolarHBondContact O-N 2.91Å; E408-M412 WeakPolarHBondContact O-CG 3.18Å; E408-M412 PolarHBondContact O-N 3.19Å; E408-L457 HydrophobicContact CG-CD2 4.32Å |
| 409 | R | 91.7 | Very high | 90.7 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 172.1 | 178.9 | 177.6 | 71.3 | 174.6 | -6.1 | 110.9 | Y319 L321 D328 E400 C406 M411 M412 Q413 | Y319-R409 VanDerWaalsContact O-CD 3.3Å; Y319-R409 WeakPolarHBondContact O-CD 3.46Å; L321-R409 HydrophobicContact CD1-CB 4.07Å; D328-R409 IonicContact OD1-NH1 3.64Å; D328-R409 PolarHBondContact OD1-NH1 3.09Å; E400-R409 IonicContact OE1-CZ 2.77Å; E400-R409 IonicContact OE1-NH2 3.95Å; E400-R409 PolarHBondContact OE1-NH2 2.86Å; E400-R409 IonicContact OE2-CZ 3.67Å; E400-R409 VanDerWaalsContact OE2-CZ 3.3Å; E400-R409 IonicContact OE2-NE 2.84Å; E400-R409 PolarHBondContact OE2-NE 3.46Å; E400-R409 IonicContact OE2-NH2 3.9Å; E400-R409 PolarHBondContact OE2-NH2 3.22Å; C406-R409 PolarHBondContact O-N 3.31Å; R409-M411 VanDerWaalsContact C-N 3.3Å; R409-M411 PolarHBondContact O-N 2.94Å; R409-M412 PolarHBondContact O-N 2.87Å; R409-Q413 WeakPolarHBondContact O-CB 3.47Å; R409-Q413 PolarHBondContact O-N 3.1Å |
| 410 | A | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | T397 E400 C406 V407 E408 T414 L453 | T397-A410 HydrophobicContact CG2-CB 3.84Å; T397-A410 WeakPolarHBondContact CG2-O 3.42Å; E400-A410 HydrophobicContact CB-CB 4.41Å; C406-A410 WeakPolarHBondContact O-CB 3.43Å; C406-A410 PolarHBondContact O-N 3.08Å; V407-A410 PolarHBondContact O-N 3.3Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 3.36Å; A410-T414 WeakPolarHBondContact O-CB 3.36Å; A410-T414 PolarHBondContact O-N 2.77Å; A410-T414 PolarHBondContact O-OG1 3.38Å; A410-L453 HydrophobicContact CB-CD1 4.42Å; A410-L453 HydrophobicContact CB-CD2 4.18Å |
| 411 | M | 93.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 48 Ų | 48 | 20% | 0.197 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -51.4 | 176 | -176.7 | -80.1 | -65.9 | 0 | 0 | 111.8 | V407 E408 R409 Q413 T414 Q415 L450 L453 L454 L457 | V407-M411 WeakPolarHBondContact O-CB 3.38Å; V407-M411 PolarHBondContact O-N 2.71Å; E408-M411 PolarHBondContact O-N 2.91Å; R409-M411 VanDerWaalsContact C-N 3.3Å; R409-M411 PolarHBondContact O-N 2.94Å; M411-Q413 VanDerWaalsContact C-N 3.3Å; M411-Q413 PolarHBondContact O-N 2.87Å; M411-T414 PolarHBondContact O-N 3.46Å; M411-T414 VanDerWaalsContact O-N 3.14Å; M411-Q415 PolarHBondContact O-N 3.5Å; M411-L450 HydrophobicContact CG-CD1 4.06Å; M411-L450 HydrophobicContact SD-CD1 4.41Å; M411-L453 HydrophobicContact CB-CB 4.43Å; M411-L454 HydrophobicContact CG-CD2 4.43Å; M411-L457 HydrophobicContact CB-CD1 3.92Å; M411-L457 HydrophobicContact CE-CD1 4.39Å; M411-L457 HydrophobicContact CG-CD1 3.84Å |
| 412 | M | 93.2 | Very high | 90.6 | Very high | 81 Ų | 81 | 48.3 Ų | 48.3 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 178.7 | -68.4 | -59.1 | -64.8 | 0 | 0 | 112.1 | Y319 E408 R409 Q415 A416 | Y319-M412 HydrophobicContact CD1-CB 4.29Å; Y319-M412 HydrophobicContact CE1-CE 4.19Å; Y319-M412 HydrophobicContact CG-CB 4.45Å; E408-M412 WeakPolarHBondContact O-CG 3.18Å; E408-M412 PolarHBondContact O-N 3.19Å; R409-M412 PolarHBondContact O-N 2.87Å; M412-Q415 PolarHBondContact O-N 2.74Å; M412-A416 WeakPolarHBondContact O-CB 3.34Å; M412-A416 PolarHBondContact O-N 2.86Å |
| 413 | Q | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 176 | -174.2 | 61.9 | 71.5 | 0 | 0 | 111.5 | K317 L393 R409 M411 A416 I417 | K317-Q413 PolarHBondContact O-NE2 3.17Å; K317-Q413 PolarHBondContact O-OE1 3.37Å; L393-Q413 HydrophobicContact CB-CG 4.28Å; L393-Q413 HydrophobicContact CD2-CG 4.32Å; R409-Q413 WeakPolarHBondContact O-CB 3.47Å; R409-Q413 PolarHBondContact O-N 3.1Å; M411-Q413 VanDerWaalsContact C-N 3.3Å; M411-Q413 PolarHBondContact O-N 2.87Å; Q413-A416 PolarHBondContact O-N 3.39Å; Q413-I417 HydrophobicContact CG-CD1 4.39Å; Q413-I417 WeakPolarHBondContact O-CG1 3.41Å; Q413-I417 PolarHBondContact O-N 3.48Å; Q413-I417 VanDerWaalsContact O-N 3.16Å |
| 414 | T | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 178.8 | -49.6 | 0 | 0 | 0 | 0 | 111 | T397 A410 M411 A416 I417 V418 V446 L449 L450 L453 | T397-T414 WeakPolarHBondContact CG2-OG1 3.12Å; A410-T414 WeakPolarHBondContact O-CB 3.36Å; A410-T414 PolarHBondContact O-N 2.77Å; A410-T414 PolarHBondContact O-OG1 3.38Å; M411-T414 PolarHBondContact O-N 3.46Å; M411-T414 VanDerWaalsContact O-N 3.14Å; T414-A416 VanDerWaalsContact C-N 3.33Å; T414-A416 PolarHBondContact O-N 3.24Å; T414-I417 PolarHBondContact O-N 2.97Å; T414-V418 WeakPolarHBondContact O-CG2 3.45Å; T414-V418 PolarHBondContact O-N 3.44Å; T414-V446 HydrophobicContact CG2-CG1 3.8Å; T414-L449 HydrophobicContact CG2-CB 4.4Å; T414-L449 HydrophobicContact CG2-CD2 4.33Å; T414-L449 HydrophobicContact CG2-CG 4.28Å; T414-L450 HydrophobicContact CG2-CB 3.74Å; T414-L450 HydrophobicContact CG2-CD1 4.46Å; T414-L453 VanDerWaalsContact OG1-CD1 3.29Å; T414-L453 WeakPolarHBondContact OG1-CD1 3.16Å |
| 415 | Q | 94.8 | Very high | 91.1 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.6 | -177.3 | 63.6 | 48.9 | 0 | 0 | 111.2 | M411 M412 I417 V418 D419 L450 | M411-Q415 PolarHBondContact O-N 3.5Å; M412-Q415 PolarHBondContact O-N 2.74Å; Q415-I417 VanDerWaalsContact C-N 3.3Å; Q415-I417 PolarHBondContact O-N 3.25Å; Q415-V418 WeakPolarHBondContact O-CB 3.49Å; Q415-V418 PolarHBondContact O-N 2.95Å; Q415-D419 PolarHBondContact NE2-OD1 2.79Å; Q415-D419 PolarHBondContact NE2-OD2 3.47Å; Q415-D419 VanDerWaalsContact O-CG 3.27Å; Q415-D419 PolarHBondContact O-N 2.98Å; Q415-L450 HydrophobicContact CB-CD1 4.36Å |
| 416 | A | 94.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 43 Ų | 43 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y319 M412 Q413 T414 H420 | Y319-A416 HydrophobicContact CD2-CB 4.13Å; Y319-A416 HydrophobicContact CE2-CB 3.5Å; Y319-A416 VanDerWaalsContact CE2-CB 3.5Å; M412-A416 WeakPolarHBondContact O-CB 3.34Å; M412-A416 PolarHBondContact O-N 2.86Å; Q413-A416 PolarHBondContact O-N 3.39Å; T414-A416 VanDerWaalsContact C-N 3.33Å; T414-A416 PolarHBondContact O-N 3.24Å; A416-H420 WeakPolarHBondContact O-CB 3.47Å; A416-H420 PolarHBondContact O-N 3.24Å |
| 417 | I | 94.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 174.5 | -63.5 | 165.5 | 0 | 0 | 0 | 110.5 | V390 L393 Q413 T414 Q415 D419 H420 F421 V446 | V390-I417 HydrophobicContact CG1-CG2 3.92Å; L393-I417 HydrophobicContact CB-CD1 3.77Å; Q413-I417 HydrophobicContact CG-CD1 4.39Å; Q413-I417 WeakPolarHBondContact O-CG1 3.41Å; Q413-I417 PolarHBondContact O-N 3.48Å; Q413-I417 VanDerWaalsContact O-N 3.16Å; T414-I417 PolarHBondContact O-N 2.97Å; Q415-I417 VanDerWaalsContact C-N 3.3Å; Q415-I417 PolarHBondContact O-N 3.25Å; I417-D419 VanDerWaalsContact C-N 3.33Å; I417-D419 PolarHBondContact O-N 2.82Å; I417-H420 PolarHBondContact O-N 2.98Å; I417-F421 HydrophobicContact CG2-CE2 3.82Å; I417-F421 HydrophobicContact CG2-CZ 3.84Å; I417-F421 VanDerWaalsContact O-CD2 3.29Å; I417-F421 WeakPolarHBondContact O-CD2 3.5Å; I417-F421 PolarHBondContact O-N 3.08Å; I417-V446 HydrophobicContact CB-CG1 4.35Å; I417-V446 HydrophobicContact CG2-CG1 3.96Å |
| 418 | V | 93.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | T414 Q415 H420 F421 V446 Q447 L450 | T414-V418 WeakPolarHBondContact O-CG2 3.45Å; T414-V418 PolarHBondContact O-N 3.44Å; Q415-V418 WeakPolarHBondContact O-CB 3.49Å; Q415-V418 PolarHBondContact O-N 2.95Å; V418-H420 VanDerWaalsContact C-N 3.31Å; V418-H420 PolarHBondContact O-N 3.11Å; V418-F421 PolarHBondContact O-N 3.22Å; V418-V446 HydrophobicContact CG2-CB 4.42Å; V418-V446 HydrophobicContact CG2-CG1 3.77Å; V418-Q447 HydrophobicContact CG1-CG 3.93Å; V418-Q447 HydrophobicContact CG2-CG 3.88Å; V418-L450 HydrophobicContact CG2-CD2 4.43Å |
| 419 | D | 91.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -36 | 179.7 | -62.1 | -23.8 | 0 | 0 | 0 | 111.4 | Q415 I417 F421 E422 D423 | Q415-D419 PolarHBondContact NE2-OD1 2.79Å; Q415-D419 PolarHBondContact NE2-OD2 3.47Å; Q415-D419 VanDerWaalsContact O-CG 3.27Å; Q415-D419 PolarHBondContact O-N 2.98Å; I417-D419 VanDerWaalsContact C-N 3.33Å; I417-D419 PolarHBondContact O-N 2.82Å; D419-F421 VanDerWaalsContact C-N 3.25Å; D419-F421 PolarHBondContact O-N 2.81Å; D419-E422 PolarHBondContact O-N 3.46Å; D419-D423 PolarHBondContact O-N 3.22Å |
| 420 | H | 89.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -24.8 | 179.2 | -154.6 | 87.8 | 0 | 0 | 0 | 113.6 | S314 W386 A416 I417 V418 E422 D423 R431 | S314-H420 PolarHBondContact O-CE1 2.8Å; S314-H420 PolarHBondContact O-NE2 3.34Å; W386-H420 AromaticContact CD1-CD2 3.97Å; W386-H420 AromaticContact CD1-NE2 3.74Å; W386-H420 AromaticContact NE1-CD2 3.07Å; W386-H420 PolarHBondContact NE1-CD2 3.16Å; W386-H420 AromaticContact NE1-NE2 3.31Å; W386-H420 PolarHBondContact NE1-NE2 3.18Å; A416-H420 WeakPolarHBondContact O-CB 3.47Å; A416-H420 PolarHBondContact O-N 3.24Å; I417-H420 PolarHBondContact O-N 2.98Å; V418-H420 VanDerWaalsContact C-N 3.31Å; V418-H420 PolarHBondContact O-N 3.11Å; H420-E422 PolarHBondContact O-N 3.42Å; H420-D423 IonicContact CE1-OD2 3.18Å; H420-D423 WeakPolarHBondContact O-CB 3.38Å; H420-D423 PolarHBondContact O-N 2.77Å; H420-R431 PolarHBondContact O-NH1 2.74Å; H420-R431 PolarHBondContact O-NH2 3.34Å |
| 421 | F | 88.4 | Confident | 91.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -29.9 | 172.5 | -66.7 | -56.3 | 0 | 0 | 0 | 112.3 | W112 G114 P115 W386 V390 I417 V418 D419 R443 V446 | W112-F421 WeakPolarHBondContact O-CD1 3.39Å; W112-F421 WeakPolarHBondContact O-CE1 3.41Å; G114-F421 WeakPolarHBondContact CA-O 3.23Å; P115-F421 WeakPolarHBondContact CA-O 3.48Å; W386-F421 HydrophobicContact CH2-CD1 4.22Å; W386-F421 AromaticContact CH2-CE1 3.79Å; W386-F421 HydrophobicContact CH2-CE1 3.79Å; W386-F421 HydrophobicContact CZ2-CD1 4.21Å; W386-F421 HydrophobicContact CZ2-CE1 4.04Å; V390-F421 HydrophobicContact CG1-CZ 4.49Å; I417-F421 HydrophobicContact CG2-CE2 3.82Å; I417-F421 HydrophobicContact CG2-CZ 3.84Å; I417-F421 VanDerWaalsContact O-CD2 3.29Å; I417-F421 WeakPolarHBondContact O-CD2 3.5Å; I417-F421 PolarHBondContact O-N 3.08Å; V418-F421 PolarHBondContact O-N 3.22Å; D419-F421 VanDerWaalsContact C-N 3.25Å; D419-F421 PolarHBondContact O-N 2.81Å; F421-R443 HydrophobicContact CD2-CB 4.45Å; F421-R443 HydrophobicContact CD2-CG 4.04Å; F421-R443 HydrophobicContact CG-CG 4.49Å; F421-V446 HydrophobicContact CE2-CB 4Å; F421-V446 HydrophobicContact CE2-CG1 4.19Å; F421-V446 HydrophobicContact CE2-CG2 3.92Å; F421-V446 HydrophobicContact CZ-CG2 3.97Å |
| 422 | E | 88.3 | Confident | 91.1 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -86.6 | -11.7 | 178.3 | -63.8 | -68.3 | -176.7 | 0 | 0 | 113 | P116 D419 H420 Q424 R443 | P116-E422 VanDerWaalsContact CD-OE2 3.32Å; P116-E422 WeakPolarHBondContact CD-OE2 3.44Å; P116-E422 WeakPolarHBondContact CG-OE2 3.46Å; D419-E422 PolarHBondContact O-N 3.46Å; H420-E422 PolarHBondContact O-N 3.42Å; E422-Q424 PolarHBondContact O-N 2.76Å; E422-R443 IonicContact OE1-CZ 3.87Å; E422-R443 IonicContact OE1-NH1 3.53Å; E422-R443 PolarHBondContact OE1-NH1 3.41Å; E422-R443 IonicContact OE1-NH2 2.74Å; E422-R443 PolarHBondContact OE1-NH2 2.75Å |
| 423 | D | 87.6 | Confident | 91.1 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | trans | -68.2 | 127.6 | -178.1 | -178.6 | 25.2 | 0 | 0 | 0 | 112 | D419 H420 S425 R431 | D419-D423 PolarHBondContact O-N 3.22Å; H420-D423 IonicContact CE1-OD2 3.18Å; H420-D423 WeakPolarHBondContact O-CB 3.38Å; H420-D423 PolarHBondContact O-N 2.77Å; D423-S425 VanDerWaalsContact CG-OG 3.29Å; D423-S425 VanDerWaalsContact OD1-CB 3.28Å; D423-S425 WeakPolarHBondContact OD1-CB 3.45Å; D423-S425 PolarHBondContact OD1-N 3.5Å; D423-S425 PolarHBondContact OD1-OG 3.2Å; D423-S425 PolarHBondContact OD2-OG 3.21Å; D423-R431 PolarHBondContact O-NH2 2.79Å | ||
| 424 | Q | 86.3 | Confident | 90.9 | Very high | 166 Ų | 166 | 39.7 Ų | 39.7 | 78% | 0.776 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -93.1 | -6.3 | 178 | -61.9 | 179.7 | 3.1 | 0 | 0 | 112.6 | P115 E422 | P115-Q424 HydrophobicContact CB-CG 4.07Å; P115-Q424 HydrophobicContact CG-CG 4.2Å; E422-Q424 PolarHBondContact O-N 2.76Å |
| 425 | S | 86.5 | Confident | 90.9 | Very high | 78 Ų | 78 | 40 Ų | 40 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -70.5 | -31.4 | -175.6 | 84.5 | 0 | 0 | 0 | 0 | 113.5 | D423 | D423-S425 VanDerWaalsContact CG-OG 3.29Å; D423-S425 VanDerWaalsContact OD1-CB 3.28Å; D423-S425 WeakPolarHBondContact OD1-CB 3.45Å; D423-S425 PolarHBondContact OD1-N 3.5Å; D423-S425 PolarHBondContact OD1-OG 3.2Å; D423-S425 PolarHBondContact OD2-OG 3.21Å |
| 426 | C | 86.5 | Confident | 90.9 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -91.5 | 119.3 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 111 | R431 | C426-R431 PolarHBondContact O-NE 3.03Å; C426-R431 VanDerWaalsContact SG-CG 3.59Å |
| 427 | P | 89.5 | Confident | 90.9 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | trans | -58.1 | 146.6 | 177.3 | -24.1 | 33.9 | 0 | 0 | 0 | 113.2 | S429 E430 R431 | P427-S429 VanDerWaalsContact C-N 3.29Å; P427-S429 PolarHBondContact O-N 3.2Å; P427-E430 HydrophobicContact CB-CG 4.35Å; P427-E430 HydrophobicContact CG-CG 4.46Å; P427-E430 WeakPolarHBondContact O-CB 3.46Å; P427-E430 PolarHBondContact O-N 3.42Å; P427-E430 VanDerWaalsContact O-N 3.15Å; P427-R431 PolarHBondContact O-N 2.93Å | ||
| 428 | V | 89.7 | Confident | 90.7 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | -178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | F44 Q109 E430 R431 L432 | F44-V428 HydrophobicContact CE2-CG1 4.04Å; Q109-V428 HydrophobicContact CB-CG1 4.15Å; Q109-V428 HydrophobicContact CG-CG1 3.89Å; Q109-V428 HydrophobicContact CG-CG2 4.1Å; Q109-V428 VanDerWaalsContact NE2-CG2 3.28Å; V428-E430 PolarHBondContact O-N 3.28Å; V428-R431 PolarHBondContact O-N 2.98Å; V428-R431 VanDerWaalsContact O-N 3.11Å; V428-L432 HydrophobicContact CG1-CD1 3.73Å; V428-L432 HydrophobicContact CG1-CG 4.11Å; V428-L432 WeakPolarHBondContact O-CG 3.3Å; V428-L432 PolarHBondContact O-N 3.49Å |
| 429 | S | 90.1 | Very high | 90.5 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -35.4 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | P427 | P427-S429 VanDerWaalsContact C-N 3.29Å; P427-S429 PolarHBondContact O-N 3.2Å |
| 430 | E | 91.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 16% | 0.159 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -41.8 | 174.5 | -69.8 | -60.1 | 142.6 | 0 | 0 | 112.1 | T310 P427 V428 L432 K433 | T310-E430 VanDerWaalsContact CA-OE2 3.26Å; T310-E430 WeakPolarHBondContact CA-OE2 3.38Å; T310-E430 WeakPolarHBondContact CB-OE2 3.25Å; T310-E430 HydrophobicContact CG2-CB 4.07Å; T310-E430 HydrophobicContact CG2-CG 4.47Å; T310-E430 PolarHBondContact OG1-OE2 2.91Å; P427-E430 HydrophobicContact CB-CG 4.35Å; P427-E430 HydrophobicContact CG-CG 4.46Å; P427-E430 WeakPolarHBondContact O-CB 3.46Å; P427-E430 PolarHBondContact O-N 3.42Å; P427-E430 VanDerWaalsContact O-N 3.15Å; V428-E430 PolarHBondContact O-N 3.28Å; E430-L432 VanDerWaalsContact C-N 3.31Å; E430-L432 PolarHBondContact O-N 3.47Å; E430-K433 PolarHBondContact O-N 2.93Å; E430-K433 WeakPolarHBondContact OE1-CE 3.49Å; E430-K433 IonicContact OE1-NZ 3.03Å; E430-K433 PolarHBondContact OE1-NZ 3.46Å; E430-K433 VanDerWaalsContact OE2-CE 3.31Å; E430-K433 WeakPolarHBondContact OE2-CE 3.36Å; E430-K433 IonicContact OE2-NZ 3.04Å; E430-K433 PolarHBondContact OE2-NZ 2.93Å |
| 431 | R | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -32.6 | 179.7 | -59.3 | -179.2 | 179.8 | -145.7 | -8 | 112.5 | T113 G114 W386 S387 H420 D423 C426 P427 V428 | T113-R431 HydrophobicContact CG2-CB 4.34Å; T113-R431 WeakPolarHBondContact O-CD 3.48Å; T113-R431 PolarHBondContact O-NH1 3.32Å; G114-R431 VanDerWaalsContact C-NH1 3.26Å; G114-R431 WeakPolarHBondContact O-CD 3.48Å; G114-R431 PolarHBondContact O-NH1 3.44Å; W386-R431 HydrophobicContact CD2-CB 3.97Å; W386-R431 HydrophobicContact CD2-CG 3.95Å; W386-R431 HydrophobicContact CE3-CB 3.83Å; W386-R431 HydrophobicContact CE3-CG 4.32Å; W386-R431 HydrophobicContact CG-CB 4.4Å; W386-R431 HydrophobicContact CG-CG 4.13Å; W386-R431 HydrophobicContact CZ3-CB 4.3Å; S387-R431 PolarHBondContact OG-O 3.36Å; H420-R431 PolarHBondContact O-NH1 2.74Å; H420-R431 PolarHBondContact O-NH2 3.34Å; D423-R431 PolarHBondContact O-NH2 2.79Å; C426-R431 PolarHBondContact O-NE 3.03Å; C426-R431 VanDerWaalsContact SG-CG 3.59Å; P427-R431 PolarHBondContact O-N 2.93Å; V428-R431 PolarHBondContact O-N 2.98Å; V428-R431 VanDerWaalsContact O-N 3.11Å |
| 432 | L | 93.2 | Very high | 91.1 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.6 | -177.2 | -73.2 | 174.4 | 0 | 0 | 0 | 114.7 | F44 H105 A108 T113 V428 E430 V434 F435 | F44-L432 HydrophobicContact CE2-CD1 3.51Å; F44-L432 HydrophobicContact CZ-CD1 3.69Å; H105-L432 HydrophobicContact CB-CD1 3.98Å; A108-L432 HydrophobicContact CB-CD2 4.29Å; T113-L432 HydrophobicContact CG2-CD2 4.07Å; V428-L432 HydrophobicContact CG1-CD1 3.73Å; V428-L432 HydrophobicContact CG1-CG 4.11Å; V428-L432 WeakPolarHBondContact O-CG 3.3Å; V428-L432 PolarHBondContact O-N 3.49Å; E430-L432 VanDerWaalsContact C-N 3.31Å; E430-L432 PolarHBondContact O-N 3.47Å; L432-V434 PolarHBondContact O-N 3.17Å; L432-F435 HydrophobicContact CD2-CB 4.34Å; L432-F435 HydrophobicContact CD2-CD1 4.35Å; L432-F435 HydrophobicContact CD2-CG 4.25Å; L432-F435 VanDerWaalsContact O-CB 3.26Å; L432-F435 WeakPolarHBondContact O-CB 3.41Å; L432-F435 PolarHBondContact O-N 2.99Å; L432-F435 VanDerWaalsContact O-N 3.09Å |
| 433 | K | 93.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 123.7 | 175.7 | -72.7 | 174.6 | 177.7 | 177.2 | 0 | 110.2 | P307 T308 F385 E430 F435 | P307-K433 HydrophobicContact CB-CD 4.03Å; P307-K433 HydrophobicContact CB-CG 4.07Å; T308-K433 PolarHBondContact O-NZ 2.94Å; T308-K433 PolarHBondContact OG1-NZ 3.41Å; F385-K433 HydrophobicContact CD1-CB 4.47Å; F385-K433 HydrophobicContact CD1-CD 4.41Å; E430-K433 PolarHBondContact O-N 2.93Å; E430-K433 WeakPolarHBondContact OE1-CE 3.49Å; E430-K433 IonicContact OE1-NZ 3.03Å; E430-K433 PolarHBondContact OE1-NZ 3.46Å; E430-K433 VanDerWaalsContact OE2-CE 3.31Å; E430-K433 WeakPolarHBondContact OE2-CE 3.36Å; E430-K433 IonicContact OE2-NZ 3.04Å; E430-K433 PolarHBondContact OE2-NZ 2.93Å; K433-F435 PolarHBondContact O-N 2.93Å |
| 434 | V | 93 | Very high | 91.7 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 20.9 | -177.5 | -62.3 | 0 | 0 | 0 | 0 | 115.7 | P307 A345 F385 V388 L432 Y436 C437 C438 | P307-V434 HydrophobicContact CG-CG1 4.28Å; A345-V434 HydrophobicContact CB-CG1 3.67Å; A345-V434 HydrophobicContact CB-CG2 4.32Å; F385-V434 HydrophobicContact CB-CG2 4.5Å; V388-V434 HydrophobicContact CG2-CG2 3.97Å; L432-V434 PolarHBondContact O-N 3.17Å; V434-Y436 PolarHBondContact O-N 3.18Å; V434-C437 HydrophobicContact CB-CB 4.44Å; V434-C437 WeakPolarHBondContact O-CB 3.45Å; V434-C437 PolarHBondContact O-N 3.2Å; V434-C438 PolarHBondContact O-SG 2.58Å |
| 435 | F | 95.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -52.5 | -48.2 | -175.3 | 165.4 | -102.2 | 0 | 0 | 0 | 113.4 | A108 W112 T113 L193 S387 L432 K433 C437 C438 V440 | A108-F435 HydrophobicContact CB-CD1 4.47Å; A108-F435 HydrophobicContact CB-CE1 3.78Å; A108-F435 HydrophobicContact CB-CZ 4Å; W112-F435 HydrophobicContact CB-CE2 3.61Å; W112-F435 HydrophobicContact CB-CZ 3.77Å; W112-F435 AromaticContact CD1-CZ 3.99Å; W112-F435 HydrophobicContact CD2-CZ 4.28Å; W112-F435 AromaticContact CG-CE2 3.94Å; W112-F435 HydrophobicContact CG-CE2 3.94Å; W112-F435 AromaticContact CG-CZ 3.75Å; W112-F435 HydrophobicContact CG-CZ 3.75Å; T113-F435 HydrophobicContact CG2-CD2 3.7Å; T113-F435 HydrophobicContact CG2-CE2 3.86Å; T113-F435 HydrophobicContact CG2-CG 4.47Å; L193-F435 HydrophobicContact CD2-CE1 4.09Å; L193-F435 HydrophobicContact CD2-CZ 4.18Å; S387-F435 WeakPolarHBondContact OG-CA 3.38Å; L432-F435 HydrophobicContact CD2-CB 4.34Å; L432-F435 HydrophobicContact CD2-CD1 4.35Å; L432-F435 HydrophobicContact CD2-CG 4.25Å; L432-F435 VanDerWaalsContact O-CB 3.26Å; L432-F435 WeakPolarHBondContact O-CB 3.41Å; L432-F435 PolarHBondContact O-N 2.99Å; L432-F435 VanDerWaalsContact O-N 3.09Å; K433-F435 PolarHBondContact O-N 2.93Å; F435-C437 PolarHBondContact O-N 3.03Å; F435-C438 PolarHBondContact O-N 3.19Å; F435-V440 HydrophobicContact CD2-CB 4.08Å; F435-V440 HydrophobicContact CD2-CG2 3.82Å; F435-V440 HydrophobicContact CE2-CB 3.84Å; F435-V440 HydrophobicContact CE2-CG1 4.47Å; F435-V440 HydrophobicContact CE2-CG2 4.12Å |
| 436 | Y | 94.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -67.5 | -18.3 | -178 | -63.3 | -73.8 | 0 | 0 | 0 | 113.3 | H105 W186 R189 L193 E236 V434 | H105-Y436 AromaticContact CE1-CE2 3.72Å; W186-Y436 HydrophobicContact CZ3-CE2 4.45Å; R189-Y436 HydrophobicContact CB-CD1 3.88Å; R189-Y436 HydrophobicContact CB-CE1 3.73Å; R189-Y436 HydrophobicContact CB-CG 4.4Å; R189-Y436 HydrophobicContact CG-CD1 3.73Å; R189-Y436 HydrophobicContact CG-CD2 4.09Å; R189-Y436 HydrophobicContact CG-CE1 4.02Å; R189-Y436 HydrophobicContact CG-CE2 4.35Å; R189-Y436 HydrophobicContact CG-CG 3.77Å; L193-Y436 HydrophobicContact CD1-CE1 4.02Å; L193-Y436 HydrophobicContact CG-CE1 4.25Å; E236-Y436 WeakPolarHBondContact OE1-CB 3.12Å; V434-Y436 PolarHBondContact O-N 3.18Å |
| 437 | C | 92.9 | Very high | 93 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -93.6 | 2.7 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | Q232 L235 Y239 A349 V434 F435 | Q232-C437 WeakPolarHBondContact CB-SG 3.3Å; Q232-C437 VanDerWaalsContact CG-SG 3.6Å; L235-C437 HydrophobicContact CB-CB 4.49Å; L235-C437 HydrophobicContact CD1-CB 4.42Å; Y239-C437 WeakPolarHBondContact CE2-O 3.23Å; Y239-C437 PolarHBondContact OH-O 2.84Å; A349-C437 HydrophobicContact CB-CB 4.02Å; V434-C437 HydrophobicContact CB-CB 4.44Å; V434-C437 WeakPolarHBondContact O-CB 3.45Å; V434-C437 PolarHBondContact O-N 3.2Å; F435-C437 PolarHBondContact O-N 3.03Å |
| 438 | C | 90.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 2.4 | -171.8 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | L352 V388 T391 V434 F435 V440 | L352-C438 HydrophobicContact CD1-CB 4.3Å; V388-C438 VanDerWaalsContact CG2-SG 3.57Å; T391-C438 WeakPolarHBondContact CB-O 3.36Å; T391-C438 WeakPolarHBondContact CG2-O 3.26Å; T391-C438 PolarHBondContact OG1-O 3.33Å; V434-C438 PolarHBondContact O-SG 2.58Å; F435-C438 PolarHBondContact O-N 3.19Å; C438-V440 HydrophobicContact CB-CG2 4.16Å; C438-V440 PolarHBondContact O-N 3.08Å; C438-V440 VanDerWaalsContact O-N 3.1Å |
| 439 | Q | 88.8 | Confident | 93.6 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 24% | 0.243 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.3 | 48.6 | -174.7 | -75.7 | -164.8 | -12 | 0 | 0 | 113.5 | Y239 | Y239-Q439 VanDerWaalsContact CB-NE2 3.26Å; Y239-Q439 HydrophobicContact CD1-CB 4.41Å; Y239-Q439 HydrophobicContact CD1-CG 3.39Å; Y239-Q439 HydrophobicContact CD2-CG 4.14Å; Y239-Q439 HydrophobicContact CE1-CB 4.35Å; Y239-Q439 HydrophobicContact CE1-CG 3.79Å; Y239-Q439 HydrophobicContact CG-CG 3.56Å; Y239-Q439 PolarHBondContact O-NE2 3.24Å |
| 440 | V | 93.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 130.2 | 178.1 | -177 | 0 | 0 | 0 | 0 | 108.6 | W112 W386 V390 T391 F435 C438 | W112-V440 PolarHBondContact NE1-O 3.16Å; W386-V440 HydrophobicContact CZ3-CG1 4.36Å; V390-V440 HydrophobicContact CG1-CG1 4.02Å; T391-V440 WeakPolarHBondContact OG1-CA 3.49Å; F435-V440 HydrophobicContact CD2-CB 4.08Å; F435-V440 HydrophobicContact CD2-CG2 3.82Å; F435-V440 HydrophobicContact CE2-CB 3.84Å; F435-V440 HydrophobicContact CE2-CG1 4.47Å; F435-V440 HydrophobicContact CE2-CG2 4.12Å; C438-V440 HydrophobicContact CB-CG2 4.16Å; C438-V440 PolarHBondContact O-N 3.08Å; C438-V440 VanDerWaalsContact O-N 3.1Å |
| 441 | P | 94.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 12% | 0.123 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 143.5 | 178.4 | 26.8 | -33.3 | 0 | 0 | 0 | 110.7 | C394 A445 V446 | C394-P441 HydrophobicContact CB-CG 4.24Å; P441-A445 HydrophobicContact CB-CB 4.33Å; P441-V446 HydrophobicContact CB-CG2 4.02Å; P441-V446 HydrophobicContact CG-CG2 3.64Å |
| 442 | P | 95.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 7% | 0.071 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 157.1 | 174.6 | 26.5 | -32.6 | 0 | 0 | 0 | 110.9 | W112 W444 A445 V446 | W112-P442 HydrophobicContact CD2-CB 4.22Å; W112-P442 HydrophobicContact CG-CB 4.36Å; W112-P442 HydrophobicContact CZ2-CB 4.12Å; P442-W444 VanDerWaalsContact C-N 3.31Å; P442-W444 HydrophobicContact CB-CD2 3.82Å; P442-W444 HydrophobicContact CB-CE3 3.91Å; P442-W444 HydrophobicContact CB-CH2 3.46Å; P442-W444 VanDerWaalsContact CB-CH2 3.46Å; P442-W444 HydrophobicContact CB-CZ2 3.37Å; P442-W444 HydrophobicContact CB-CZ3 3.75Å; P442-W444 HydrophobicContact CG-CD2 4.16Å; P442-W444 HydrophobicContact CG-CH2 4.16Å; P442-W444 HydrophobicContact CG-CZ2 3.53Å; P442-W444 PolarHBondContact O-N 3.03Å; P442-A445 HydrophobicContact CG-CB 3.75Å; P442-A445 WeakPolarHBondContact O-CA 3.35Å; P442-A445 WeakPolarHBondContact O-CB 3.32Å; P442-A445 PolarHBondContact O-N 3.09Å; P442-V446 PolarHBondContact O-N 3.39Å |
| 443 | R | 94.2 | Very high | 94.2 | Very high | 64 Ų | 64 | 20.5 Ų | 20.5 | 24% | 0.242 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -51.7 | -47.2 | -175.8 | 178.9 | -173.8 | 166.7 | 159.6 | 7.3 | 112.9 | N111 F421 E422 A445 V446 Q447 | N111-R443 WeakPolarHBondContact O-CB 3.39Å; N111-R443 PolarHBondContact O-N 3.36Å; F421-R443 HydrophobicContact CD2-CB 4.45Å; F421-R443 HydrophobicContact CD2-CG 4.04Å; F421-R443 HydrophobicContact CG-CG 4.49Å; E422-R443 IonicContact OE1-CZ 3.87Å; E422-R443 IonicContact OE1-NH1 3.53Å; E422-R443 PolarHBondContact OE1-NH1 3.41Å; E422-R443 IonicContact OE1-NH2 2.74Å; E422-R443 PolarHBondContact OE1-NH2 2.75Å; R443-A445 VanDerWaalsContact C-N 3.25Å; R443-A445 PolarHBondContact O-N 3.4Å; R443-V446 PolarHBondContact O-N 3.3Å; R443-Q447 WeakPolarHBondContact O-CG 3.36Å; R443-Q447 PolarHBondContact O-N 3.21Å |
| 444 | W | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 20.3 Ų | 20.3 | 12% | 0.117 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.8 | -27.9 | 179.8 | 61.4 | 88.5 | 0 | 0 | 0 | 112.6 | N111 W112 Y154 V157 I197 P442 K448 L470 | N111-W444 HydrophobicContact CB-CH2 4.27Å; N111-W444 HydrophobicContact CB-CZ3 3.81Å; W112-W444 HydrophobicContact CH2-CH2 4.17Å; W112-W444 HydrophobicContact CZ2-CH2 4.34Å; Y154-W444 AromaticContact CD1-CD2 3.73Å; Y154-W444 HydrophobicContact CD1-CD2 3.73Å; Y154-W444 AromaticContact CD1-CE2 3.92Å; Y154-W444 AromaticContact CD1-CE3 3.94Å; Y154-W444 HydrophobicContact CD1-CE3 3.94Å; Y154-W444 HydrophobicContact CD1-CG 4.1Å; Y154-W444 HydrophobicContact CD1-CZ2 4.33Å; Y154-W444 HydrophobicContact CD1-CZ3 4.32Å; Y154-W444 HydrophobicContact CE1-CB 3.88Å; Y154-W444 AromaticContact CE1-CD2 3.59Å; Y154-W444 HydrophobicContact CE1-CD2 3.59Å; Y154-W444 AromaticContact CE1-CE3 3.75Å; Y154-W444 HydrophobicContact CE1-CE3 3.75Å; Y154-W444 AromaticContact CE1-CG 3.65Å; Y154-W444 HydrophobicContact CE1-CG 3.65Å; Y154-W444 HydrophobicContact CE1-CZ3 4.5Å; Y154-W444 AromaticContact CZ-CG 3.9Å; V157-W444 HydrophobicContact CG2-CH2 4.41Å; I197-W444 HydrophobicContact CG2-CH2 3.93Å; I197-W444 HydrophobicContact CG2-CZ2 4.16Å; P442-W444 VanDerWaalsContact C-N 3.31Å; P442-W444 HydrophobicContact CB-CD2 3.82Å; P442-W444 HydrophobicContact CB-CE3 3.91Å; P442-W444 HydrophobicContact CB-CH2 3.46Å; P442-W444 VanDerWaalsContact CB-CH2 3.46Å; P442-W444 HydrophobicContact CB-CZ2 3.37Å; P442-W444 HydrophobicContact CB-CZ3 3.75Å; P442-W444 HydrophobicContact CG-CD2 4.16Å; P442-W444 HydrophobicContact CG-CH2 4.16Å; P442-W444 HydrophobicContact CG-CZ2 3.53Å; P442-W444 PolarHBondContact O-N 3.03Å; W444-K448 WeakPolarHBondContact O-CB 3.34Å; W444-K448 PolarHBondContact O-N 3.47Å; W444-L470 HydrophobicContact CB-CD2 4.29Å |
| 445 | A | 94.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 30% | 0.298 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -72 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | P441 P442 R443 K448 L449 | P441-A445 HydrophobicContact CB-CB 4.33Å; P442-A445 HydrophobicContact CG-CB 3.75Å; P442-A445 WeakPolarHBondContact O-CA 3.35Å; P442-A445 WeakPolarHBondContact O-CB 3.32Å; P442-A445 PolarHBondContact O-N 3.09Å; R443-A445 VanDerWaalsContact C-N 3.25Å; R443-A445 PolarHBondContact O-N 3.4Å; A445-K448 PolarHBondContact O-N 2.82Å; A445-L449 PolarHBondContact O-N 3.09Å |
| 446 | V | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.5 | -42.8 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | T414 I417 V418 F421 P441 P442 R443 K448 L449 L450 | T414-V446 HydrophobicContact CG2-CG1 3.8Å; I417-V446 HydrophobicContact CB-CG1 4.35Å; I417-V446 HydrophobicContact CG2-CG1 3.96Å; V418-V446 HydrophobicContact CG2-CB 4.42Å; V418-V446 HydrophobicContact CG2-CG1 3.77Å; F421-V446 HydrophobicContact CE2-CB 4Å; F421-V446 HydrophobicContact CE2-CG1 4.19Å; F421-V446 HydrophobicContact CE2-CG2 3.92Å; F421-V446 HydrophobicContact CZ-CG2 3.97Å; P441-V446 HydrophobicContact CB-CG2 4.02Å; P441-V446 HydrophobicContact CG-CG2 3.64Å; P442-V446 PolarHBondContact O-N 3.39Å; R443-V446 PolarHBondContact O-N 3.3Å; V446-K448 VanDerWaalsContact C-N 3.33Å; V446-K448 PolarHBondContact O-N 3.47Å; V446-L449 WeakPolarHBondContact O-CB 3.37Å; V446-L449 PolarHBondContact O-N 2.94Å; V446-L449 VanDerWaalsContact O-N 3.15Å; V446-L450 PolarHBondContact O-N 3.06Å |
| 447 | Q | 95.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.9 | -66.5 | 172.7 | -56.7 | 0 | 0 | 112.1 | V418 R443 L450 A451 L470 | V418-Q447 HydrophobicContact CG1-CG 3.93Å; V418-Q447 HydrophobicContact CG2-CG 3.88Å; R443-Q447 WeakPolarHBondContact O-CG 3.36Å; R443-Q447 PolarHBondContact O-N 3.21Å; Q447-L450 WeakPolarHBondContact O-CB 3.48Å; Q447-L450 PolarHBondContact O-N 3.19Å; Q447-A451 PolarHBondContact O-N 3.38Å; Q447-L470 HydrophobicContact CB-CD1 3.76Å; Q447-L470 HydrophobicContact CB-CD2 4.23Å; Q447-L470 VanDerWaalsContact OE1-CD2 3.23Å |
| 448 | K | 95.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 28.6 Ų | 28.6 | 36% | 0.357 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63 | -40.5 | 170.8 | 171.6 | 165.1 | -174.9 | 152.9 | 0 | 111.8 | W444 A445 V446 A451 S452 Y467 L472 D475 | W444-K448 WeakPolarHBondContact O-CB 3.34Å; W444-K448 PolarHBondContact O-N 3.47Å; A445-K448 PolarHBondContact O-N 2.82Å; V446-K448 VanDerWaalsContact C-N 3.33Å; V446-K448 PolarHBondContact O-N 3.47Å; K448-A451 PolarHBondContact O-N 3.4Å; K448-S452 WeakPolarHBondContact O-CB 3.33Å; K448-S452 PolarHBondContact O-N 2.95Å; K448-Y467 HydrophobicContact CB-CE1 4.43Å; K448-Y467 HydrophobicContact CG-CE1 4.08Å; K448-Y467 PolarHBondContact O-OH 3.21Å; K448-L472 HydrophobicContact CB-CD1 4.15Å; K448-L472 HydrophobicContact CD-CD1 4.04Å; K448-L472 HydrophobicContact CG-CD1 4.43Å; K448-D475 WeakPolarHBondContact CE-OD2 3.01Å; K448-D475 VanDerWaalsContact NZ-CG 3.29Å; K448-D475 IonicContact NZ-OD1 3.67Å; K448-D475 PolarHBondContact NZ-OD1 3.08Å; K448-D475 VanDerWaalsContact NZ-OD1 3.09Å; K448-D475 IonicContact NZ-OD2 2.95Å; K448-D475 PolarHBondContact NZ-OD2 3.06Å |
| 449 | L | 95.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.4 | 178.1 | 62 | 0 | 0 | 0 | 111.1 | T397 K398 T414 A445 V446 S452 L453 | T397-L449 HydrophobicContact CG2-CD2 3.9Å; T397-L449 HydrophobicContact CG2-CG 4.36Å; K398-L449 HydrophobicContact CG-CD1 3.97Å; K398-L449 HydrophobicContact CG-CD2 3.99Å; T414-L449 HydrophobicContact CG2-CB 4.4Å; T414-L449 HydrophobicContact CG2-CD2 4.33Å; T414-L449 HydrophobicContact CG2-CG 4.28Å; A445-L449 PolarHBondContact O-N 3.09Å; V446-L449 WeakPolarHBondContact O-CB 3.37Å; V446-L449 PolarHBondContact O-N 2.94Å; V446-L449 VanDerWaalsContact O-N 3.15Å; L449-S452 WeakPolarHBondContact O-CB 3.49Å; L449-S452 PolarHBondContact O-N 3.05Å; L449-L453 HydrophobicContact CG-CD1 4.27Å; L449-L453 WeakPolarHBondContact O-CG 3.38Å; L449-L453 PolarHBondContact O-N 2.65Å |
| 450 | L | 95.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 175.3 | 177.7 | 64.8 | 0 | 0 | 0 | 111.7 | M411 T414 Q415 V418 V446 Q447 S452 L453 L454 L466 | M411-L450 HydrophobicContact CG-CD1 4.06Å; M411-L450 HydrophobicContact SD-CD1 4.41Å; T414-L450 HydrophobicContact CG2-CB 3.74Å; T414-L450 HydrophobicContact CG2-CD1 4.46Å; Q415-L450 HydrophobicContact CB-CD1 4.36Å; V418-L450 HydrophobicContact CG2-CD2 4.43Å; V446-L450 PolarHBondContact O-N 3.06Å; Q447-L450 WeakPolarHBondContact O-CB 3.48Å; Q447-L450 PolarHBondContact O-N 3.19Å; L450-S452 PolarHBondContact O-N 3.3Å; L450-L453 PolarHBondContact O-N 2.66Å; L450-L453 VanDerWaalsContact O-N 3.16Å; L450-L454 HydrophobicContact CG-CD1 4.4Å; L450-L454 WeakPolarHBondContact O-CG 2.83Å; L450-L454 PolarHBondContact O-N 2.94Å; L450-L466 HydrophobicContact CD2-CD1 4.12Å; L450-L466 HydrophobicContact CG-CD1 4.25Å |
| 451 | A | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q447 K448 L454 I455 A463 L466 Y467 | Q447-A451 PolarHBondContact O-N 3.38Å; K448-A451 PolarHBondContact O-N 3.4Å; A451-L454 PolarHBondContact O-N 3.46Å; A451-I455 WeakPolarHBondContact O-CG1 3.2Å; A451-I455 PolarHBondContact O-N 3.45Å; A451-I455 VanDerWaalsContact O-N 3.12Å; A451-A463 HydrophobicContact CB-CB 4.27Å; A451-A463 VanDerWaalsContact O-CB 3.25Å; A451-A463 WeakPolarHBondContact O-CB 3.27Å; A451-L466 HydrophobicContact CB-CB 4.05Å; A451-L466 HydrophobicContact CB-CD1 4.05Å; A451-Y467 HydrophobicContact CB-CD1 4.08Å; A451-Y467 HydrophobicContact CB-CD2 4.39Å; A451-Y467 HydrophobicContact CB-CE1 3.53Å; A451-Y467 HydrophobicContact CB-CE2 3.9Å; A451-Y467 HydrophobicContact CB-CG 4.46Å; A451-Y467 VanDerWaalsContact CB-CZ 3.42Å |
| 452 | S | 94.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.7 | -135.3 | 0 | 0 | 0 | 0 | 112.8 | R401 K448 L449 L450 I455 D456 Y467 | R401-S452 VanDerWaalsContact NH1-CB 3.34Å; R401-S452 PolarHBondContact NH1-OG 3.46Å; R401-S452 PolarHBondContact NH2-O 3.11Å; R401-S452 PolarHBondContact NH2-OG 3.24Å; K448-S452 WeakPolarHBondContact O-CB 3.33Å; K448-S452 PolarHBondContact O-N 2.95Å; L449-S452 WeakPolarHBondContact O-CB 3.49Å; L449-S452 PolarHBondContact O-N 3.05Å; L450-S452 PolarHBondContact O-N 3.3Å; S452-I455 WeakPolarHBondContact O-CB 3.2Å; S452-I455 PolarHBondContact O-N 3.21Å; S452-D456 PolarHBondContact O-N 3.23Å; S452-Y467 PolarHBondContact N-OH 3.05Å |
| 453 | L | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 175.1 | -71.6 | 163.7 | 0 | 0 | 0 | 111.9 | T397 R401 V407 A410 M411 T414 L449 L450 I455 D456 L457 | T397-L453 HydrophobicContact CG2-CD1 3.63Å; R401-L453 HydrophobicContact CB-CD2 3.92Å; R401-L453 HydrophobicContact CG-CD2 3.75Å; V407-L453 HydrophobicContact CG2-CD2 4.22Å; A410-L453 HydrophobicContact CB-CD1 4.42Å; A410-L453 HydrophobicContact CB-CD2 4.18Å; M411-L453 HydrophobicContact CB-CB 4.43Å; T414-L453 VanDerWaalsContact OG1-CD1 3.29Å; T414-L453 WeakPolarHBondContact OG1-CD1 3.16Å; L449-L453 HydrophobicContact CG-CD1 4.27Å; L449-L453 WeakPolarHBondContact O-CG 3.38Å; L449-L453 PolarHBondContact O-N 2.65Å; L450-L453 PolarHBondContact O-N 2.66Å; L450-L453 VanDerWaalsContact O-N 3.16Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 3.25Å; L453-D456 PolarHBondContact O-N 2.93Å; L453-D456 VanDerWaalsContact O-N 3.12Å; L453-L457 WeakPolarHBondContact O-CG 3.39Å; L453-L457 PolarHBondContact O-N 3.1Å |
| 454 | L | 94.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -37.3 | 173.8 | -73.2 | 169.4 | 0 | 0 | 0 | 111.8 | M411 L450 A451 L457 G458 C459 A463 L466 | M411-L454 HydrophobicContact CG-CD2 4.43Å; L450-L454 HydrophobicContact CG-CD1 4.4Å; L450-L454 WeakPolarHBondContact O-CG 2.83Å; L450-L454 PolarHBondContact O-N 2.94Å; A451-L454 PolarHBondContact O-N 3.46Å; L454-L457 PolarHBondContact O-N 3.32Å; L454-G458 PolarHBondContact O-N 3.46Å; L454-C459 HydrophobicContact CB-CB 4.23Å; L454-C459 HydrophobicContact CD2-CB 4.08Å; L454-C459 CarbonylContact O-C 3.46Å; L454-C459 WeakPolarHBondContact O-CA 3.44Å; L454-C459 WeakPolarHBondContact O-CB 2.92Å; L454-C459 PolarHBondContact O-N 3.09Å; L454-A463 HydrophobicContact CB-CB 4.07Å; L454-L466 HydrophobicContact CD1-CD1 3.6Å |
| 455 | I | 92.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 172.7 | -69.3 | 171.9 | 0 | 0 | 0 | 111.1 | A451 S452 L453 L457 G458 A463 Y467 K482 | A451-I455 WeakPolarHBondContact O-CG1 3.2Å; A451-I455 PolarHBondContact O-N 3.45Å; A451-I455 VanDerWaalsContact O-N 3.12Å; S452-I455 WeakPolarHBondContact O-CB 3.2Å; S452-I455 PolarHBondContact O-N 3.21Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 3.25Å; I455-L457 PolarHBondContact O-N 3.15Å; I455-G458 WeakPolarHBondContact O-CA 3.49Å; I455-G458 PolarHBondContact O-N 2.84Å; I455-A463 HydrophobicContact CD1-CB 4.13Å; I455-A463 HydrophobicContact CG1-CB 3.54Å; I455-Y467 HydrophobicContact CD1-CE2 3.9Å; I455-K482 HydrophobicContact CG2-CD 4.28Å |
| 456 | D | 90.1 | Very high | 94.2 | Very high | 74 Ų | 74 | 36 Ų | 36 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.7 | -30.5 | -179.4 | -58.7 | -24.2 | 0 | 0 | 0 | 112.1 | R401 S452 L453 G458 | R401-D456 WeakPolarHBondContact CD-OD2 3.38Å; R401-D456 WeakPolarHBondContact CG-OD2 3.45Å; R401-D456 IonicContact CZ-OD1 2.75Å; R401-D456 IonicContact CZ-OD2 3.69Å; R401-D456 IonicContact NE-OD1 3.19Å; R401-D456 IonicContact NE-OD2 2.98Å; R401-D456 PolarHBondContact NE-OD2 3.09Å; R401-D456 IonicContact NH2-OD1 2.77Å; R401-D456 PolarHBondContact NH2-OD1 3.22Å; R401-D456 IonicContact NH2-OD2 2.65Å; R401-D456 PolarHBondContact NH2-OD2 3.01Å; S452-D456 PolarHBondContact O-N 3.23Å; L453-D456 PolarHBondContact O-N 2.93Å; L453-D456 VanDerWaalsContact O-N 3.12Å; D456-G458 PolarHBondContact O-N 3.04Å |
| 457 | L | 90.7 | Very high | 94.2 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.3 | 171.1 | -70.5 | 171.5 | 0 | 0 | 0 | 113.6 | V407 E408 M411 L453 L454 I455 | V407-L457 HydrophobicContact CB-CD2 4.48Å; V407-L457 HydrophobicContact CG1-CD2 3.63Å; V407-L457 HydrophobicContact CG2-CD2 4.12Å; V407-L457 HydrophobicContact CG2-CG 4.24Å; E408-L457 HydrophobicContact CG-CD2 4.32Å; M411-L457 HydrophobicContact CB-CD1 3.92Å; M411-L457 HydrophobicContact CE-CD1 4.39Å; M411-L457 HydrophobicContact CG-CD1 3.84Å; L453-L457 WeakPolarHBondContact O-CG 3.39Å; L453-L457 PolarHBondContact O-N 3.1Å; L454-L457 PolarHBondContact O-N 3.32Å; I455-L457 PolarHBondContact O-N 3.15Å |
| 458 | G | 90.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 55% | 0.546 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 0.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L454 I455 D456 I460 | L454-G458 PolarHBondContact O-N 3.46Å; I455-G458 WeakPolarHBondContact O-CA 3.49Å; I455-G458 PolarHBondContact O-N 2.84Å; D456-G458 PolarHBondContact O-N 3.04Å; G458-I460 PolarHBondContact O-N 2.77Å |
| 459 | C | 93.5 | Very high | 94 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | trans | -82 | 55.6 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | L454 S461 S462 A463 | L454-C459 HydrophobicContact CB-CB 4.23Å; L454-C459 HydrophobicContact CD2-CB 4.08Å; L454-C459 CarbonylContact O-C 3.46Å; L454-C459 WeakPolarHBondContact O-CA 3.44Å; L454-C459 WeakPolarHBondContact O-CB 2.92Å; L454-C459 PolarHBondContact O-N 3.09Å; C459-S461 VanDerWaalsContact C-N 3.31Å; C459-S461 PolarHBondContact O-N 3.05Å; C459-S462 PolarHBondContact O-N 3.4Å; C459-A463 PolarHBondContact O-N 3.23Å | ||
| 460 | I | 94.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 18% | 0.179 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -33.6 | -171.9 | -54 | 171.2 | 0 | 0 | 0 | 112.3 | G458 A463 L464 C479 K482 L483 | G458-I460 PolarHBondContact O-N 2.77Å; I460-A463 PolarHBondContact O-N 3.49Å; I460-L464 WeakPolarHBondContact O-CB 3.48Å; I460-L464 PolarHBondContact O-N 3.06Å; I460-C479 HydrophobicContact CG2-CB 4.08Å; I460-K482 HydrophobicContact CD1-CB 4.19Å; I460-L483 HydrophobicContact CB-CD2 4.08Å; I460-L483 HydrophobicContact CB-CG 4.45Å; I460-L483 HydrophobicContact CD1-CD2 4.45Å; I460-L483 HydrophobicContact CG2-CD1 4.16Å; I460-L483 HydrophobicContact CG2-CD2 4.01Å; I460-L483 HydrophobicContact CG2-CG 3.82Å |
| 461 | S | 93.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 53% | 0.531 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | C459 L464 L465 | C459-S461 VanDerWaalsContact C-N 3.31Å; C459-S461 PolarHBondContact O-N 3.05Å; S461-L464 PolarHBondContact O-N 3.13Å; S461-L465 WeakPolarHBondContact O-CG 3.41Å; S461-L465 PolarHBondContact O-N 3.06Å; S461-L465 VanDerWaalsContact O-N 3.15Å |
| 462 | S | 94.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | C459 L464 L465 L466 | C459-S462 PolarHBondContact O-N 3.4Å; S462-L464 VanDerWaalsContact C-N 3.34Å; S462-L464 PolarHBondContact O-N 3.46Å; S462-L465 PolarHBondContact O-N 2.98Å; S462-L466 PolarHBondContact O-N 2.83Å; S462-L466 VanDerWaalsContact O-N 3.16Å |
| 463 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A451 L454 I455 C459 I460 L465 L466 Y467 | A451-A463 HydrophobicContact CB-CB 4.27Å; A451-A463 VanDerWaalsContact O-CB 3.25Å; A451-A463 WeakPolarHBondContact O-CB 3.27Å; L454-A463 HydrophobicContact CB-CB 4.07Å; I455-A463 HydrophobicContact CD1-CB 4.13Å; I455-A463 HydrophobicContact CG1-CB 3.54Å; C459-A463 PolarHBondContact O-N 3.23Å; I460-A463 PolarHBondContact O-N 3.49Å; A463-L465 PolarHBondContact O-N 2.62Å; A463-L466 PolarHBondContact O-N 3.33Å; A463-Y467 HydrophobicContact CB-CE2 4.45Å; A463-Y467 VanDerWaalsContact O-CD2 3.3Å; A463-Y467 WeakPolarHBondContact O-CD2 3.41Å; A463-Y467 PolarHBondContact O-N 3.36Å |
| 464 | L | 95.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.7 | 174.6 | 64.4 | 0 | 0 | 0 | 112.1 | I460 S461 S462 L466 Y467 Q468 A476 C479 Y480 L483 | I460-L464 WeakPolarHBondContact O-CB 3.48Å; I460-L464 PolarHBondContact O-N 3.06Å; S461-L464 PolarHBondContact O-N 3.13Å; S462-L464 VanDerWaalsContact C-N 3.34Å; S462-L464 PolarHBondContact O-N 3.46Å; L464-L466 VanDerWaalsContact C-N 3.34Å; L464-L466 PolarHBondContact O-N 3.21Å; L464-Y467 PolarHBondContact O-N 3.33Å; L464-Q468 HydrophobicContact CD1-CG 4.39Å; L464-Q468 WeakPolarHBondContact O-CG 2.98Å; L464-Q468 PolarHBondContact O-N 3.22Å; L464-A476 HydrophobicContact CD1-CB 3.96Å; L464-C479 HydrophobicContact CB-CB 4.02Å; L464-C479 HydrophobicContact CD1-CB 3.86Å; L464-C479 HydrophobicContact CG-CB 4.47Å; L464-Y480 HydrophobicContact CD1-CD2 3.96Å; L464-Y480 HydrophobicContact CD1-CE1 4.36Å; L464-Y480 HydrophobicContact CD1-CE2 3.62Å; L464-Y480 HydrophobicContact CD1-CG 4.46Å; L464-Y480 HydrophobicContact CD2-CD1 4.12Å; L464-Y480 HydrophobicContact CD2-CE1 3.54Å; L464-Y480 HydrophobicContact CD2-CE2 4.28Å; L464-L483 HydrophobicContact CD2-CD1 4.18Å |
| 465 | L | 95.3 | Very high | 93.3 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.9 | -70.3 | 172.6 | 0 | 0 | 0 | 111.6 | S461 S462 A463 Q468 Q469 | S461-L465 WeakPolarHBondContact O-CG 3.41Å; S461-L465 PolarHBondContact O-N 3.06Å; S461-L465 VanDerWaalsContact O-N 3.15Å; S462-L465 PolarHBondContact O-N 2.98Å; A463-L465 PolarHBondContact O-N 2.62Å; L465-Q468 PolarHBondContact O-N 3.29Å; L465-Q469 VanDerWaalsContact O-CG 3.32Å; L465-Q469 WeakPolarHBondContact O-CG 3.43Å; L465-Q469 PolarHBondContact O-N 2.65Å |
| 466 | L | 94.4 | Very high | 93.4 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.6 | -70.1 | 174.6 | 0 | 0 | 0 | 111.6 | L450 A451 L454 S462 A463 L464 Q468 Q469 L470 | L450-L466 HydrophobicContact CD2-CD1 4.12Å; L450-L466 HydrophobicContact CG-CD1 4.25Å; A451-L466 HydrophobicContact CB-CB 4.05Å; A451-L466 HydrophobicContact CB-CD1 4.05Å; L454-L466 HydrophobicContact CD1-CD1 3.6Å; S462-L466 PolarHBondContact O-N 2.83Å; S462-L466 VanDerWaalsContact O-N 3.16Å; A463-L466 PolarHBondContact O-N 3.33Å; L464-L466 VanDerWaalsContact C-N 3.34Å; L464-L466 PolarHBondContact O-N 3.21Å; L466-Q468 VanDerWaalsContact C-N 3.29Å; L466-Q468 PolarHBondContact O-N 2.99Å; L466-Q469 PolarHBondContact O-N 3.36Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 3.18Å |
| 467 | Y | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 178 | -70 | -45.3 | 0 | 0 | 0 | 113.2 | K448 A451 S452 I455 A463 L464 L470 Q471 L472 D475 | K448-Y467 HydrophobicContact CB-CE1 4.43Å; K448-Y467 HydrophobicContact CG-CE1 4.08Å; K448-Y467 PolarHBondContact O-OH 3.21Å; A451-Y467 HydrophobicContact CB-CD1 4.08Å; A451-Y467 HydrophobicContact CB-CD2 4.39Å; A451-Y467 HydrophobicContact CB-CE1 3.53Å; A451-Y467 HydrophobicContact CB-CE2 3.9Å; A451-Y467 HydrophobicContact CB-CG 4.46Å; A451-Y467 VanDerWaalsContact CB-CZ 3.42Å; S452-Y467 PolarHBondContact N-OH 3.05Å; I455-Y467 HydrophobicContact CD1-CE2 3.9Å; A463-Y467 HydrophobicContact CB-CE2 4.45Å; A463-Y467 VanDerWaalsContact O-CD2 3.3Å; A463-Y467 WeakPolarHBondContact O-CD2 3.41Å; A463-Y467 PolarHBondContact O-N 3.36Å; L464-Y467 PolarHBondContact O-N 3.33Å; Y467-L470 CarbonylContact O-C 3.51Å; Y467-L470 PolarHBondContact O-N 2.9Å; Y467-Q471 PolarHBondContact O-N 2.83Å; Y467-L472 HydrophobicContact CD1-CB 4.15Å; Y467-L472 HydrophobicContact CD1-CD1 4.11Å; Y467-L472 HydrophobicContact CE1-CD1 4.46Å; Y467-L472 PolarHBondContact O-N 3.38Å; Y467-D475 HydrophobicContact CD1-CB 3.61Å; Y467-D475 HydrophobicContact CD2-CB 3.69Å; Y467-D475 HydrophobicContact CE1-CB 3.63Å; Y467-D475 HydrophobicContact CE2-CB 3.68Å; Y467-D475 HydrophobicContact CG-CB 3.67Å |
| 468 | Q | 93.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 173.2 | -73.5 | 173.9 | -6.4 | 0 | 0 | 112.3 | L464 L465 L466 L470 Q471 W473 Y480 | L464-Q468 HydrophobicContact CD1-CG 4.39Å; L464-Q468 WeakPolarHBondContact O-CG 2.98Å; L464-Q468 PolarHBondContact O-N 3.22Å; L465-Q468 PolarHBondContact O-N 3.29Å; L466-Q468 VanDerWaalsContact C-N 3.29Å; L466-Q468 PolarHBondContact O-N 2.99Å; Q468-L470 PolarHBondContact O-N 3.25Å; Q468-Q471 PolarHBondContact O-N 3.4Å; Q468-Q471 VanDerWaalsContact O-N 3.09Å; Q468-W473 HydrophobicContact CG-CZ3 4.33Å; Q468-Y480 PolarHBondContact NE2-OH 3.01Å |
| 469 | Q | 93.6 | Very high | 93.7 | Very high | 139 Ų | 139 | 44.3 Ų | 44.3 | 65% | 0.65 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.9 | -37 | 175.6 | -73.3 | 174.2 | -6.7 | 0 | 0 | 111.8 | L156 L465 L466 Q471 | L156-Q469 WeakPolarHBondContact CD1-O 3.26Å; L465-Q469 VanDerWaalsContact O-CG 3.32Å; L465-Q469 WeakPolarHBondContact O-CG 3.43Å; L465-Q469 PolarHBondContact O-N 2.65Å; L466-Q469 PolarHBondContact O-N 3.36Å; Q469-Q471 VanDerWaalsContact C-N 3.3Å |
| 470 | L | 92.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.8 | 176.9 | -61 | 174 | 0 | 0 | 0 | 113.9 | Y154 L156 W444 Q447 L466 Y467 Q468 L472 | Y154-L470 PolarHBondContact OH-O 3.36Å; L156-L470 WeakPolarHBondContact CD1-O 3.31Å; W444-L470 HydrophobicContact CB-CD2 4.29Å; Q447-L470 HydrophobicContact CB-CD1 3.76Å; Q447-L470 HydrophobicContact CB-CD2 4.23Å; Q447-L470 VanDerWaalsContact OE1-CD2 3.23Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 3.18Å; Y467-L470 CarbonylContact O-C 3.51Å; Y467-L470 PolarHBondContact O-N 2.9Å; Q468-L470 PolarHBondContact O-N 3.25Å; L470-L472 HydrophobicContact CB-CB 4.46Å; L470-L472 HydrophobicContact CB-CD1 3.93Å; L470-L472 HydrophobicContact CB-CG 3.85Å; L470-L472 HydrophobicContact CD1-CD1 3.91Å; L470-L472 PolarHBondContact O-N 3.4Å; L470-L472 VanDerWaalsContact O-N 3.11Å |
| 471 | Q | 92.7 | Very high | 93.5 | Very high | 78 Ų | 78 | 45.3 Ų | 45.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 29.1 | -172.5 | -61.6 | 179.3 | 1.6 | 0 | 0 | 113.7 | S155 L156 Y467 Q468 Q469 W473 | S155-Q471 PolarHBondContact OG-OE1 2.96Å; L156-Q471 HydrophobicContact CD1-CB 4.2Å; L156-Q471 HydrophobicContact CD1-CG 4Å; L156-Q471 HydrophobicContact CG-CG 4.37Å; Y467-Q471 PolarHBondContact O-N 2.83Å; Q468-Q471 PolarHBondContact O-N 3.4Å; Q468-Q471 VanDerWaalsContact O-N 3.09Å; Q469-Q471 VanDerWaalsContact C-N 3.3Å; Q471-W473 VanDerWaalsContact C-N 3.26Å; Q471-W473 HydrophobicContact CB-CZ2 4.36Å; Q471-W473 HydrophobicContact CG-CZ2 4.15Å; Q471-W473 PolarHBondContact O-N 3.48Å; Q471-W473 PolarHBondContact O-NE1 3.39Å |
| 472 | L | 92.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -85.5 | 72.8 | 174.7 | -67.7 | 175.5 | 0 | 0 | 0 | 109.1 | Y154 K448 Y467 L470 E474 D475 A476 | Y154-L472 HydrophobicContact CD2-CD2 4.42Å; Y154-L472 HydrophobicContact CE2-CD2 3.92Å; Y154-L472 HydrophobicContact CE2-CG 4.47Å; K448-L472 HydrophobicContact CB-CD1 4.15Å; K448-L472 HydrophobicContact CD-CD1 4.04Å; K448-L472 HydrophobicContact CG-CD1 4.43Å; Y467-L472 HydrophobicContact CD1-CB 4.15Å; Y467-L472 HydrophobicContact CD1-CD1 4.11Å; Y467-L472 HydrophobicContact CE1-CD1 4.46Å; Y467-L472 PolarHBondContact O-N 3.38Å; L470-L472 HydrophobicContact CB-CB 4.46Å; L470-L472 HydrophobicContact CB-CD1 3.93Å; L470-L472 HydrophobicContact CB-CG 3.85Å; L470-L472 HydrophobicContact CD1-CD1 3.91Å; L470-L472 PolarHBondContact O-N 3.4Å; L470-L472 VanDerWaalsContact O-N 3.11Å; L472-E474 VanDerWaalsContact C-N 3.29Å; L472-E474 PolarHBondContact O-N 3.28Å; L472-D475 HydrophobicContact CB-CB 4.5Å; L472-D475 PolarHBondContact O-N 3.19Å; L472-A476 PolarHBondContact O-N 3.34Å | ||
| 473 | W | 92.2 | Very high | 93.3 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 16% | 0.159 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -31.7 | -169.6 | -59.4 | 110.4 | 0 | 0 | 0 | 113.7 | Q468 Q471 A476 V477 I492 E496 L505 L508 | Q468-W473 HydrophobicContact CG-CZ3 4.33Å; Q471-W473 VanDerWaalsContact C-N 3.26Å; Q471-W473 HydrophobicContact CB-CZ2 4.36Å; Q471-W473 HydrophobicContact CG-CZ2 4.15Å; Q471-W473 PolarHBondContact O-N 3.48Å; Q471-W473 PolarHBondContact O-NE1 3.39Å; W473-A476 PolarHBondContact O-N 2.98Å; W473-V477 WeakPolarHBondContact O-CB 3.34Å; W473-V477 WeakPolarHBondContact O-CG2 3.35Å; W473-V477 PolarHBondContact O-N 2.91Å; W473-I492 HydrophobicContact CE3-CG2 4.01Å; W473-I492 HydrophobicContact CH2-CG2 4.38Å; W473-I492 HydrophobicContact CZ3-CG2 3.55Å; W473-E496 HydrophobicContact CD2-CG 4.44Å; W473-E496 HydrophobicContact CH2-CG 3.65Å; W473-E496 HydrophobicContact CZ2-CG 3.52Å; W473-E496 HydrophobicContact CZ3-CG 4.18Å; W473-L505 HydrophobicContact CB-CD2 4.35Å; W473-L505 HydrophobicContact CG-CD2 4.02Å; W473-L508 HydrophobicContact CB-CD2 3.46Å; W473-L508 VanDerWaalsContact CB-CD2 3.46Å |
| 474 | E | 90.6 | Very high | 93 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 173.3 | -74.7 | 167.8 | -137.9 | 0 | 0 | 112.1 | L472 A476 V477 V478 L508 R532 | L472-E474 VanDerWaalsContact C-N 3.29Å; L472-E474 PolarHBondContact O-N 3.28Å; E474-A476 VanDerWaalsContact C-N 3.29Å; E474-A476 PolarHBondContact O-N 3.4Å; E474-V477 PolarHBondContact O-N 3.36Å; E474-V478 WeakPolarHBondContact O-CG2 3.43Å; E474-V478 PolarHBondContact O-N 2.94Å; E474-L508 HydrophobicContact CG-CD1 3.99Å; E474-R532 VanDerWaalsContact CD-NH2 3.29Å; E474-R532 IonicContact OE1-CZ 2.91Å; E474-R532 IonicContact OE1-NH1 3.44Å; E474-R532 PolarHBondContact OE1-NH1 2.86Å; E474-R532 IonicContact OE1-NH2 3.06Å; E474-R532 PolarHBondContact OE1-NH2 2.85Å |
| 475 | D | 93.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -35.3 | -180 | -60.6 | -69.5 | 0 | 0 | 0 | 110.6 | K448 Y467 L472 V478 C479 | K448-D475 WeakPolarHBondContact CE-OD2 3.01Å; K448-D475 VanDerWaalsContact NZ-CG 3.29Å; K448-D475 IonicContact NZ-OD1 3.67Å; K448-D475 PolarHBondContact NZ-OD1 3.08Å; K448-D475 VanDerWaalsContact NZ-OD1 3.09Å; K448-D475 IonicContact NZ-OD2 2.95Å; K448-D475 PolarHBondContact NZ-OD2 3.06Å; Y467-D475 HydrophobicContact CD1-CB 3.61Å; Y467-D475 HydrophobicContact CD2-CB 3.69Å; Y467-D475 HydrophobicContact CE1-CB 3.63Å; Y467-D475 HydrophobicContact CE2-CB 3.68Å; Y467-D475 HydrophobicContact CG-CB 3.67Å; L472-D475 HydrophobicContact CB-CB 4.5Å; L472-D475 PolarHBondContact O-N 3.19Å; D475-V478 PolarHBondContact O-N 3.18Å; D475-C479 PolarHBondContact O-N 3.39Å; D475-C479 PolarHBondContact O-SG 3.38Å |
| 476 | A | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L464 L472 W473 E474 C479 Y480 | L464-A476 HydrophobicContact CD1-CB 3.96Å; L472-A476 PolarHBondContact O-N 3.34Å; W473-A476 PolarHBondContact O-N 2.98Å; E474-A476 VanDerWaalsContact C-N 3.29Å; E474-A476 PolarHBondContact O-N 3.4Å; A476-C479 WeakPolarHBondContact O-CB 3.43Å; A476-C479 PolarHBondContact O-N 3.4Å; A476-Y480 VanDerWaalsContact O-CD2 3.23Å; A476-Y480 WeakPolarHBondContact O-CD2 3.34Å; A476-Y480 PolarHBondContact O-N 3.07Å |
| 477 | V | 92.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.4 | 167.7 | 0 | 0 | 0 | 0 | 110.2 | W473 E474 C479 Y480 E481 A489 V493 L508 I512 | W473-V477 WeakPolarHBondContact O-CB 3.34Å; W473-V477 WeakPolarHBondContact O-CG2 3.35Å; W473-V477 PolarHBondContact O-N 2.91Å; E474-V477 PolarHBondContact O-N 3.36Å; V477-C479 VanDerWaalsContact C-N 3.26Å; V477-C479 PolarHBondContact O-N 2.84Å; V477-Y480 WeakPolarHBondContact O-CA 3.47Å; V477-Y480 WeakPolarHBondContact O-CB 3.39Å; V477-Y480 PolarHBondContact O-N 3.02Å; V477-E481 HydrophobicContact CG1-CG 4.44Å; V477-E481 WeakPolarHBondContact O-CG 3.42Å; V477-E481 PolarHBondContact O-N 3.15Å; V477-A489 HydrophobicContact CG1-CB 4.34Å; V477-A489 HydrophobicContact CG2-CB 4.35Å; V477-V493 HydrophobicContact CG2-CG2 4.12Å; V477-L508 HydrophobicContact CB-CD1 4.35Å; V477-L508 HydrophobicContact CG2-CD1 4.07Å; V477-L508 HydrophobicContact CG2-CD2 3.95Å; V477-L508 HydrophobicContact CG2-CG 4.17Å; V477-I512 HydrophobicContact CG1-CD1 3.95Å; V477-I512 HydrophobicContact CG1-CG1 3.79Å; V477-I512 HydrophobicContact CG2-CD1 3.82Å |
| 478 | V | 92 | Very high | 92.1 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 39% | 0.394 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | E474 D475 E481 K482 | E474-V478 WeakPolarHBondContact O-CG2 3.43Å; E474-V478 PolarHBondContact O-N 2.94Å; D475-V478 PolarHBondContact O-N 3.18Å; V478-E481 PolarHBondContact O-N 3.01Å; V478-K482 HydrophobicContact CG1-CD 4.46Å; V478-K482 WeakPolarHBondContact O-CG 3.36Å; V478-K482 PolarHBondContact O-N 3.23Å |
| 479 | C | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 172.4 | -75.6 | 0 | 0 | 0 | 0 | 112.6 | I460 L464 D475 A476 V477 K482 L483 | I460-C479 HydrophobicContact CG2-CB 4.08Å; L464-C479 HydrophobicContact CB-CB 4.02Å; L464-C479 HydrophobicContact CD1-CB 3.86Å; L464-C479 HydrophobicContact CG-CB 4.47Å; D475-C479 PolarHBondContact O-N 3.39Å; D475-C479 PolarHBondContact O-SG 3.38Å; A476-C479 WeakPolarHBondContact O-CB 3.43Å; A476-C479 PolarHBondContact O-N 3.4Å; V477-C479 VanDerWaalsContact C-N 3.26Å; V477-C479 PolarHBondContact O-N 2.84Å; C479-K482 PolarHBondContact O-N 2.74Å; C479-L483 VanDerWaalsContact O-CG 3.31Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 3.08Å |
| 480 | Y | 93.7 | Very high | 91.9 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.7 | -79.9 | -59.4 | 0 | 0 | 0 | 112.9 | L464 Q468 A476 V477 L483 G484 Q485 K488 A489 I492 | L464-Y480 HydrophobicContact CD1-CD2 3.96Å; L464-Y480 HydrophobicContact CD1-CE1 4.36Å; L464-Y480 HydrophobicContact CD1-CE2 3.62Å; L464-Y480 HydrophobicContact CD1-CG 4.46Å; L464-Y480 HydrophobicContact CD2-CD1 4.12Å; L464-Y480 HydrophobicContact CD2-CE1 3.54Å; L464-Y480 HydrophobicContact CD2-CE2 4.28Å; Q468-Y480 PolarHBondContact NE2-OH 3.01Å; A476-Y480 VanDerWaalsContact O-CD2 3.23Å; A476-Y480 WeakPolarHBondContact O-CD2 3.34Å; A476-Y480 PolarHBondContact O-N 3.07Å; V477-Y480 WeakPolarHBondContact O-CA 3.47Å; V477-Y480 WeakPolarHBondContact O-CB 3.39Å; V477-Y480 PolarHBondContact O-N 3.02Å; Y480-L483 CarbonylContact O-C 3.57Å; Y480-L483 PolarHBondContact O-N 2.84Å; Y480-G484 PolarHBondContact O-N 2.72Å; Y480-G484 VanDerWaalsContact O-N 3.12Å; Y480-Q485 HydrophobicContact CD1-CB 4.06Å; Y480-Q485 PolarHBondContact O-N 3.05Å; Y480-K488 HydrophobicContact CD1-CB 4.4Å; Y480-K488 HydrophobicContact CE1-CB 4.32Å; Y480-A489 HydrophobicContact CD2-CB 4.15Å; Y480-A489 HydrophobicContact CG-CB 4.19Å; Y480-I492 HydrophobicContact CD2-CD1 4.48Å; Y480-I492 HydrophobicContact CE1-CD1 4.35Å; Y480-I492 HydrophobicContact CE2-CD1 3.36Å; Y480-I492 WeakPolarHBondContact OH-CD1 3.32Å |
| 481 | E | 90.7 | Very high | 91.8 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.2 | -68 | -175.9 | 156.6 | 0 | 0 | 111.4 | V477 V478 L483 G484 | V477-E481 HydrophobicContact CG1-CG 4.44Å; V477-E481 WeakPolarHBondContact O-CG 3.42Å; V477-E481 PolarHBondContact O-N 3.15Å; V478-E481 PolarHBondContact O-N 3.01Å; E481-L483 PolarHBondContact O-N 2.69Å; E481-G484 PolarHBondContact O-N 2.81Å |
| 482 | K | 91.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 54 Ų | 54 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -28.3 | 174.7 | -74 | -177.3 | 175.9 | -171.4 | 0 | 113.1 | I455 I460 V478 C479 G484 | I455-K482 HydrophobicContact CG2-CD 4.28Å; I460-K482 HydrophobicContact CD1-CB 4.19Å; V478-K482 HydrophobicContact CG1-CD 4.46Å; V478-K482 WeakPolarHBondContact O-CG 3.36Å; V478-K482 PolarHBondContact O-N 3.23Å; C479-K482 PolarHBondContact O-N 2.74Å; K482-G484 VanDerWaalsContact C-N 3.32Å |
| 483 | L | 92.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.9 | 173.6 | -67.5 | 172 | 0 | 0 | 0 | 113.4 | I460 L464 C479 Y480 E481 Q485 | I460-L483 HydrophobicContact CB-CD2 4.08Å; I460-L483 HydrophobicContact CB-CG 4.45Å; I460-L483 HydrophobicContact CD1-CD2 4.45Å; I460-L483 HydrophobicContact CG2-CD1 4.16Å; I460-L483 HydrophobicContact CG2-CD2 4.01Å; I460-L483 HydrophobicContact CG2-CG 3.82Å; L464-L483 HydrophobicContact CD2-CD1 4.18Å; C479-L483 VanDerWaalsContact O-CG 3.31Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 3.08Å; Y480-L483 CarbonylContact O-C 3.57Å; Y480-L483 PolarHBondContact O-N 2.84Å; E481-L483 PolarHBondContact O-N 2.69Å; L483-Q485 VanDerWaalsContact C-N 3.28Å; L483-Q485 HydrophobicContact CB-CG 4.23Å; L483-Q485 PolarHBondContact O-N 3.22Å |
| 484 | G | 90.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 54% | 0.536 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 18.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y480 E481 K482 | Y480-G484 PolarHBondContact O-N 2.72Å; Y480-G484 VanDerWaalsContact O-N 3.12Å; E481-G484 PolarHBondContact O-N 2.81Å; K482-G484 VanDerWaalsContact C-N 3.32Å |
| 485 | Q | 92.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | trans | -103.4 | 54 | -174.3 | -63.5 | -178.1 | 25.6 | 0 | 0 | 112.1 | Y480 L483 G487 K488 A489 | Y480-Q485 HydrophobicContact CD1-CB 4.06Å; Y480-Q485 PolarHBondContact O-N 3.05Å; L483-Q485 VanDerWaalsContact C-N 3.28Å; L483-Q485 HydrophobicContact CB-CG 4.23Å; L483-Q485 PolarHBondContact O-N 3.22Å; Q485-G487 PolarHBondContact O-N 3.44Å; Q485-K488 HydrophobicContact CB-CB 4.41Å; Q485-K488 HydrophobicContact CB-CD 4.41Å; Q485-K488 PolarHBondContact O-N 2.96Å; Q485-K488 VanDerWaalsContact OE1-CD 3.27Å; Q485-A489 PolarHBondContact O-N 3.37Å | ||
| 486 | H | 88.6 | Confident | 91.6 | Very high | 108 Ų | 108 | 56 Ų | 56 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | -175.5 | -59.2 | -71.7 | 0 | 0 | 0 | 113.9 | K488 A489 E490 | H486-K488 VanDerWaalsContact C-N 3.3Å; H486-K488 PolarHBondContact O-N 3.31Å; H486-A489 WeakPolarHBondContact O-CB 3.48Å; H486-A489 PolarHBondContact O-N 3.35Å; H486-A489 VanDerWaalsContact O-N 3.15Å; H486-E490 PolarHBondContact O-N 3.15Å |
| 487 | G | 90.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q485 E491 | Q485-G487 PolarHBondContact O-N 3.44Å; G487-E491 PolarHBondContact O-N 3.48Å |
| 488 | K | 90.3 | Very high | 91.4 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 45% | 0.452 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74 | -31.8 | 175.7 | -68.7 | -172.5 | -168.8 | 168.6 | 0 | 112.4 | Y480 Q485 H486 E490 E491 I492 | Y480-K488 HydrophobicContact CD1-CB 4.4Å; Y480-K488 HydrophobicContact CE1-CB 4.32Å; Q485-K488 HydrophobicContact CB-CB 4.41Å; Q485-K488 HydrophobicContact CB-CD 4.41Å; Q485-K488 PolarHBondContact O-N 2.96Å; Q485-K488 VanDerWaalsContact OE1-CD 3.27Å; H486-K488 VanDerWaalsContact C-N 3.3Å; H486-K488 PolarHBondContact O-N 3.31Å; K488-E490 VanDerWaalsContact C-N 3.32Å; K488-E491 PolarHBondContact O-N 2.8Å; K488-I492 WeakPolarHBondContact O-CG1 3.24Å; K488-I492 PolarHBondContact O-N 3.42Å |
| 489 | A | 90.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | V477 Y480 Q485 H486 V493 I512 | V477-A489 HydrophobicContact CG1-CB 4.34Å; V477-A489 HydrophobicContact CG2-CB 4.35Å; Y480-A489 HydrophobicContact CD2-CB 4.15Å; Y480-A489 HydrophobicContact CG-CB 4.19Å; Q485-A489 PolarHBondContact O-N 3.37Å; H486-A489 WeakPolarHBondContact O-CB 3.48Å; H486-A489 PolarHBondContact O-N 3.35Å; H486-A489 VanDerWaalsContact O-N 3.15Å; A489-V493 WeakPolarHBondContact O-CG2 3.35Å; A489-V493 PolarHBondContact O-N 3.48Å; A489-I512 HydrophobicContact CB-CD1 4.46Å |
| 490 | E | 92.4 | Very high | 90.7 | Very high | 54 Ų | 54 | 72.3 Ų | 72.3 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 174.9 | -174.2 | -170.1 | 167.3 | 0 | 0 | 112.1 | H486 K488 I492 V493 R494 L509 I512 L513 | H486-E490 PolarHBondContact O-N 3.15Å; K488-E490 VanDerWaalsContact C-N 3.32Å; E490-I492 VanDerWaalsContact C-N 3.28Å; E490-I492 PolarHBondContact O-N 3.22Å; E490-V493 PolarHBondContact O-N 2.98Å; E490-R494 HydrophobicContact CG-CG 4.45Å; E490-R494 WeakPolarHBondContact O-CG 3.38Å; E490-R494 PolarHBondContact O-N 3.32Å; E490-R494 IonicContact OE1-CZ 3.02Å; E490-R494 IonicContact OE1-NE 3.89Å; E490-R494 PolarHBondContact OE1-NE 3.22Å; E490-R494 IonicContact OE1-NH2 3.03Å; E490-R494 PolarHBondContact OE1-NH2 2.98Å; E490-L509 HydrophobicContact CG-CD1 3.96Å; E490-I512 HydrophobicContact CB-CG2 4.47Å; E490-L513 HydrophobicContact CG-CD2 4.35Å |
| 491 | E | 91.8 | Very high | 90.3 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.2 | -42.2 | -178 | -168.3 | -163.5 | 146.3 | 0 | 0 | 112.1 | G487 K488 R494 R495 | G487-E491 PolarHBondContact O-N 3.48Å; K488-E491 PolarHBondContact O-N 2.8Å; E491-R494 PolarHBondContact O-N 3.11Å; E491-R495 WeakPolarHBondContact O-CB 3.34Å; E491-R495 PolarHBondContact O-N 3.1Å; E491-R495 IonicContact OE1-CZ 3.01Å; E491-R495 IonicContact OE1-NH2 3.92Å; E491-R495 PolarHBondContact OE1-NH2 3.34Å |
| 492 | I | 90.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -44 | -179.7 | -72.4 | 165.9 | 0 | 0 | 0 | 111 | W473 Y480 K488 E490 R494 R495 E496 | W473-I492 HydrophobicContact CE3-CG2 4.01Å; W473-I492 HydrophobicContact CH2-CG2 4.38Å; W473-I492 HydrophobicContact CZ3-CG2 3.55Å; Y480-I492 HydrophobicContact CD2-CD1 4.48Å; Y480-I492 HydrophobicContact CE1-CD1 4.35Å; Y480-I492 HydrophobicContact CE2-CD1 3.36Å; Y480-I492 WeakPolarHBondContact OH-CD1 3.32Å; K488-I492 WeakPolarHBondContact O-CG1 3.24Å; K488-I492 PolarHBondContact O-N 3.42Å; E490-I492 VanDerWaalsContact C-N 3.28Å; E490-I492 PolarHBondContact O-N 3.22Å; I492-R494 VanDerWaalsContact C-N 3.3Å; I492-R494 PolarHBondContact O-N 3.35Å; I492-R495 WeakPolarHBondContact O-CB 3.39Å; I492-R495 PolarHBondContact O-N 3.22Å; I492-E496 WeakPolarHBondContact O-CG 3.41Å; I492-E496 PolarHBondContact O-N 2.7Å |
| 493 | V | 91.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | V477 A489 E490 E496 L497 L508 L509 I512 | V477-V493 HydrophobicContact CG2-CG2 4.12Å; A489-V493 WeakPolarHBondContact O-CG2 3.35Å; A489-V493 PolarHBondContact O-N 3.48Å; E490-V493 PolarHBondContact O-N 2.98Å; V493-E496 PolarHBondContact O-N 3.48Å; V493-L497 HydrophobicContact CG1-CD1 4.2Å; V493-L497 WeakPolarHBondContact O-CG 3.44Å; V493-L497 PolarHBondContact O-N 2.75Å; V493-L508 HydrophobicContact CG2-CD2 3.76Å; V493-L508 HydrophobicContact CG2-CG 4.16Å; V493-L509 HydrophobicContact CG1-CB 3.93Å; V493-L509 HydrophobicContact CG1-CD1 4.34Å; V493-I512 HydrophobicContact CG2-CD1 3.93Å |
| 494 | R | 92.8 | Very high | 89.9 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174 | -70.7 | -174.4 | -176.3 | -73.8 | -1.7 | 112.3 | E490 E491 I492 E496 L497 E498 L509 Y518 | E490-R494 HydrophobicContact CG-CG 4.45Å; E490-R494 WeakPolarHBondContact O-CG 3.38Å; E490-R494 PolarHBondContact O-N 3.32Å; E490-R494 IonicContact OE1-CZ 3.02Å; E490-R494 IonicContact OE1-NE 3.89Å; E490-R494 PolarHBondContact OE1-NE 3.22Å; E490-R494 IonicContact OE1-NH2 3.03Å; E490-R494 PolarHBondContact OE1-NH2 2.98Å; E491-R494 PolarHBondContact O-N 3.11Å; I492-R494 VanDerWaalsContact C-N 3.3Å; I492-R494 PolarHBondContact O-N 3.35Å; R494-E496 VanDerWaalsContact C-N 3.32Å; R494-E496 PolarHBondContact O-N 2.95Å; R494-L497 WeakPolarHBondContact O-CB 3.42Å; R494-L497 PolarHBondContact O-N 2.89Å; R494-E498 WeakPolarHBondContact O-CG 3.45Å; R494-E498 PolarHBondContact O-N 3.25Å; R494-L509 HydrophobicContact CG-CD1 4.36Å; R494-L509 HydrophobicContact CG-CD2 4.45Å; R494-Y518 PolarHBondContact NH2-OH 3.42Å |
| 495 | R | 92.3 | Very high | 89.9 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 176.5 | -170.9 | -171.8 | -58.1 | 178.2 | 1.3 | 112.5 | E491 I492 E498 K499 | E491-R495 WeakPolarHBondContact O-CB 3.34Å; E491-R495 PolarHBondContact O-N 3.1Å; E491-R495 IonicContact OE1-CZ 3.01Å; E491-R495 IonicContact OE1-NH2 3.92Å; E491-R495 PolarHBondContact OE1-NH2 3.34Å; I492-R495 WeakPolarHBondContact O-CB 3.39Å; I492-R495 PolarHBondContact O-N 3.22Å; R495-E498 PolarHBondContact O-N 3.3Å; R495-K499 PolarHBondContact O-N 2.98Å |
| 496 | E | 89.7 | Confident | 90 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.2 | -35.4 | 175.6 | -63.9 | -53.2 | 132.6 | 0 | 0 | 111.9 | W473 I492 V493 R494 E498 K499 K500 L505 | W473-E496 HydrophobicContact CD2-CG 4.44Å; W473-E496 HydrophobicContact CH2-CG 3.65Å; W473-E496 HydrophobicContact CZ2-CG 3.52Å; W473-E496 HydrophobicContact CZ3-CG 4.18Å; I492-E496 WeakPolarHBondContact O-CG 3.41Å; I492-E496 PolarHBondContact O-N 2.7Å; V493-E496 PolarHBondContact O-N 3.48Å; R494-E496 VanDerWaalsContact C-N 3.32Å; R494-E496 PolarHBondContact O-N 2.95Å; E496-E498 VanDerWaalsContact C-N 3.32Å; E496-E498 PolarHBondContact O-N 3.48Å; E496-K499 VanDerWaalsContact CD-NZ 3.32Å; E496-K499 WeakPolarHBondContact O-CB 3.29Å; E496-K499 PolarHBondContact O-N 2.75Å; E496-K499 IonicContact OE1-NZ 3.74Å; E496-K499 PolarHBondContact OE1-NZ 3.44Å; E496-K499 WeakPolarHBondContact OE2-CD 3.21Å; E496-K499 IonicContact OE2-NZ 2.87Å; E496-K499 PolarHBondContact OE2-NZ 3.21Å; E496-K500 PolarHBondContact O-N 3.24Å; E496-L505 HydrophobicContact CB-CD1 3.97Å; E496-L505 HydrophobicContact CB-CD2 4.47Å |
| 497 | L | 91.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 171.8 | -77.2 | 168.4 | 0 | 0 | 0 | 112.6 | V493 R494 K499 K500 E501 L505 Y506 L509 | V493-L497 HydrophobicContact CG1-CD1 4.2Å; V493-L497 WeakPolarHBondContact O-CG 3.44Å; V493-L497 PolarHBondContact O-N 2.75Å; R494-L497 WeakPolarHBondContact O-CB 3.42Å; R494-L497 PolarHBondContact O-N 2.89Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 3.41Å; L497-K500 CarbonylContact O-C 3.57Å; L497-K500 VanDerWaalsContact O-C 3.32Å; L497-K500 PolarHBondContact O-N 2.95Å; L497-E501 PolarHBondContact O-N 3.3Å; L497-L505 HydrophobicContact CD2-CB 3.5Å; L497-L505 HydrophobicContact CD2-CD1 4.29Å; L497-L505 HydrophobicContact CG-CB 3.92Å; L497-L505 HydrophobicContact CG-CD1 4.47Å; L497-Y506 HydrophobicContact CD1-CD1 4.1Å; L497-Y506 HydrophobicContact CD1-CE1 4.16Å; L497-Y506 HydrophobicContact CD2-CD1 4.13Å; L497-Y506 HydrophobicContact CD2-CD2 3.88Å; L497-Y506 HydrophobicContact CD2-CE1 4.17Å; L497-Y506 HydrophobicContact CD2-CE2 3.91Å; L497-Y506 HydrophobicContact CD2-CG 4Å; L497-L509 HydrophobicContact CD1-CB 4.43Å; L497-L509 HydrophobicContact CD1-CD2 3.72Å |
| 498 | E | 91.4 | Very high | 90.2 | Very high | 167 Ų | 167 | 56.7 Ų | 56.7 | 78% | 0.78 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -33.5 | 174.3 | -74.4 | 172.7 | -173.8 | 0 | 0 | 112.5 | R494 R495 E496 | R494-E498 WeakPolarHBondContact O-CG 3.45Å; R494-E498 PolarHBondContact O-N 3.25Å; R495-E498 PolarHBondContact O-N 3.3Å; E496-E498 VanDerWaalsContact C-N 3.32Å; E496-E498 PolarHBondContact O-N 3.48Å |
| 499 | K | 87.5 | Confident | 90.3 | Very high | 142 Ų | 142 | 51.8 Ų | 51.8 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -73.9 | -46.4 | 174.2 | -64.9 | 172.6 | -172.4 | 168.9 | 0 | 111.1 | R495 E496 L497 | R495-K499 PolarHBondContact O-N 2.98Å; E496-K499 VanDerWaalsContact CD-NZ 3.32Å; E496-K499 WeakPolarHBondContact O-CB 3.29Å; E496-K499 PolarHBondContact O-N 2.75Å; E496-K499 IonicContact OE1-NZ 3.74Å; E496-K499 PolarHBondContact OE1-NZ 3.44Å; E496-K499 WeakPolarHBondContact OE2-CD 3.21Å; E496-K499 IonicContact OE2-NZ 2.87Å; E496-K499 PolarHBondContact OE2-NZ 3.21Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 3.41Å |
| 500 | K | 82.9 | Confident | 90.4 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | trans | -154.4 | 119.8 | -177.4 | -173.1 | 176.6 | -179.9 | 172.1 | 0 | 111.8 | E140 E496 L497 T502 | E140-K500 IonicContact OE1-NZ 2.97Å; E140-K500 PolarHBondContact OE1-NZ 3.2Å; E140-K500 IonicContact OE2-NZ 3.82Å; E496-K500 PolarHBondContact O-N 3.24Å; L497-K500 CarbonylContact O-C 3.57Å; L497-K500 VanDerWaalsContact O-C 3.32Å; L497-K500 PolarHBondContact O-N 2.95Å; K500-T502 HydrophobicContact CD-CG2 4.11Å; K500-T502 HydrophobicContact CG-CG2 3.98Å; K500-T502 PolarHBondContact O-N 2.6Å | ||
| 501 | E | 86.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | trans | -70.4 | 116 | 170.6 | -68.6 | -169.8 | -144.1 | 0 | 0 | 110.4 | L497 Y506 R521 L525 | L497-E501 PolarHBondContact O-N 3.3Å; E501-Y506 HydrophobicContact CB-CE2 4.07Å; E501-Y506 HydrophobicContact CG-CE2 4.11Å; E501-Y506 PolarHBondContact OE2-OH 3.43Å; E501-R521 IonicContact OE2-CZ 3.91Å; E501-R521 IonicContact OE2-NE 3.37Å; E501-R521 IonicContact OE2-NH2 3.69Å; E501-R521 PolarHBondContact OE2-NH2 3.23Å; E501-R521 VanDerWaalsContact OE2-NH2 3.13Å; E501-L525 HydrophobicContact CB-CD2 4.01Å | ||
| 502 | T | 87.1 | Confident | 90.3 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | trans | -127.1 | 146.3 | 171.1 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | K500 S504 L505 Y506 | K500-T502 HydrophobicContact CD-CG2 4.11Å; K500-T502 HydrophobicContact CG-CG2 3.98Å; K500-T502 PolarHBondContact O-N 2.6Å; T502-S504 VanDerWaalsContact C-N 3.26Å; T502-S504 PolarHBondContact O-N 3.33Å; T502-S504 PolarHBondContact OG1-OG 3.01Å; T502-L505 PolarHBondContact O-N 2.85Å; T502-L505 WeakPolarHBondContact OG1-CB 3.36Å; T502-L505 WeakPolarHBondContact OG1-CD1 3.48Å; T502-L505 WeakPolarHBondContact OG1-CG 3.43Å; T502-L505 PolarHBondContact OG1-N 3.38Å; T502-Y506 WeakPolarHBondContact O-CD2 3.4Å; T502-Y506 PolarHBondContact O-N 2.99Å | ||
| 503 | P | 89.1 | Confident | 90.3 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 23% | 0.234 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -37.7 | 176.8 | -26.6 | 35.5 | 0 | 0 | 0 | 113.1 | Y506 C507 A522 L525 | P503-Y506 PolarHBondContact O-N 3.46Å; P503-C507 PolarHBondContact O-N 3.36Å; P503-C507 PolarHBondContact O-SG 3.49Å; P503-A522 HydrophobicContact CB-CB 4.27Å; P503-A522 WeakPolarHBondContact O-CB 3.49Å; P503-L525 HydrophobicContact CG-CD2 4.16Å; P503-L525 HydrophobicContact CG-CG 4.32Å |
| 504 | S | 88.3 | Confident | 90.3 | Very high | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | -180 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | T502 C507 L508 | T502-S504 VanDerWaalsContact C-N 3.26Å; T502-S504 PolarHBondContact O-N 3.33Å; T502-S504 PolarHBondContact OG1-OG 3.01Å; S504-C507 WeakPolarHBondContact O-CB 3.43Å; S504-C507 PolarHBondContact O-N 2.89Å; S504-L508 PolarHBondContact O-N 3.45Å |
| 505 | L | 91.1 | Very high | 90.2 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 176.7 | -72.3 | 174.7 | 0 | 0 | 0 | 112.3 | W473 E496 L497 T502 L508 L509 | W473-L505 HydrophobicContact CB-CD2 4.35Å; W473-L505 HydrophobicContact CG-CD2 4.02Å; E496-L505 HydrophobicContact CB-CD1 3.97Å; E496-L505 HydrophobicContact CB-CD2 4.47Å; L497-L505 HydrophobicContact CD2-CB 3.5Å; L497-L505 HydrophobicContact CD2-CD1 4.29Å; L497-L505 HydrophobicContact CG-CB 3.92Å; L497-L505 HydrophobicContact CG-CD1 4.47Å; T502-L505 PolarHBondContact O-N 2.85Å; T502-L505 WeakPolarHBondContact OG1-CB 3.36Å; T502-L505 WeakPolarHBondContact OG1-CD1 3.48Å; T502-L505 WeakPolarHBondContact OG1-CG 3.43Å; T502-L505 PolarHBondContact OG1-N 3.38Å; L505-L508 PolarHBondContact O-N 2.91Å; L505-L509 PolarHBondContact O-N 3.35Å |
| 506 | Y | 93.8 | Very high | 90.2 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 172.6 | -82 | -63.7 | 0 | 0 | 0 | 112.1 | L497 E501 T502 P503 L508 L509 G510 Y518 R521 L525 | L497-Y506 HydrophobicContact CD1-CD1 4.1Å; L497-Y506 HydrophobicContact CD1-CE1 4.16Å; L497-Y506 HydrophobicContact CD2-CD1 4.13Å; L497-Y506 HydrophobicContact CD2-CD2 3.88Å; L497-Y506 HydrophobicContact CD2-CE1 4.17Å; L497-Y506 HydrophobicContact CD2-CE2 3.91Å; L497-Y506 HydrophobicContact CD2-CG 4Å; E501-Y506 HydrophobicContact CB-CE2 4.07Å; E501-Y506 HydrophobicContact CG-CE2 4.11Å; E501-Y506 PolarHBondContact OE2-OH 3.43Å; T502-Y506 WeakPolarHBondContact O-CD2 3.4Å; T502-Y506 PolarHBondContact O-N 2.99Å; P503-Y506 PolarHBondContact O-N 3.46Å; Y506-L508 VanDerWaalsContact C-N 3.34Å; Y506-L509 PolarHBondContact O-N 3.15Å; Y506-G510 PolarHBondContact O-N 3.23Å; Y506-Y518 HydrophobicContact CD1-CD1 4.08Å; Y506-Y518 WeakPolarHBondContact O-CB 3.39Å; Y506-R521 HydrophobicContact CD1-CG 4.18Å; Y506-R521 HydrophobicContact CD2-CG 4.2Å; Y506-R521 HydrophobicContact CE1-CG 3.91Å; Y506-R521 HydrophobicContact CE2-CG 3.93Å; Y506-R521 HydrophobicContact CG-CG 4.31Å; Y506-L525 HydrophobicContact CD2-CD2 4.03Å; Y506-L525 HydrophobicContact CE2-CD2 3.99Å |
| 507 | C | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 172.2 | -64.1 | 0 | 0 | 0 | 0 | 111 | P503 S504 L509 G510 D511 Y519 R532 A533 | P503-C507 PolarHBondContact O-N 3.36Å; P503-C507 PolarHBondContact O-SG 3.49Å; S504-C507 WeakPolarHBondContact O-CB 3.43Å; S504-C507 PolarHBondContact O-N 2.89Å; C507-L509 VanDerWaalsContact C-N 3.34Å; C507-L509 PolarHBondContact O-N 2.93Å; C507-G510 CarbonylContact O-C 3.59Å; C507-G510 WeakPolarHBondContact O-CA 3.16Å; C507-G510 PolarHBondContact O-N 3.07Å; C507-G510 VanDerWaalsContact O-N 3.15Å; C507-D511 PolarHBondContact O-N 2.58Å; C507-Y519 HydrophobicContact CB-CD1 4.34Å; C507-Y519 HydrophobicContact CB-CE1 4.37Å; C507-Y519 VanDerWaalsContact O-CE1 3.3Å; C507-Y519 WeakPolarHBondContact O-CE1 3.46Å; C507-R532 HydrophobicContact CB-CG 4.46Å; C507-A533 WeakPolarHBondContact SG-CA 3.37Å |
| 508 | L | 91.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.1 | -176.4 | 61.7 | 0 | 0 | 0 | 112.2 | W473 E474 V477 V493 S504 L505 Y506 G510 D511 I512 | W473-L508 HydrophobicContact CB-CD2 3.46Å; W473-L508 VanDerWaalsContact CB-CD2 3.46Å; E474-L508 HydrophobicContact CG-CD1 3.99Å; V477-L508 HydrophobicContact CB-CD1 4.35Å; V477-L508 HydrophobicContact CG2-CD1 4.07Å; V477-L508 HydrophobicContact CG2-CD2 3.95Å; V477-L508 HydrophobicContact CG2-CG 4.17Å; V493-L508 HydrophobicContact CG2-CD2 3.76Å; V493-L508 HydrophobicContact CG2-CG 4.16Å; S504-L508 PolarHBondContact O-N 3.45Å; L505-L508 PolarHBondContact O-N 2.91Å; Y506-L508 VanDerWaalsContact C-N 3.34Å; L508-G510 VanDerWaalsContact C-N 3.33Å; L508-D511 WeakPolarHBondContact O-CB 3.48Å; L508-D511 PolarHBondContact O-N 2.95Å; L508-I512 HydrophobicContact CG-CD1 4.38Å; L508-I512 WeakPolarHBondContact O-CG1 3.29Å; L508-I512 PolarHBondContact O-N 3.21Å |
| 509 | L | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.8 | -173.2 | 60.5 | 0 | 0 | 0 | 111.7 | E490 V493 R494 L497 L505 Y506 C507 D511 I512 L513 Y518 | E490-L509 HydrophobicContact CG-CD1 3.96Å; V493-L509 HydrophobicContact CG1-CB 3.93Å; V493-L509 HydrophobicContact CG1-CD1 4.34Å; R494-L509 HydrophobicContact CG-CD1 4.36Å; R494-L509 HydrophobicContact CG-CD2 4.45Å; L497-L509 HydrophobicContact CD1-CB 4.43Å; L497-L509 HydrophobicContact CD1-CD2 3.72Å; L505-L509 PolarHBondContact O-N 3.35Å; Y506-L509 PolarHBondContact O-N 3.15Å; C507-L509 VanDerWaalsContact C-N 3.34Å; C507-L509 PolarHBondContact O-N 2.93Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 3.28Å; L509-I512 PolarHBondContact O-N 3.37Å; L509-L513 HydrophobicContact CD1-CD1 3.73Å; L509-L513 HydrophobicContact CD1-CG 4.2Å; L509-L513 HydrophobicContact CG-CD1 3.95Å; L509-L513 WeakPolarHBondContact O-CB 3.4Å; L509-L513 PolarHBondContact O-N 3.42Å; L509-Y518 HydrophobicContact CD2-CD1 3.64Å; L509-Y518 HydrophobicContact CD2-CE1 3.41Å; L509-Y518 VanDerWaalsContact CD2-CE1 3.41Å; L509-Y518 HydrophobicContact CD2-CE2 4.46Å; L509-Y518 HydrophobicContact CD2-CG 4.25Å; L509-Y518 HydrophobicContact CG-CD1 4.17Å; L509-Y518 HydrophobicContact CG-CD2 4.36Å; L509-Y518 HydrophobicContact CG-CE1 4.13Å; L509-Y518 HydrophobicContact CG-CE2 4.35Å; L509-Y518 HydrophobicContact CG-CG 4.27Å |
| 510 | G | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y506 C507 L508 N514 E515 Y519 | Y506-G510 PolarHBondContact O-N 3.23Å; C507-G510 CarbonylContact O-C 3.59Å; C507-G510 WeakPolarHBondContact O-CA 3.16Å; C507-G510 PolarHBondContact O-N 3.07Å; C507-G510 VanDerWaalsContact O-N 3.15Å; L508-G510 VanDerWaalsContact C-N 3.33Å; G510-N514 WeakPolarHBondContact O-CA 3.36Å; G510-N514 PolarHBondContact O-N 3.48Å; G510-E515 PolarHBondContact O-N 3.31Å; G510-Y519 PolarHBondContact O-OH 3.04Å |
| 511 | D | 90.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.6 | -62.5 | -28 | 0 | 0 | 0 | 111.7 | C507 L508 L509 Y519 S536 | C507-D511 PolarHBondContact O-N 2.58Å; L508-D511 WeakPolarHBondContact O-CB 3.48Å; L508-D511 PolarHBondContact O-N 2.95Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 3.28Å; D511-Y519 WeakPolarHBondContact CA-OH 3.45Å; D511-Y519 PolarHBondContact N-OH 2.77Å; D511-Y519 WeakPolarHBondContact OD1-CE1 3.3Å; D511-Y519 PolarHBondContact OD1-OH 2.94Å; D511-S536 WeakPolarHBondContact OD1-CB 3.37Å |
| 512 | I | 89.9 | Confident | 91.9 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.6 | -49.9 | 177 | -65.1 | 164.7 | 0 | 0 | 0 | 111.2 | V477 A489 E490 V493 L508 L509 | V477-I512 HydrophobicContact CG1-CD1 3.95Å; V477-I512 HydrophobicContact CG1-CG1 3.79Å; V477-I512 HydrophobicContact CG2-CD1 3.82Å; A489-I512 HydrophobicContact CB-CD1 4.46Å; E490-I512 HydrophobicContact CB-CG2 4.47Å; V493-I512 HydrophobicContact CG2-CD1 3.93Å; L508-I512 HydrophobicContact CG-CD1 4.38Å; L508-I512 WeakPolarHBondContact O-CG1 3.29Å; L508-I512 PolarHBondContact O-N 3.21Å; L509-I512 PolarHBondContact O-N 3.37Å |
| 513 | L | 91.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.3 | -15.6 | -173.5 | -64.9 | 176.5 | 0 | 0 | 0 | 113.2 | E490 L509 E515 Y518 | E490-L513 HydrophobicContact CG-CD2 4.35Å; L509-L513 HydrophobicContact CD1-CD1 3.73Å; L509-L513 HydrophobicContact CD1-CG 4.2Å; L509-L513 HydrophobicContact CG-CD1 3.95Å; L509-L513 WeakPolarHBondContact O-CB 3.4Å; L509-L513 PolarHBondContact O-N 3.42Å; L513-E515 VanDerWaalsContact C-N 3.3Å; L513-E515 HydrophobicContact CB-CB 4.39Å; L513-E515 HydrophobicContact CB-CG 4.16Å; L513-E515 PolarHBondContact O-N 3.33Å; L513-Y518 HydrophobicContact CB-CE2 4.37Å; L513-Y518 HydrophobicContact CD1-CD2 4.34Å; L513-Y518 HydrophobicContact CD1-CE2 3.46Å; L513-Y518 VanDerWaalsContact CD1-CE2 3.46Å |
| 514 | N | 90.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 41.9 | -172.5 | -62.7 | -78.9 | 0 | 0 | 0 | 112.4 | G510 L540 R543 | G510-N514 WeakPolarHBondContact O-CA 3.36Å; G510-N514 PolarHBondContact O-N 3.48Å; N514-L540 HydrophobicContact CB-CD1 3.76Å; N514-L540 WeakPolarHBondContact O-CD2 3.42Å; N514-R543 PolarHBondContact OD1-NH1 3.35Å |
| 515 | E | 92.5 | Very high | 92.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | trans | -116.5 | 129 | -177.9 | -73.7 | -178.3 | -162.5 | 0 | 0 | 112.5 | G510 L513 Q517 Y518 | G510-E515 PolarHBondContact O-N 3.31Å; L513-E515 VanDerWaalsContact C-N 3.3Å; L513-E515 HydrophobicContact CB-CB 4.39Å; L513-E515 HydrophobicContact CB-CG 4.16Å; L513-E515 PolarHBondContact O-N 3.33Å; E515-Q517 VanDerWaalsContact C-N 3.3Å; E515-Q517 PolarHBondContact O-N 3.47Å; E515-Y518 HydrophobicContact CB-CD2 3.84Å; E515-Y518 HydrophobicContact CB-CE2 3.93Å; E515-Y518 WeakPolarHBondContact OE2-CE2 3.46Å | ||
| 516 | H | 91.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.7 | -28 | -175.7 | -58.8 | 85.2 | 0 | 0 | 0 | 114.2 | Y518 Y519 D520 L540 H541 | H516-Y518 VanDerWaalsContact C-N 3.28Å; H516-Y518 PolarHBondContact O-N 2.93Å; H516-Y519 PolarHBondContact O-N 2.93Å; H516-Y519 VanDerWaalsContact O-N 3.15Å; H516-D520 PolarHBondContact O-N 3.15Å; H516-L540 VanDerWaalsContact CE1-CD2 3.49Å; H516-L540 WeakPolarHBondContact CE1-CD2 3.41Å; H516-L540 WeakPolarHBondContact NE2-CD2 3.31Å; H516-H541 AromaticContact CD2-CD2 3.93Å; H516-H541 AromaticContact CD2-CE1 3.38Å; H516-H541 PolarHBondContact CD2-CE1 3.5Å; H516-H541 AromaticContact CD2-ND1 3.99Å; H516-H541 AromaticContact CD2-NE2 3.34Å; H516-H541 PolarHBondContact CD2-NE2 3.36Å; H516-H541 VanDerWaalsContact CD2-NE2 3.34Å; H516-H541 AromaticContact NE2-CD2 3.95Å; H516-H541 AromaticContact NE2-CE1 3.17Å; H516-H541 PolarHBondContact NE2-CE1 2.93Å; H516-H541 AromaticContact NE2-CG 3.84Å; H516-H541 AromaticContact NE2-ND1 3.36Å; H516-H541 PolarHBondContact NE2-ND1 3.2Å; H516-H541 AromaticContact NE2-NE2 3.57Å |
| 517 | Q | 93.8 | Very high | 92 | Very high | 145 Ų | 145 | 47 Ų | 47 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.3 | -35.6 | -173.3 | -60.7 | 178.7 | 22.2 | 0 | 0 | 112.4 | E515 D520 R521 | E515-Q517 VanDerWaalsContact C-N 3.3Å; E515-Q517 PolarHBondContact O-N 3.47Å; Q517-D520 PolarHBondContact O-N 3.38Å; Q517-R521 PolarHBondContact O-N 3.38Å |
| 518 | Y | 94.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71 | -33.2 | 179.6 | -60.8 | -70.6 | 0 | 0 | 0 | 112.3 | R494 Y506 L509 L513 E515 H516 R521 A522 | R494-Y518 PolarHBondContact NH2-OH 3.42Å; Y506-Y518 HydrophobicContact CD1-CD1 4.08Å; Y506-Y518 WeakPolarHBondContact O-CB 3.39Å; L509-Y518 HydrophobicContact CD2-CD1 3.64Å; L509-Y518 HydrophobicContact CD2-CE1 3.41Å; L509-Y518 VanDerWaalsContact CD2-CE1 3.41Å; L509-Y518 HydrophobicContact CD2-CE2 4.46Å; L509-Y518 HydrophobicContact CD2-CG 4.25Å; L509-Y518 HydrophobicContact CG-CD1 4.17Å; L509-Y518 HydrophobicContact CG-CD2 4.36Å; L509-Y518 HydrophobicContact CG-CE1 4.13Å; L509-Y518 HydrophobicContact CG-CE2 4.35Å; L509-Y518 HydrophobicContact CG-CG 4.27Å; L513-Y518 HydrophobicContact CB-CE2 4.37Å; L513-Y518 HydrophobicContact CD1-CD2 4.34Å; L513-Y518 HydrophobicContact CD1-CE2 3.46Å; L513-Y518 VanDerWaalsContact CD1-CE2 3.46Å; E515-Y518 HydrophobicContact CB-CD2 3.84Å; E515-Y518 HydrophobicContact CB-CE2 3.93Å; E515-Y518 WeakPolarHBondContact OE2-CE2 3.46Å; H516-Y518 VanDerWaalsContact C-N 3.28Å; H516-Y518 PolarHBondContact O-N 2.93Å; Y518-R521 PolarHBondContact O-N 3.18Å; Y518-A522 WeakPolarHBondContact O-CB 3.38Å; Y518-A522 PolarHBondContact O-N 3.18Å |
| 519 | Y | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 173.3 | -54.7 | -56.6 | 0 | 0 | 0 | 111.9 | C507 G510 D511 H516 R521 A522 W523 K537 L540 | C507-Y519 HydrophobicContact CB-CD1 4.34Å; C507-Y519 HydrophobicContact CB-CE1 4.37Å; C507-Y519 VanDerWaalsContact O-CE1 3.3Å; C507-Y519 WeakPolarHBondContact O-CE1 3.46Å; G510-Y519 PolarHBondContact O-OH 3.04Å; D511-Y519 WeakPolarHBondContact CA-OH 3.45Å; D511-Y519 PolarHBondContact N-OH 2.77Å; D511-Y519 WeakPolarHBondContact OD1-CE1 3.3Å; D511-Y519 PolarHBondContact OD1-OH 2.94Å; H516-Y519 PolarHBondContact O-N 2.93Å; H516-Y519 VanDerWaalsContact O-N 3.15Å; Y519-R521 VanDerWaalsContact C-N 3.34Å; Y519-A522 PolarHBondContact O-N 3.42Å; Y519-W523 VanDerWaalsContact O-CB 3.29Å; Y519-W523 WeakPolarHBondContact O-CB 3.47Å; Y519-W523 PolarHBondContact O-N 3.29Å; Y519-K537 HydrophobicContact CD2-CB 3.77Å; Y519-K537 HydrophobicContact CD2-CG 4.08Å; Y519-K537 HydrophobicContact CG-CB 3.92Å; Y519-L540 HydrophobicContact CE2-CB 4.2Å; Y519-L540 HydrophobicContact CE2-CD2 3.79Å |
| 520 | D | 93.9 | Very high | 91.7 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.9 | -71.6 | -38.1 | 0 | 0 | 0 | 111.2 | H516 Q517 W523 E524 K537 | H516-D520 PolarHBondContact O-N 3.15Å; Q517-D520 PolarHBondContact O-N 3.38Å; D520-W523 WeakPolarHBondContact O-CB 3.29Å; D520-W523 PolarHBondContact O-N 3.31Å; D520-E524 WeakPolarHBondContact O-CG 3.43Å; D520-E524 PolarHBondContact O-N 3.34Å; D520-K537 IonicContact OD1-NZ 3.13Å; D520-K537 PolarHBondContact OD1-NZ 3.17Å; D520-K537 IonicContact OD2-NZ 3.94Å; D520-K537 PolarHBondContact OD2-NZ 3.36Å; D520-K537 VanDerWaalsContact OD2-NZ 3.07Å |
| 521 | R | 93.9 | Very high | 91.6 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.2 | -177.4 | 59.5 | 179.1 | 179.7 | 1.9 | 112.3 | E501 Y506 Q517 Y518 Y519 W523 E524 L525 | E501-R521 IonicContact OE2-CZ 3.91Å; E501-R521 IonicContact OE2-NE 3.37Å; E501-R521 IonicContact OE2-NH2 3.69Å; E501-R521 PolarHBondContact OE2-NH2 3.23Å; E501-R521 VanDerWaalsContact OE2-NH2 3.13Å; Y506-R521 HydrophobicContact CD1-CG 4.18Å; Y506-R521 HydrophobicContact CD2-CG 4.2Å; Y506-R521 HydrophobicContact CE1-CG 3.91Å; Y506-R521 HydrophobicContact CE2-CG 3.93Å; Y506-R521 HydrophobicContact CG-CG 4.31Å; Q517-R521 PolarHBondContact O-N 3.38Å; Y518-R521 PolarHBondContact O-N 3.18Å; Y519-R521 VanDerWaalsContact C-N 3.34Å; R521-W523 VanDerWaalsContact C-N 3.29Å; R521-W523 PolarHBondContact O-N 2.68Å; R521-E524 PolarHBondContact O-N 2.9Å; R521-L525 VanDerWaalsContact O-CB 3.27Å; R521-L525 WeakPolarHBondContact O-CB 3.24Å; R521-L525 PolarHBondContact O-N 3.43Å |
| 522 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P503 Y518 Y519 S526 A533 | P503-A522 HydrophobicContact CB-CB 4.27Å; P503-A522 WeakPolarHBondContact O-CB 3.49Å; Y518-A522 WeakPolarHBondContact O-CB 3.38Å; Y518-A522 PolarHBondContact O-N 3.18Å; Y519-A522 PolarHBondContact O-N 3.42Å; A522-S526 WeakPolarHBondContact O-CB 3.38Å; A522-S526 PolarHBondContact O-N 3.29Å; A522-S526 PolarHBondContact O-OG 3.3Å; A522-A533 HydrophobicContact CB-CB 3.96Å |
| 523 | W | 93.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 178.4 | -179.8 | -124.2 | 0 | 0 | 0 | 111.9 | Y519 D520 R521 S526 R528 S530 A533 M534 I560 | Y519-W523 VanDerWaalsContact O-CB 3.29Å; Y519-W523 WeakPolarHBondContact O-CB 3.47Å; Y519-W523 PolarHBondContact O-N 3.29Å; D520-W523 WeakPolarHBondContact O-CB 3.29Å; D520-W523 PolarHBondContact O-N 3.31Å; R521-W523 VanDerWaalsContact C-N 3.29Å; R521-W523 PolarHBondContact O-N 2.68Å; W523-S526 PolarHBondContact O-N 3.11Å; W523-S526 PolarHBondContact O-OG 3.31Å; W523-R528 HydrophobicContact CD2-CB 4.18Å; W523-R528 HydrophobicContact CD2-CG 4.3Å; W523-R528 HydrophobicContact CH2-CB 3.86Å; W523-R528 WeakPolarHBondContact CH2-O 3.46Å; W523-R528 HydrophobicContact CZ2-CB 3.4Å; W523-R528 VanDerWaalsContact CZ2-CB 3.4Å; W523-R528 HydrophobicContact CZ2-CG 4.01Å; W523-R528 HydrophobicContact CZ3-CB 4.42Å; W523-R528 WeakPolarHBondContact O-CA 3.18Å; W523-R528 PolarHBondContact O-N 3.32Å; W523-S530 VanDerWaalsContact CZ3-O 3.28Å; W523-S530 WeakPolarHBondContact CZ3-O 3.49Å; W523-A533 HydrophobicContact CB-CB 4.39Å; W523-M534 HydrophobicContact CD2-CG 3.96Å; W523-M534 HydrophobicContact CD2-SD 3.87Å; W523-M534 HydrophobicContact CE3-CG 3.71Å; W523-M534 HydrophobicContact CE3-SD 4.22Å; W523-M534 HydrophobicContact CG-SD 4.05Å; W523-M534 HydrophobicContact CH2-CG 4.06Å; W523-M534 HydrophobicContact CZ2-CG 4.27Å; W523-M534 HydrophobicContact CZ3-CG 3.77Å; W523-I560 HydrophobicContact CH2-CD1 3.31Å; W523-I560 HydrophobicContact CH2-CG1 4.35Å; W523-I560 HydrophobicContact CZ3-CD1 3.28Å |
| 524 | E | 93.6 | Very high | 92 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.5 | -71.6 | -179.9 | 170.9 | 0 | 0 | 112.3 | D520 R521 S526 G527 | D520-E524 WeakPolarHBondContact O-CG 3.43Å; D520-E524 PolarHBondContact O-N 3.34Å; R521-E524 PolarHBondContact O-N 2.9Å; E524-S526 VanDerWaalsContact C-N 3.25Å; E524-S526 PolarHBondContact O-N 2.98Å; E524-G527 PolarHBondContact O-N 3.48Å |
| 525 | L | 90.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 179.3 | -176.1 | 67.2 | 0 | 0 | 0 | 112.1 | E501 P503 Y506 R521 G527 | E501-L525 HydrophobicContact CB-CD2 4.01Å; P503-L525 HydrophobicContact CG-CD2 4.16Å; P503-L525 HydrophobicContact CG-CG 4.32Å; Y506-L525 HydrophobicContact CD2-CD2 4.03Å; Y506-L525 HydrophobicContact CE2-CD2 3.99Å; R521-L525 VanDerWaalsContact O-CB 3.27Å; R521-L525 WeakPolarHBondContact O-CB 3.24Å; R521-L525 PolarHBondContact O-N 3.43Å; L525-G527 PolarHBondContact O-N 2.92Å |
| 526 | S | 86.6 | Confident | 92.3 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.2 | 175.9 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | A522 W523 E524 R528 R529 S530 | A522-S526 WeakPolarHBondContact O-CB 3.38Å; A522-S526 PolarHBondContact O-N 3.29Å; A522-S526 PolarHBondContact O-OG 3.3Å; W523-S526 PolarHBondContact O-N 3.11Å; W523-S526 PolarHBondContact O-OG 3.31Å; E524-S526 VanDerWaalsContact C-N 3.25Å; E524-S526 PolarHBondContact O-N 2.98Å; S526-R528 VanDerWaalsContact C-N 3.32Å; S526-R528 PolarHBondContact OG-N 3Å; S526-R529 PolarHBondContact O-NE 3.35Å; S526-R529 PolarHBondContact OG-N 3.41Å; S526-R529 VanDerWaalsContact OG-N 3.11Å; S526-S530 WeakPolarHBondContact OG-CB 3.45Å; S526-S530 PolarHBondContact OG-N 3.26Å |
| 527 | G | 88.6 | Confident | 92.5 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 46% | 0.464 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 36.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E524 L525 | E524-G527 PolarHBondContact O-N 3.48Å; L525-G527 PolarHBondContact O-N 2.92Å |
| 528 | R | 90.5 | Very high | 92.6 | Very high | 167 Ų | 167 | 46.4 Ų | 46.4 | 63% | 0.63 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 62.1 | 40.3 | -179.2 | -54.7 | -172.5 | 179.7 | -145.4 | -3.6 | 113.9 | W523 S526 | W523-R528 HydrophobicContact CD2-CB 4.18Å; W523-R528 HydrophobicContact CD2-CG 4.3Å; W523-R528 HydrophobicContact CH2-CB 3.86Å; W523-R528 WeakPolarHBondContact CH2-O 3.46Å; W523-R528 HydrophobicContact CZ2-CB 3.4Å; W523-R528 VanDerWaalsContact CZ2-CB 3.4Å; W523-R528 HydrophobicContact CZ2-CG 4.01Å; W523-R528 HydrophobicContact CZ3-CB 4.42Å; W523-R528 WeakPolarHBondContact O-CA 3.18Å; W523-R528 PolarHBondContact O-N 3.32Å; S526-R528 VanDerWaalsContact C-N 3.32Å; S526-R528 PolarHBondContact OG-N 3Å |
| 529 | R | 88.8 | Confident | 92.6 | Very high | 172 Ų | 172 | 47.3 Ų | 47.3 | 65% | 0.649 | 22% | 0.218 | S | C | * | . | trans | -123.9 | -6.4 | -178.8 | -68.7 | -178.9 | -74.2 | 177.8 | -5 | 113.8 | G150 S526 A531 I560 | G150-R529 WeakPolarHBondContact CA-O 3.18Å; S526-R529 PolarHBondContact O-NE 3.35Å; S526-R529 PolarHBondContact OG-N 3.41Å; S526-R529 VanDerWaalsContact OG-N 3.11Å; R529-A531 PolarHBondContact O-N 3.02Å; R529-I560 WeakPolarHBondContact O-CG2 3.25Å | ||
| 530 | S | 90.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -80.8 | 106.5 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | W523 S526 R532 A533 | W523-S530 VanDerWaalsContact CZ3-O 3.28Å; W523-S530 WeakPolarHBondContact CZ3-O 3.49Å; S526-S530 WeakPolarHBondContact OG-CB 3.45Å; S526-S530 PolarHBondContact OG-N 3.26Å; S530-R532 VanDerWaalsContact C-N 3.29Å; S530-R532 PolarHBondContact O-N 3.44Å; S530-A533 PolarHBondContact O-N 3.16Å; S530-A533 PolarHBondContact OG-N 2.93Å | ||
| 531 | A | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R529 A533 M534 R535 S557 I560 N561 | R529-A531 PolarHBondContact O-N 3.02Å; A531-A533 PolarHBondContact O-N 3.45Å; A531-M534 PolarHBondContact O-N 2.98Å; A531-R535 WeakPolarHBondContact O-CB 3.16Å; A531-R535 PolarHBondContact O-N 3.01Å; A531-S557 PolarHBondContact O-OG 3.4Å; A531-I560 HydrophobicContact CB-CB 4.17Å; A531-I560 HydrophobicContact CB-CG2 4.1Å; A531-N561 HydrophobicContact CB-CB 4.17Å |
| 532 | R | 91.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.7 | -45.8 | 177.3 | 179.7 | -179.5 | 172.6 | 160.2 | 4.3 | 113.4 | E199 E474 C507 S530 M534 R535 S536 | E199-R532 IonicContact OE1-NH1 3.28Å; E199-R532 PolarHBondContact OE1-NH1 3.45Å; E199-R532 IonicContact OE2-NH1 3.74Å; E474-R532 VanDerWaalsContact CD-NH2 3.29Å; E474-R532 IonicContact OE1-CZ 2.91Å; E474-R532 IonicContact OE1-NH1 3.44Å; E474-R532 PolarHBondContact OE1-NH1 2.86Å; E474-R532 IonicContact OE1-NH2 3.06Å; E474-R532 PolarHBondContact OE1-NH2 2.85Å; C507-R532 HydrophobicContact CB-CG 4.46Å; S530-R532 VanDerWaalsContact C-N 3.29Å; S530-R532 PolarHBondContact O-N 3.44Å; R532-M534 PolarHBondContact O-N 3Å; R532-R535 PolarHBondContact O-N 3.42Å; R532-S536 PolarHBondContact O-N 3.45Å; R532-S536 PolarHBondContact O-OG 3.25Å |
| 533 | A | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C507 A522 W523 S530 A531 S536 K537 | C507-A533 WeakPolarHBondContact SG-CA 3.37Å; A522-A533 HydrophobicContact CB-CB 3.96Å; W523-A533 HydrophobicContact CB-CB 4.39Å; S530-A533 PolarHBondContact O-N 3.16Å; S530-A533 PolarHBondContact OG-N 2.93Å; A531-A533 PolarHBondContact O-N 3.45Å; A533-S536 PolarHBondContact O-N 3.32Å; A533-K537 WeakPolarHBondContact O-CB 3.44Å; A533-K537 PolarHBondContact O-N 3Å |
| 534 | M | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 178.6 | -66.8 | -52.8 | -53.5 | 0 | 0 | 112.3 | W523 A531 R532 A538 C553 Q556 | W523-M534 HydrophobicContact CD2-CG 3.96Å; W523-M534 HydrophobicContact CD2-SD 3.87Å; W523-M534 HydrophobicContact CE3-CG 3.71Å; W523-M534 HydrophobicContact CE3-SD 4.22Å; W523-M534 HydrophobicContact CG-SD 4.05Å; W523-M534 HydrophobicContact CH2-CG 4.06Å; W523-M534 HydrophobicContact CZ2-CG 4.27Å; W523-M534 HydrophobicContact CZ3-CG 3.77Å; A531-M534 PolarHBondContact O-N 2.98Å; R532-M534 PolarHBondContact O-N 3Å; M534-A538 VanDerWaalsContact O-CB 3.29Å; M534-A538 WeakPolarHBondContact O-CB 3.25Å; M534-A538 PolarHBondContact O-N 3.44Å; M534-C553 HydrophobicContact CE-CB 3.62Å; M534-C553 VanDerWaalsContact CE-SG 3.51Å; M534-Q556 HydrophobicContact CB-CB 4.42Å; M534-Q556 HydrophobicContact CE-CB 3.99Å; M534-Q556 HydrophobicContact CE-CG 4.45Å; M534-Q556 HydrophobicContact CG-CB 4.11Å |
| 535 | R | 94.7 | Very high | 92.8 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 173.3 | 178.5 | 178.2 | 74.4 | -160.8 | 7.7 | 112.2 | A531 R532 A538 L539 F554 V567 | A531-R535 WeakPolarHBondContact O-CB 3.16Å; A531-R535 PolarHBondContact O-N 3.01Å; R532-R535 PolarHBondContact O-N 3.42Å; R535-A538 WeakPolarHBondContact O-CB 3.39Å; R535-A538 PolarHBondContact O-N 2.91Å; R535-L539 HydrophobicContact CG-CD1 4.23Å; R535-L539 WeakPolarHBondContact O-CG 3.38Å; R535-L539 PolarHBondContact O-N 3.11Å; R535-F554 HydrophobicContact CG-CE1 4.37Å; R535-V567 HydrophobicContact CB-CG2 4.39Å; R535-V567 HydrophobicContact CG-CG2 3.62Å |
| 536 | S | 94.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179.5 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | D511 R532 A533 A538 L539 L540 | D511-S536 WeakPolarHBondContact OD1-CB 3.37Å; R532-S536 PolarHBondContact O-N 3.45Å; R532-S536 PolarHBondContact O-OG 3.25Å; A533-S536 PolarHBondContact O-N 3.32Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 2.85Å; S536-L539 PolarHBondContact O-N 3Å; S536-L540 PolarHBondContact O-N 2.76Å |
| 537 | K | 95.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -44 | 172.8 | -170.5 | 174.7 | 178.1 | 173.2 | 0 | 112.5 | Y519 D520 A533 L540 H541 | Y519-K537 HydrophobicContact CD2-CB 3.77Å; Y519-K537 HydrophobicContact CD2-CG 4.08Å; Y519-K537 HydrophobicContact CG-CB 3.92Å; D520-K537 IonicContact OD1-NZ 3.13Å; D520-K537 PolarHBondContact OD1-NZ 3.17Å; D520-K537 IonicContact OD2-NZ 3.94Å; D520-K537 PolarHBondContact OD2-NZ 3.36Å; D520-K537 VanDerWaalsContact OD2-NZ 3.07Å; A533-K537 WeakPolarHBondContact O-CB 3.44Å; A533-K537 PolarHBondContact O-N 3Å; K537-L540 PolarHBondContact O-N 3.2Å; K537-H541 PolarHBondContact O-CD2 3.28Å; K537-H541 PolarHBondContact O-N 3.03Å; K537-H541 VanDerWaalsContact O-N 3.08Å |
| 538 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M534 R535 S536 L540 H541 L542 C550 C553 F554 | M534-A538 VanDerWaalsContact O-CB 3.29Å; M534-A538 WeakPolarHBondContact O-CB 3.25Å; M534-A538 PolarHBondContact O-N 3.44Å; R535-A538 WeakPolarHBondContact O-CB 3.39Å; R535-A538 PolarHBondContact O-N 2.91Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 2.85Å; A538-L540 VanDerWaalsContact C-N 3.28Å; A538-L540 PolarHBondContact O-N 3.39Å; A538-H541 PolarHBondContact O-N 3.16Å; A538-L542 WeakPolarHBondContact O-CB 3.43Å; A538-L542 PolarHBondContact O-N 3.34Å; A538-C550 PolarHBondContact O-SG 3.5Å; A538-C553 HydrophobicContact CB-CB 3.55Å; A538-F554 HydrophobicContact CB-CB 4.38Å; A538-F554 HydrophobicContact CB-CD1 3.15Å; A538-F554 HydrophobicContact CB-CD2 4.02Å; A538-F554 HydrophobicContact CB-CE1 3.25Å; A538-F554 HydrophobicContact CB-CE2 4.11Å; A538-F554 HydrophobicContact CB-CG 3.57Å; A538-F554 HydrophobicContact CB-CZ 3.74Å |
| 539 | L | 95.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -36 | 175.7 | -71.8 | 169.8 | 0 | 0 | 0 | 111.9 | R535 S536 L542 R543 F554 | R535-L539 HydrophobicContact CG-CD1 4.23Å; R535-L539 WeakPolarHBondContact O-CG 3.38Å; R535-L539 PolarHBondContact O-N 3.11Å; S536-L539 PolarHBondContact O-N 3Å; L539-L542 HydrophobicContact CD2-CD2 4.45Å; L539-L542 WeakPolarHBondContact O-CB 3.5Å; L539-L542 PolarHBondContact O-N 3.35Å; L539-R543 WeakPolarHBondContact O-CG 3.36Å; L539-R543 PolarHBondContact O-N 3.31Å; L539-R543 VanDerWaalsContact O-N 3.09Å; L539-F554 HydrophobicContact CD2-CE1 4.33Å; L539-F554 HydrophobicContact CD2-CZ 3.94Å; L539-F554 HydrophobicContact CG-CE1 4.21Å; L539-F554 HydrophobicContact CG-CZ 4.22Å |
| 540 | L | 94.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 173.4 | -177.8 | 61.3 | 0 | 0 | 0 | 111.5 | N514 H516 Y519 S536 K537 A538 L542 R543 A544 | N514-L540 HydrophobicContact CB-CD1 3.76Å; N514-L540 WeakPolarHBondContact O-CD2 3.42Å; H516-L540 VanDerWaalsContact CE1-CD2 3.49Å; H516-L540 WeakPolarHBondContact CE1-CD2 3.41Å; H516-L540 WeakPolarHBondContact NE2-CD2 3.31Å; Y519-L540 HydrophobicContact CE2-CB 4.2Å; Y519-L540 HydrophobicContact CE2-CD2 3.79Å; S536-L540 PolarHBondContact O-N 2.76Å; K537-L540 PolarHBondContact O-N 3.2Å; A538-L540 VanDerWaalsContact C-N 3.28Å; A538-L540 PolarHBondContact O-N 3.39Å; L540-L542 VanDerWaalsContact C-N 3.27Å; L540-L542 PolarHBondContact O-N 3.07Å; L540-R543 WeakPolarHBondContact O-CB 3.34Å; L540-R543 PolarHBondContact O-N 3.47Å; L540-R543 VanDerWaalsContact O-N 3.16Å; L540-A544 PolarHBondContact O-N 3.1Å |
| 541 | H | 95.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -37 | 173.5 | -77.4 | -57.3 | 0 | 0 | 0 | 112.6 | H516 K537 A538 R543 A544 K545 D546 C550 | H516-H541 AromaticContact CD2-CD2 3.93Å; H516-H541 AromaticContact CD2-CE1 3.38Å; H516-H541 PolarHBondContact CD2-CE1 3.5Å; H516-H541 AromaticContact CD2-ND1 3.99Å; H516-H541 AromaticContact CD2-NE2 3.34Å; H516-H541 PolarHBondContact CD2-NE2 3.36Å; H516-H541 VanDerWaalsContact CD2-NE2 3.34Å; H516-H541 AromaticContact NE2-CD2 3.95Å; H516-H541 AromaticContact NE2-CE1 3.17Å; H516-H541 PolarHBondContact NE2-CE1 2.93Å; H516-H541 AromaticContact NE2-CG 3.84Å; H516-H541 AromaticContact NE2-ND1 3.36Å; H516-H541 PolarHBondContact NE2-ND1 3.2Å; H516-H541 AromaticContact NE2-NE2 3.57Å; K537-H541 PolarHBondContact O-CD2 3.28Å; K537-H541 PolarHBondContact O-N 3.03Å; K537-H541 VanDerWaalsContact O-N 3.08Å; A538-H541 PolarHBondContact O-N 3.16Å; H541-R543 VanDerWaalsContact C-N 3.34Å; H541-R543 PolarHBondContact O-N 2.83Å; H541-A544 CarbonylContact O-C 3.45Å; H541-A544 PolarHBondContact O-N 3.03Å; H541-K545 PolarHBondContact O-N 3.19Å; H541-D546 HydrophobicContact CB-CB 4.18Å; H541-D546 IonicContact ND1-OD2 3.4Å; H541-D546 PolarHBondContact O-N 3.49Å; H541-C550 HydrophobicContact CB-CB 3.88Å |
| 542 | L | 94.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.6 | -172.6 | 65.4 | 0 | 0 | 0 | 111.5 | A538 L539 L540 A544 K545 F547 A574 | A538-L542 WeakPolarHBondContact O-CB 3.43Å; A538-L542 PolarHBondContact O-N 3.34Å; L539-L542 HydrophobicContact CD2-CD2 4.45Å; L539-L542 WeakPolarHBondContact O-CB 3.5Å; L539-L542 PolarHBondContact O-N 3.35Å; L540-L542 VanDerWaalsContact C-N 3.27Å; L540-L542 PolarHBondContact O-N 3.07Å; L542-A544 VanDerWaalsContact C-N 3.35Å; L542-K545 PolarHBondContact O-N 3.5Å; L542-K545 VanDerWaalsContact O-N 3.17Å; L542-F547 HydrophobicContact CD1-CD1 4.1Å; L542-F547 HydrophobicContact CD1-CE1 4Å; L542-A574 HydrophobicContact CD1-CB 4.41Å |
| 543 | R | 93.4 | Very high | 95.4 | Very high | 179 Ų | 179 | 50.1 Ų | 50.1 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.1 | -38.2 | 174.2 | -68.7 | 173.7 | -175.7 | 173.3 | 1.9 | 111.9 | N514 L539 L540 H541 K545 | N514-R543 PolarHBondContact OD1-NH1 3.35Å; L539-R543 WeakPolarHBondContact O-CG 3.36Å; L539-R543 PolarHBondContact O-N 3.31Å; L539-R543 VanDerWaalsContact O-N 3.09Å; L540-R543 WeakPolarHBondContact O-CB 3.34Å; L540-R543 PolarHBondContact O-N 3.47Å; L540-R543 VanDerWaalsContact O-N 3.16Å; H541-R543 VanDerWaalsContact C-N 3.34Å; H541-R543 PolarHBondContact O-N 2.83Å; R543-K545 PolarHBondContact O-N 3.08Å |
| 544 | A | 93.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.1 | -10.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L540 H541 L542 D546 | L540-A544 PolarHBondContact O-N 3.1Å; H541-A544 CarbonylContact O-C 3.45Å; H541-A544 PolarHBondContact O-N 3.03Å; L542-A544 VanDerWaalsContact C-N 3.35Å; A544-D546 PolarHBondContact O-N 3.18Å |
| 545 | K | 94.4 | Very high | 95.6 | Very high | 154 Ų | 154 | 53 Ų | 53 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 21.9 | -172.8 | -53.4 | -178.9 | 179.6 | -179.6 | 0 | 114.2 | H541 L542 R543 F547 | H541-K545 PolarHBondContact O-N 3.19Å; L542-K545 PolarHBondContact O-N 3.5Å; L542-K545 VanDerWaalsContact O-N 3.17Å; R543-K545 PolarHBondContact O-N 3.08Å; K545-F547 VanDerWaalsContact C-N 3.26Å; K545-F547 HydrophobicContact CB-CE2 3.92Å; K545-F547 HydrophobicContact CB-CZ 3.86Å; K545-F547 HydrophobicContact CG-CZ 4.16Å; K545-F547 VanDerWaalsContact O-CD2 3.23Å; K545-F547 WeakPolarHBondContact O-CD2 3.34Å; K545-F547 WeakPolarHBondContact O-CE2 3.39Å; K545-F547 PolarHBondContact O-N 2.91Å |
| 546 | D | 95.7 | Very high | 95.7 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | trans | -82.1 | 72 | 172.1 | -69.3 | -31.7 | 0 | 0 | 0 | 109.6 | H541 A544 Q548 Q549 C550 | H541-D546 HydrophobicContact CB-CB 4.18Å; H541-D546 IonicContact ND1-OD2 3.4Å; H541-D546 PolarHBondContact O-N 3.49Å; A544-D546 PolarHBondContact O-N 3.18Å; D546-Q548 VanDerWaalsContact C-N 3.33Å; D546-Q548 PolarHBondContact O-N 2.97Å; D546-Q549 PolarHBondContact O-N 3.11Å; D546-C550 VanDerWaalsContact O-CB 3.29Å; D546-C550 WeakPolarHBondContact O-CB 3.44Å; D546-C550 PolarHBondContact O-N 2.9Å | ||
| 547 | F | 96.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | -167.1 | -59.9 | -66 | 0 | 0 | 0 | 113.9 | L542 K545 C550 V551 A577 L578 | L542-F547 HydrophobicContact CD1-CD1 4.1Å; L542-F547 HydrophobicContact CD1-CE1 4Å; K545-F547 VanDerWaalsContact C-N 3.26Å; K545-F547 HydrophobicContact CB-CE2 3.92Å; K545-F547 HydrophobicContact CB-CZ 3.86Å; K545-F547 HydrophobicContact CG-CZ 4.16Å; K545-F547 VanDerWaalsContact O-CD2 3.23Å; K545-F547 WeakPolarHBondContact O-CD2 3.34Å; K545-F547 WeakPolarHBondContact O-CE2 3.39Å; K545-F547 PolarHBondContact O-N 2.91Å; F547-C550 WeakPolarHBondContact O-CB 3.35Å; F547-C550 PolarHBondContact O-N 3.14Å; F547-V551 WeakPolarHBondContact O-CG2 3.31Å; F547-V551 PolarHBondContact O-N 3.48Å; F547-A577 HydrophobicContact CB-CB 4.44Å; F547-A577 HydrophobicContact CD1-CB 3.62Å; F547-A577 HydrophobicContact CD2-CB 3.61Å; F547-A577 HydrophobicContact CE1-CB 3.62Å; F547-A577 HydrophobicContact CE2-CB 3.61Å; F547-A577 HydrophobicContact CG-CB 3.62Å; F547-A577 HydrophobicContact CZ-CB 3.61Å; F547-L578 HydrophobicContact CB-CD1 4.1Å; F547-L578 HydrophobicContact CB-CD2 3.69Å; F547-L578 HydrophobicContact CB-CG 3.64Å |
| 548 | Q | 96.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -49.4 | 179.5 | -175.3 | 59.4 | 51.9 | 0 | 0 | 111.4 | D546 C550 V551 D552 | D546-Q548 VanDerWaalsContact C-N 3.33Å; D546-Q548 PolarHBondContact O-N 2.97Å; Q548-C550 VanDerWaalsContact C-N 3.27Å; Q548-C550 PolarHBondContact O-N 3.22Å; Q548-V551 PolarHBondContact O-N 2.9Å; Q548-D552 PolarHBondContact NE2-OD1 3.34Å; Q548-D552 VanDerWaalsContact O-CG 3.3Å; Q548-D552 PolarHBondContact O-N 3.39Å |
| 549 | Q | 95.8 | Very high | 95.6 | Very high | 90 Ų | 90 | 59 Ų | 59 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 177.4 | -65.1 | 81.8 | -7.2 | 0 | 0 | 111.2 | D546 D552 C553 | D546-Q549 PolarHBondContact O-N 3.11Å; Q549-D552 PolarHBondContact O-N 3.25Å; Q549-C553 WeakPolarHBondContact O-CB 3.45Å; Q549-C553 PolarHBondContact O-N 3.46Å; Q549-C553 PolarHBondContact O-SG 3.11Å |
| 550 | C | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 173 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | A538 H541 D546 F547 Q548 D552 C553 F554 | A538-C550 PolarHBondContact O-SG 3.5Å; H541-C550 HydrophobicContact CB-CB 3.88Å; D546-C550 VanDerWaalsContact O-CB 3.29Å; D546-C550 WeakPolarHBondContact O-CB 3.44Å; D546-C550 PolarHBondContact O-N 2.9Å; F547-C550 WeakPolarHBondContact O-CB 3.35Å; F547-C550 PolarHBondContact O-N 3.14Å; Q548-C550 VanDerWaalsContact C-N 3.27Å; Q548-C550 PolarHBondContact O-N 3.22Å; C550-D552 PolarHBondContact O-N 3.28Å; C550-C553 PolarHBondContact O-N 3.4Å; C550-F554 WeakPolarHBondContact O-CB 3.39Å; C550-F554 PolarHBondContact O-N 2.88Å; C550-F554 VanDerWaalsContact SG-CD2 3.53Å; C550-F554 WeakPolarHBondContact SG-CE2 3.4Å |
| 551 | V | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.9 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | F547 Q548 C553 F554 E555 L571 A574 Y575 L578 | F547-V551 WeakPolarHBondContact O-CG2 3.31Å; F547-V551 PolarHBondContact O-N 3.48Å; Q548-V551 PolarHBondContact O-N 2.9Å; V551-C553 VanDerWaalsContact C-N 3.28Å; V551-C553 PolarHBondContact O-N 3.49Å; V551-F554 PolarHBondContact O-N 3.31Å; V551-E555 HydrophobicContact CG1-CG 4.36Å; V551-E555 WeakPolarHBondContact O-CG 3.42Å; V551-E555 PolarHBondContact O-N 3.42Å; V551-L571 HydrophobicContact CB-CD1 4.2Å; V551-L571 HydrophobicContact CG1-CD1 4.05Å; V551-L571 HydrophobicContact CG2-CD1 4Å; V551-A574 HydrophobicContact CG2-CB 3.83Å; V551-Y575 HydrophobicContact CB-CE1 4.48Å; V551-Y575 HydrophobicContact CG1-CD1 4.25Å; V551-Y575 HydrophobicContact CG1-CE1 3.5Å; V551-Y575 VanDerWaalsContact CG1-CE1 3.5Å; V551-Y575 HydrophobicContact CG2-CD1 3.99Å; V551-Y575 HydrophobicContact CG2-CE1 4.09Å; V551-Y575 HydrophobicContact CG2-CG 4.4Å; V551-L578 HydrophobicContact CG2-CD1 3.83Å |
| 552 | D | 96.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | -178.3 | -63.3 | -20.7 | 0 | 0 | 0 | 111.7 | Q548 Q549 C550 Q556 | Q548-D552 PolarHBondContact NE2-OD1 3.34Å; Q548-D552 VanDerWaalsContact O-CG 3.3Å; Q548-D552 PolarHBondContact O-N 3.39Å; Q549-D552 PolarHBondContact O-N 3.25Å; C550-D552 PolarHBondContact O-N 3.28Å; D552-Q556 VanDerWaalsContact O-CG 3.3Å; D552-Q556 WeakPolarHBondContact O-CG 3.26Å; D552-Q556 PolarHBondContact O-N 3.17Å; D552-Q556 VanDerWaalsContact O-N 3.14Å |
| 553 | C | 96.9 | Very high | 95 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 178.9 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | M534 A538 Q549 C550 V551 Q556 S557 | M534-C553 HydrophobicContact CE-CB 3.62Å; M534-C553 VanDerWaalsContact CE-SG 3.51Å; A538-C553 HydrophobicContact CB-CB 3.55Å; Q549-C553 WeakPolarHBondContact O-CB 3.45Å; Q549-C553 PolarHBondContact O-N 3.46Å; Q549-C553 PolarHBondContact O-SG 3.11Å; C550-C553 PolarHBondContact O-N 3.4Å; V551-C553 VanDerWaalsContact C-N 3.28Å; V551-C553 PolarHBondContact O-N 3.49Å; C553-Q556 PolarHBondContact O-N 2.78Å; C553-S557 PolarHBondContact O-N 2.67Å |
| 554 | F | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 175.6 | -79.6 | -34.7 | 0 | 0 | 0 | 112.3 | R535 A538 L539 C550 V551 Q556 S557 L558 V567 L571 | R535-F554 HydrophobicContact CG-CE1 4.37Å; A538-F554 HydrophobicContact CB-CB 4.38Å; A538-F554 HydrophobicContact CB-CD1 3.15Å; A538-F554 HydrophobicContact CB-CD2 4.02Å; A538-F554 HydrophobicContact CB-CE1 3.25Å; A538-F554 HydrophobicContact CB-CE2 4.11Å; A538-F554 HydrophobicContact CB-CG 3.57Å; A538-F554 HydrophobicContact CB-CZ 3.74Å; L539-F554 HydrophobicContact CD2-CE1 4.33Å; L539-F554 HydrophobicContact CD2-CZ 3.94Å; L539-F554 HydrophobicContact CG-CE1 4.21Å; L539-F554 HydrophobicContact CG-CZ 4.22Å; C550-F554 WeakPolarHBondContact O-CB 3.39Å; C550-F554 PolarHBondContact O-N 2.88Å; C550-F554 VanDerWaalsContact SG-CD2 3.53Å; C550-F554 WeakPolarHBondContact SG-CE2 3.4Å; V551-F554 PolarHBondContact O-N 3.31Å; F554-Q556 VanDerWaalsContact C-N 3.3Å; F554-Q556 PolarHBondContact O-N 3.38Å; F554-S557 WeakPolarHBondContact O-CB 3.42Å; F554-S557 PolarHBondContact O-N 3.04Å; F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 WeakPolarHBondContact O-CG 3.41Å; F554-L558 PolarHBondContact O-N 3.44Å; F554-V567 HydrophobicContact CB-CG1 4.13Å; F554-V567 HydrophobicContact CD1-CG1 3.57Å; F554-V567 HydrophobicContact CE1-CG1 4.21Å; F554-V567 HydrophobicContact CG-CG1 4.02Å; F554-L571 HydrophobicContact CB-CB 4.2Å; F554-L571 HydrophobicContact CB-CD1 3.93Å; F554-L571 HydrophobicContact CB-CG 4.47Å; F554-L571 HydrophobicContact CD2-CB 4.08Å; F554-L571 HydrophobicContact CD2-CD1 4.37Å; F554-L571 HydrophobicContact CG-CB 4.42Å |
| 555 | E | 96.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.3 | -76 | -171.4 | -176.2 | 0 | 0 | 111.8 | V551 L558 K559 Y575 | V551-E555 HydrophobicContact CG1-CG 4.36Å; V551-E555 WeakPolarHBondContact O-CG 3.42Å; V551-E555 PolarHBondContact O-N 3.42Å; E555-L558 PolarHBondContact O-N 2.78Å; E555-K559 VanDerWaalsContact O-CG 3.28Å; E555-K559 WeakPolarHBondContact O-CG 3.47Å; E555-K559 PolarHBondContact O-N 3.32Å; E555-Y575 PolarHBondContact OE1-OH 3.48Å |
| 556 | Q | 95.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 35% | 0.346 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.1 | -73.2 | 177.9 | 28.3 | 0 | 0 | 112.3 | M534 D552 C553 F554 L558 K559 | M534-Q556 HydrophobicContact CB-CB 4.42Å; M534-Q556 HydrophobicContact CE-CB 3.99Å; M534-Q556 HydrophobicContact CE-CG 4.45Å; M534-Q556 HydrophobicContact CG-CB 4.11Å; D552-Q556 VanDerWaalsContact O-CG 3.3Å; D552-Q556 WeakPolarHBondContact O-CG 3.26Å; D552-Q556 PolarHBondContact O-N 3.17Å; D552-Q556 VanDerWaalsContact O-N 3.14Å; C553-Q556 PolarHBondContact O-N 2.78Å; F554-Q556 VanDerWaalsContact C-N 3.3Å; F554-Q556 PolarHBondContact O-N 3.38Å; Q556-L558 VanDerWaalsContact C-N 3.35Å; Q556-L558 PolarHBondContact O-N 2.94Å; Q556-K559 PolarHBondContact O-N 2.75Å |
| 557 | S | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | A531 C553 F554 K559 I560 N561 Q564 | A531-S557 PolarHBondContact O-OG 3.4Å; C553-S557 PolarHBondContact O-N 2.67Å; F554-S557 WeakPolarHBondContact O-CB 3.42Å; F554-S557 PolarHBondContact O-N 3.04Å; S557-K559 VanDerWaalsContact C-N 3.34Å; S557-K559 PolarHBondContact O-N 3.35Å; S557-I560 WeakPolarHBondContact O-CB 3.37Å; S557-I560 PolarHBondContact O-N 3.05Å; S557-I560 VanDerWaalsContact O-N 3.16Å; S557-N561 PolarHBondContact O-N 3.08Å; S557-N561 VanDerWaalsContact O-N 3.09Å; S557-Q564 PolarHBondContact O-NE2 3.17Å; S557-Q564 PolarHBondContact OG-NE2 3.09Å |
| 558 | L | 94.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.9 | -24.7 | -177.7 | -70.7 | 170.1 | 0 | 0 | 0 | 113.9 | F554 E555 Q556 I560 N561 T562 Q564 V567 W568 L571 | F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 WeakPolarHBondContact O-CG 3.41Å; F554-L558 PolarHBondContact O-N 3.44Å; E555-L558 PolarHBondContact O-N 2.78Å; Q556-L558 VanDerWaalsContact C-N 3.35Å; Q556-L558 PolarHBondContact O-N 2.94Å; L558-I560 PolarHBondContact O-N 2.99Å; L558-N561 WeakPolarHBondContact CA-O 3.48Å; L558-N561 CarbonylContact O-C 3.6Å; L558-T562 WeakPolarHBondContact O-CG2 3.49Å; L558-Q564 HydrophobicContact CD2-CB 4.16Å; L558-V567 HydrophobicContact CD1-CG1 3.97Å; L558-V567 HydrophobicContact CD2-CB 4.12Å; L558-V567 HydrophobicContact CD2-CG1 3.85Å; L558-V567 HydrophobicContact CG-CG1 3.71Å; L558-W568 HydrophobicContact CB-CZ2 4.41Å; L558-W568 HydrophobicContact CD1-CD2 3.75Å; L558-W568 HydrophobicContact CD1-CE3 3.64Å; L558-W568 HydrophobicContact CD1-CG 4.47Å; L558-W568 HydrophobicContact CD1-CH2 3.85Å; L558-W568 HydrophobicContact CD1-CZ2 3.95Å; L558-W568 HydrophobicContact CD1-CZ3 3.7Å; L558-W568 HydrophobicContact CD2-CD2 4.04Å; L558-W568 HydrophobicContact CD2-CG 4.25Å; L558-W568 HydrophobicContact CD2-CZ2 4.03Å; L558-W568 HydrophobicContact CG-CZ2 4.37Å; L558-L571 HydrophobicContact CD1-CD2 3.52Å |
| 559 | K | 94.6 | Very high | 94.6 | Very high | 160 Ų | 160 | 37.5 Ų | 37.5 | 70% | 0.696 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64 | -26.7 | 170.6 | -78.3 | 168.7 | -171.5 | 168.7 | 0 | 112.4 | E555 Q556 S557 | E555-K559 VanDerWaalsContact O-CG 3.28Å; E555-K559 WeakPolarHBondContact O-CG 3.47Å; E555-K559 PolarHBondContact O-N 3.32Å; Q556-K559 PolarHBondContact O-N 2.75Å; S557-K559 VanDerWaalsContact C-N 3.34Å; S557-K559 PolarHBondContact O-N 3.35Å |
| 560 | I | 92.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -87.6 | -54.3 | 178.5 | -58.8 | 168.7 | 0 | 0 | 0 | 110 | D149 W523 R529 A531 S557 L558 | D149-I560 WeakPolarHBondContact O-CG2 3.46Å; W523-I560 HydrophobicContact CH2-CD1 3.31Å; W523-I560 HydrophobicContact CH2-CG1 4.35Å; W523-I560 HydrophobicContact CZ3-CD1 3.28Å; R529-I560 WeakPolarHBondContact O-CG2 3.25Å; A531-I560 HydrophobicContact CB-CB 4.17Å; A531-I560 HydrophobicContact CB-CG2 4.1Å; S557-I560 WeakPolarHBondContact O-CB 3.37Å; S557-I560 PolarHBondContact O-N 3.05Å; S557-I560 VanDerWaalsContact O-N 3.16Å; L558-I560 PolarHBondContact O-N 2.99Å |
| 561 | N | 92.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -131.6 | 115.4 | 178.8 | -173.3 | -5.9 | 0 | 0 | 0 | 111 | E151 R201 A531 S557 L558 M563 Q564 | E151-N561 PolarHBondContact OE1-ND2 3.31Å; R201-N561 PolarHBondContact O-ND2 3Å; R201-N561 PolarHBondContact O-OD1 3.37Å; A531-N561 HydrophobicContact CB-CB 4.17Å; S557-N561 PolarHBondContact O-N 3.08Å; S557-N561 VanDerWaalsContact O-N 3.09Å; L558-N561 WeakPolarHBondContact CA-O 3.48Å; L558-N561 CarbonylContact O-C 3.6Å; N561-M563 PolarHBondContact OD1-N 3.07Å; N561-Q564 HydrophobicContact CB-CG 4.4Å; N561-Q564 PolarHBondContact O-NE2 3.18Å | ||
| 562 | T | 91.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -83.3 | -14.7 | -179 | 57 | 0 | 0 | 0 | 0 | 113.6 | L558 Q564 W568 | L558-T562 WeakPolarHBondContact O-CG2 3.49Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.1Å; T562-W568 PolarHBondContact O-NE1 2.9Å |
| 563 | M | 90.4 | Very high | 94.7 | Very high | 29 Ų | 29 | 33.2 Ų | 33.2 | 14% | 0.143 | 18% | 0.179 | C | C | . | . | trans | -87.9 | 40.5 | -175 | -70.5 | -73.7 | -174.7 | 0 | 0 | 112.7 | R201 P203 L206 N561 L594 | R201-M563 HydrophobicContact CB-CB 3.95Å; P203-M563 HydrophobicContact CG-CB 4.49Å; P203-M563 HydrophobicContact CG-CG 3.82Å; L206-M563 HydrophobicContact CD2-CE 3.41Å; L206-M563 VanDerWaalsContact CD2-CE 3.41Å; N561-M563 PolarHBondContact OD1-N 3.07Å; M563-L594 HydrophobicContact SD-CD2 3.63Å | ||
| 564 | Q | 90.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | trans | -114.9 | 82.9 | -177.2 | -62.3 | -173.9 | 77.9 | 0 | 0 | 111.3 | S557 L558 N561 T562 G566 V567 W568 | S557-Q564 PolarHBondContact O-NE2 3.17Å; S557-Q564 PolarHBondContact OG-NE2 3.09Å; L558-Q564 HydrophobicContact CD2-CB 4.16Å; N561-Q564 HydrophobicContact CB-CG 4.4Å; N561-Q564 PolarHBondContact O-NE2 3.18Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.1Å; Q564-G566 PolarHBondContact O-N 3.31Å; Q564-V567 HydrophobicContact CB-CB 3.8Å; Q564-V567 HydrophobicContact CB-CG2 3.7Å; Q564-V567 HydrophobicContact CG-CG2 4.45Å; Q564-V567 WeakPolarHBondContact O-CB 3.43Å; Q564-V567 PolarHBondContact O-N 3.2Å; Q564-V567 VanDerWaalsContact O-N 3.09Å; Q564-W568 PolarHBondContact O-N 3.32Å; Q564-W568 VanDerWaalsContact O-N 3.08Å | ||
| 565 | L | 91 | Very high | 94.7 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.5 | -51.6 | -177 | 176.9 | 66.1 | 0 | 0 | 0 | 113.3 | V567 W568 F569 C591 L594 E595 | L565-V567 PolarHBondContact O-N 3.12Å; L565-W568 PolarHBondContact O-N 2.98Å; L565-F569 PolarHBondContact O-N 3.43Å; L565-C591 HydrophobicContact CD1-CB 4.14Å; L565-L594 HydrophobicContact CB-CD1 4.4Å; L565-L594 HydrophobicContact CD1-CB 4.14Å; L565-L594 HydrophobicContact CD1-CD1 4.47Å; L565-E595 HydrophobicContact CD1-CB 4.15Å; L565-E595 HydrophobicContact CD2-CB 4.1Å; L565-E595 WeakPolarHBondContact CD2-OE2 3.36Å |
| 566 | G | 92.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 33 Ų | 33 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.3 | -27.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q564 S570 | Q564-G566 PolarHBondContact O-N 3.31Å; G566-S570 WeakPolarHBondContact O-CB 3.43Å; G566-S570 PolarHBondContact O-N 3.27Å; G566-S570 PolarHBondContact O-OG 2.96Å |
| 567 | V | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.7 | -44.4 | 176 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | R535 F554 L558 Q564 L565 F569 S570 L571 | R535-V567 HydrophobicContact CB-CG2 4.39Å; R535-V567 HydrophobicContact CG-CG2 3.62Å; F554-V567 HydrophobicContact CB-CG1 4.13Å; F554-V567 HydrophobicContact CD1-CG1 3.57Å; F554-V567 HydrophobicContact CE1-CG1 4.21Å; F554-V567 HydrophobicContact CG-CG1 4.02Å; L558-V567 HydrophobicContact CD1-CG1 3.97Å; L558-V567 HydrophobicContact CD2-CB 4.12Å; L558-V567 HydrophobicContact CD2-CG1 3.85Å; L558-V567 HydrophobicContact CG-CG1 3.71Å; Q564-V567 HydrophobicContact CB-CB 3.8Å; Q564-V567 HydrophobicContact CB-CG2 3.7Å; Q564-V567 HydrophobicContact CG-CG2 4.45Å; Q564-V567 WeakPolarHBondContact O-CB 3.43Å; Q564-V567 PolarHBondContact O-N 3.2Å; Q564-V567 VanDerWaalsContact O-N 3.09Å; L565-V567 PolarHBondContact O-N 3.12Å; V567-F569 VanDerWaalsContact C-N 3.27Å; V567-F569 PolarHBondContact O-N 3.43Å; V567-S570 PolarHBondContact O-N 3.18Å; V567-L571 WeakPolarHBondContact O-CB 3.43Å; V567-L571 PolarHBondContact O-N 2.84Å |
| 568 | W | 97.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 173.7 | -76.9 | 116.3 | 0 | 0 | 0 | 111.8 | L558 T562 Q564 L565 L571 G572 A587 R590 C591 | L558-W568 HydrophobicContact CB-CZ2 4.41Å; L558-W568 HydrophobicContact CD1-CD2 3.75Å; L558-W568 HydrophobicContact CD1-CE3 3.64Å; L558-W568 HydrophobicContact CD1-CG 4.47Å; L558-W568 HydrophobicContact CD1-CH2 3.85Å; L558-W568 HydrophobicContact CD1-CZ2 3.95Å; L558-W568 HydrophobicContact CD1-CZ3 3.7Å; L558-W568 HydrophobicContact CD2-CD2 4.04Å; L558-W568 HydrophobicContact CD2-CG 4.25Å; L558-W568 HydrophobicContact CD2-CZ2 4.03Å; L558-W568 HydrophobicContact CG-CZ2 4.37Å; T562-W568 PolarHBondContact O-NE1 2.9Å; Q564-W568 PolarHBondContact O-N 3.32Å; Q564-W568 VanDerWaalsContact O-N 3.08Å; L565-W568 PolarHBondContact O-N 2.98Å; W568-L571 HydrophobicContact CE3-CD2 4.13Å; W568-L571 HydrophobicContact CZ3-CD2 4.09Å; W568-L571 PolarHBondContact O-N 3.12Å; W568-G572 PolarHBondContact O-N 3.22Å; W568-A587 HydrophobicContact CE3-CB 4.01Å; W568-R590 HydrophobicContact CD2-CB 3.63Å; W568-R590 HydrophobicContact CD2-CG 4.11Å; W568-R590 HydrophobicContact CE3-CB 3.95Å; W568-R590 HydrophobicContact CE3-CG 4.14Å; W568-R590 HydrophobicContact CG-CB 3.92Å; W568-R590 HydrophobicContact CH2-CG 4.01Å; W568-R590 HydrophobicContact CZ2-CB 4.31Å; W568-R590 HydrophobicContact CZ2-CG 3.96Å; W568-R590 HydrophobicContact CZ3-CB 4.41Å; W568-R590 HydrophobicContact CZ3-CG 4.09Å; W568-C591 WeakPolarHBondContact CB-SG 3.49Å |
| 569 | F | 96.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -49.9 | 179.2 | -171.9 | -85.5 | 0 | 0 | 0 | 111.2 | L565 V567 L571 G572 C573 F588 C591 E600 A601 | L565-F569 PolarHBondContact O-N 3.43Å; V567-F569 VanDerWaalsContact C-N 3.27Å; V567-F569 PolarHBondContact O-N 3.43Å; F569-L571 VanDerWaalsContact C-N 3.32Å; F569-L571 PolarHBondContact O-N 2.99Å; F569-G572 PolarHBondContact O-N 3.37Å; F569-G572 VanDerWaalsContact O-N 3.13Å; F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 3.27Å; F569-F588 HydrophobicContact CD2-CD1 4.23Å; F569-F588 AromaticContact CD2-CE1 3.87Å; F569-F588 HydrophobicContact CD2-CE1 3.87Å; F569-F588 HydrophobicContact CE2-CD1 4.48Å; F569-F588 AromaticContact CE2-CE1 3.96Å; F569-F588 HydrophobicContact CE2-CE1 3.96Å; F569-F588 HydrophobicContact CG-CE1 4.3Å; F569-F588 HydrophobicContact CZ-CE1 4.44Å; F569-C591 VanDerWaalsContact CA-SG 3.5Å; F569-C591 PolarHBondContact N-SG 3Å; F569-E600 HydrophobicContact CE2-CB 4.32Å; F569-E600 HydrophobicContact CE2-CG 3.99Å; F569-E600 VanDerWaalsContact CZ-CD 3.49Å; F569-E600 HydrophobicContact CZ-CG 3.79Å; F569-E600 WeakPolarHBondContact CZ-OE1 3.33Å; F569-A601 HydrophobicContact CD2-CB 4.29Å; F569-A601 HydrophobicContact CE2-CB 4.36Å |
| 570 | S | 96.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | G566 V567 C573 A574 | G566-S570 WeakPolarHBondContact O-CB 3.43Å; G566-S570 PolarHBondContact O-N 3.27Å; G566-S570 PolarHBondContact O-OG 2.96Å; V567-S570 PolarHBondContact O-N 3.18Å; S570-C573 PolarHBondContact O-N 3.35Å; S570-A574 PolarHBondContact O-N 2.92Å |
| 571 | L | 97.5 | Very high | 95 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.7 | 176.2 | 62.1 | 0 | 0 | 0 | 111.3 | V551 F554 L558 V567 W568 F569 C573 A574 Y575 A587 | V551-L571 HydrophobicContact CB-CD1 4.2Å; V551-L571 HydrophobicContact CG1-CD1 4.05Å; V551-L571 HydrophobicContact CG2-CD1 4Å; F554-L571 HydrophobicContact CB-CB 4.2Å; F554-L571 HydrophobicContact CB-CD1 3.93Å; F554-L571 HydrophobicContact CB-CG 4.47Å; F554-L571 HydrophobicContact CD2-CB 4.08Å; F554-L571 HydrophobicContact CD2-CD1 4.37Å; F554-L571 HydrophobicContact CG-CB 4.42Å; L558-L571 HydrophobicContact CD1-CD2 3.52Å; V567-L571 WeakPolarHBondContact O-CB 3.43Å; V567-L571 PolarHBondContact O-N 2.84Å; W568-L571 HydrophobicContact CE3-CD2 4.13Å; W568-L571 HydrophobicContact CZ3-CD2 4.09Å; W568-L571 PolarHBondContact O-N 3.12Å; F569-L571 VanDerWaalsContact C-N 3.32Å; F569-L571 PolarHBondContact O-N 2.99Å; L571-C573 VanDerWaalsContact C-N 3.33Å; L571-C573 PolarHBondContact O-N 3.09Å; L571-A574 PolarHBondContact O-N 3.19Å; L571-Y575 HydrophobicContact CD1-CD2 3.93Å; L571-Y575 HydrophobicContact CD1-CE2 3.55Å; L571-Y575 HydrophobicContact CD2-CE2 3.96Å; L571-Y575 HydrophobicContact CG-CD2 3.86Å; L571-Y575 HydrophobicContact CG-CE2 3.54Å; L571-Y575 VanDerWaalsContact O-CD2 3.25Å; L571-Y575 WeakPolarHBondContact O-CD2 3.29Å; L571-Y575 PolarHBondContact O-N 2.93Å; L571-A587 HydrophobicContact CD2-CB 4.45Å; L571-A587 HydrophobicContact CG-CB 4.32Å |
| 572 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W568 F569 Y575 F576 F588 | W568-G572 PolarHBondContact O-N 3.22Å; F569-G572 PolarHBondContact O-N 3.37Å; F569-G572 VanDerWaalsContact O-N 3.13Å; G572-Y575 PolarHBondContact O-N 3.31Å; G572-F576 PolarHBondContact O-N 2.82Å; G572-F588 VanDerWaalsContact C-CZ 3.42Å |
| 573 | C | 96.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 31% | 0.311 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.3 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | F569 S570 L571 F576 A577 | F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 3.27Å; S570-C573 PolarHBondContact O-N 3.35Å; L571-C573 VanDerWaalsContact C-N 3.33Å; L571-C573 PolarHBondContact O-N 3.09Å; C573-F576 WeakPolarHBondContact O-CB 3.4Å; C573-F576 PolarHBondContact O-N 3.09Å; C573-A577 PolarHBondContact O-N 3.18Å; C573-A577 VanDerWaalsContact O-N 3.09Å |
| 574 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L542 V551 S570 L571 F576 A577 L578 | L542-A574 HydrophobicContact CD1-CB 4.41Å; V551-A574 HydrophobicContact CG2-CB 3.83Å; S570-A574 PolarHBondContact O-N 2.92Å; L571-A574 PolarHBondContact O-N 3.19Å; A574-F576 VanDerWaalsContact C-N 3.33Å; A574-F576 PolarHBondContact O-N 3.39Å; A574-A577 PolarHBondContact O-N 3.4Å; A574-L578 PolarHBondContact O-N 3.33Å |
| 575 | Y | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 172.7 | -79.3 | -55.6 | 0 | 0 | 0 | 112.8 | V551 E555 L571 G572 A577 L578 E579 G580 | V551-Y575 HydrophobicContact CB-CE1 4.48Å; V551-Y575 HydrophobicContact CG1-CD1 4.25Å; V551-Y575 HydrophobicContact CG1-CE1 3.5Å; V551-Y575 VanDerWaalsContact CG1-CE1 3.5Å; V551-Y575 HydrophobicContact CG2-CD1 3.99Å; V551-Y575 HydrophobicContact CG2-CE1 4.09Å; V551-Y575 HydrophobicContact CG2-CG 4.4Å; E555-Y575 PolarHBondContact OE1-OH 3.48Å; L571-Y575 HydrophobicContact CD1-CD2 3.93Å; L571-Y575 HydrophobicContact CD1-CE2 3.55Å; L571-Y575 HydrophobicContact CD2-CE2 3.96Å; L571-Y575 HydrophobicContact CG-CD2 3.86Å; L571-Y575 HydrophobicContact CG-CE2 3.54Å; L571-Y575 VanDerWaalsContact O-CD2 3.25Å; L571-Y575 WeakPolarHBondContact O-CD2 3.29Å; L571-Y575 PolarHBondContact O-N 2.93Å; G572-Y575 PolarHBondContact O-N 3.31Å; Y575-A577 VanDerWaalsContact C-N 3.31Å; Y575-A577 PolarHBondContact O-N 3.31Å; Y575-L578 CarbonylContact O-C 3.49Å; Y575-L578 PolarHBondContact O-N 3.48Å; Y575-L578 VanDerWaalsContact O-N 3.15Å; Y575-E579 PolarHBondContact O-N 3.31Å; Y575-E579 VanDerWaalsContact O-N 3.1Å; Y575-G580 PolarHBondContact O-N 2.89Å |
| 576 | F | 95.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 44 Ų | 44 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 175 | -91.1 | -40.2 | 0 | 0 | 0 | 112.7 | G572 C573 A574 L578 E579 Y581 A584 F588 N604 T607 A608 | G572-F576 PolarHBondContact O-N 2.82Å; C573-F576 WeakPolarHBondContact O-CB 3.4Å; C573-F576 PolarHBondContact O-N 3.09Å; A574-F576 VanDerWaalsContact C-N 3.33Å; A574-F576 PolarHBondContact O-N 3.39Å; F576-L578 PolarHBondContact O-N 3.08Å; F576-E579 PolarHBondContact O-N 3.09Å; F576-Y581 AromaticContact CD1-CD1 3.61Å; F576-Y581 HydrophobicContact CD1-CD1 3.61Å; F576-Y581 AromaticContact CD1-CE1 3.77Å; F576-Y581 HydrophobicContact CD1-CE1 3.77Å; F576-Y581 AromaticContact CE1-CD1 3.66Å; F576-Y581 HydrophobicContact CE1-CD1 3.66Å; F576-Y581 HydrophobicContact CE1-CE1 4.05Å; F576-A584 HydrophobicContact CD1-CB 4.03Å; F576-A584 HydrophobicContact CD2-CB 4.48Å; F576-A584 HydrophobicContact CE1-CB 4.14Å; F576-A584 HydrophobicContact CG-CB 4.2Å; F576-A584 HydrophobicContact CZ-CB 4.43Å; F576-F588 AromaticContact CD2-CE2 3.61Å; F576-F588 HydrophobicContact CD2-CE2 3.61Å; F576-F588 HydrophobicContact CD2-CZ 4.08Å; F576-F588 HydrophobicContact CE2-CD2 4.14Å; F576-F588 AromaticContact CE2-CE2 3.32Å; F576-F588 HydrophobicContact CE2-CE2 3.32Å; F576-F588 HydrophobicContact CE2-CZ 4Å; F576-F588 HydrophobicContact CZ-CE2 4.15Å; F576-N604 HydrophobicContact CE2-CB 4.03Å; F576-N604 VanDerWaalsContact CZ-O 3.23Å; F576-N604 WeakPolarHBondContact CZ-O 3.34Å; F576-T607 HydrophobicContact CE1-CG2 4.42Å; F576-T607 HydrophobicContact CZ-CG2 4.08Å; F576-A608 HydrophobicContact CE1-CB 3.81Å; F576-A608 HydrophobicContact CZ-CB 3.72Å |
| 577 | A | 95.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.8 | -26.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F547 C573 A574 Y575 | F547-A577 HydrophobicContact CB-CB 4.44Å; F547-A577 HydrophobicContact CD1-CB 3.62Å; F547-A577 HydrophobicContact CD2-CB 3.61Å; F547-A577 HydrophobicContact CE1-CB 3.62Å; F547-A577 HydrophobicContact CE2-CB 3.61Å; F547-A577 HydrophobicContact CG-CB 3.62Å; F547-A577 HydrophobicContact CZ-CB 3.61Å; C573-A577 PolarHBondContact O-N 3.18Å; C573-A577 VanDerWaalsContact O-N 3.09Å; A574-A577 PolarHBondContact O-N 3.4Å; Y575-A577 VanDerWaalsContact C-N 3.31Å; Y575-A577 PolarHBondContact O-N 3.31Å |
| 578 | L | 96.4 | Very high | 96.7 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.4 | 172.8 | -66.2 | 174.2 | 0 | 0 | 0 | 113.8 | F547 V551 A574 Y575 F576 G580 | F547-L578 HydrophobicContact CB-CD1 4.1Å; F547-L578 HydrophobicContact CB-CD2 3.69Å; F547-L578 HydrophobicContact CB-CG 3.64Å; V551-L578 HydrophobicContact CG2-CD1 3.83Å; A574-L578 PolarHBondContact O-N 3.33Å; Y575-L578 CarbonylContact O-C 3.49Å; Y575-L578 PolarHBondContact O-N 3.48Å; Y575-L578 VanDerWaalsContact O-N 3.15Å; F576-L578 PolarHBondContact O-N 3.08Å; L578-G580 PolarHBondContact O-N 2.97Å; L578-G580 VanDerWaalsContact O-N 3.11Å |
| 579 | E | 95.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 44.6 Ų | 44.6 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19.6 | -172.4 | -52.2 | -174 | 166.2 | 0 | 0 | 114.1 | Y575 F576 Y581 | Y575-E579 PolarHBondContact O-N 3.31Å; Y575-E579 VanDerWaalsContact O-N 3.1Å; F576-E579 PolarHBondContact O-N 3.09Å; E579-Y581 VanDerWaalsContact C-N 3.27Å; E579-Y581 HydrophobicContact CB-CE2 3.98Å; E579-Y581 WeakPolarHBondContact O-CD2 3.47Å; E579-Y581 WeakPolarHBondContact O-CE2 3.28Å; E579-Y581 PolarHBondContact O-N 2.81Å |
| 580 | G | 96.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | trans | -80.5 | 62 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y575 L578 E582 G583 A584 | Y575-G580 PolarHBondContact O-N 2.89Å; L578-G580 PolarHBondContact O-N 2.97Å; L578-G580 VanDerWaalsContact O-N 3.11Å; G580-E582 VanDerWaalsContact C-N 3.28Å; G580-E582 PolarHBondContact O-N 3.28Å; G580-E582 VanDerWaalsContact O-N 3.16Å; G580-G583 PolarHBondContact O-N 3.11Å; G580-A584 PolarHBondContact O-N 2.89Å; G580-A584 VanDerWaalsContact O-N 3.07Å | ||
| 581 | Y | 97.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -29.7 | -168.6 | -56.2 | -64.5 | 0 | 0 | 0 | 115.1 | F576 E579 A584 A585 R611 | F576-Y581 AromaticContact CD1-CD1 3.61Å; F576-Y581 HydrophobicContact CD1-CD1 3.61Å; F576-Y581 AromaticContact CD1-CE1 3.77Å; F576-Y581 HydrophobicContact CD1-CE1 3.77Å; F576-Y581 AromaticContact CE1-CD1 3.66Å; F576-Y581 HydrophobicContact CE1-CD1 3.66Å; F576-Y581 HydrophobicContact CE1-CE1 4.05Å; E579-Y581 VanDerWaalsContact C-N 3.27Å; E579-Y581 HydrophobicContact CB-CE2 3.98Å; E579-Y581 WeakPolarHBondContact O-CD2 3.47Å; E579-Y581 WeakPolarHBondContact O-CE2 3.28Å; E579-Y581 PolarHBondContact O-N 2.81Å; Y581-A584 PolarHBondContact O-N 3.22Å; Y581-A585 WeakPolarHBondContact O-CB 3.44Å; Y581-A585 PolarHBondContact O-N 3.18Å; Y581-R611 HydrophobicContact CD1-CB 3.55Å; Y581-R611 HydrophobicContact CD1-CG 3.83Å; Y581-R611 HydrophobicContact CD2-CB 3.8Å; Y581-R611 HydrophobicContact CE1-CB 3.7Å; Y581-R611 HydrophobicContact CE1-CG 3.54Å; Y581-R611 HydrophobicContact CE2-CB 3.96Å; Y581-R611 HydrophobicContact CE2-CG 4.41Å; Y581-R611 HydrophobicContact CG-CB 3.6Å; Y581-R611 HydrophobicContact CG-CG 4.37Å |
| 582 | E | 96.7 | Very high | 96.1 | Very high | 142 Ų | 142 | 49.7 Ų | 49.7 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.5 | -40.8 | 174.7 | -63.4 | -172.8 | 166.2 | 0 | 0 | 112.3 | G580 R586 L612 | G580-E582 VanDerWaalsContact C-N 3.28Å; G580-E582 PolarHBondContact O-N 3.28Å; G580-E582 VanDerWaalsContact O-N 3.16Å; E582-R586 WeakPolarHBondContact O-CG 3.3Å; E582-R586 PolarHBondContact O-N 3.39Å; E582-R586 VanDerWaalsContact O-N 3.11Å; E582-L612 HydrophobicContact CG-CD1 4.3Å; E582-L612 HydrophobicContact CG-CD2 3.64Å |
| 583 | G | 96.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G580 A585 R586 A587 | G580-G583 PolarHBondContact O-N 3.11Å; G583-A585 PolarHBondContact O-N 3.38Å; G583-R586 PolarHBondContact O-N 3.45Å; G583-A587 WeakPolarHBondContact O-CB 3.12Å; G583-A587 PolarHBondContact O-N 2.94Å |
| 584 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F576 G580 Y581 R586 A587 F588 A608 | F576-A584 HydrophobicContact CD1-CB 4.03Å; F576-A584 HydrophobicContact CD2-CB 4.48Å; F576-A584 HydrophobicContact CE1-CB 4.14Å; F576-A584 HydrophobicContact CG-CB 4.2Å; F576-A584 HydrophobicContact CZ-CB 4.43Å; G580-A584 PolarHBondContact O-N 2.89Å; G580-A584 VanDerWaalsContact O-N 3.07Å; Y581-A584 PolarHBondContact O-N 3.22Å; A584-R586 VanDerWaalsContact C-N 3.34Å; A584-R586 PolarHBondContact O-N 3.07Å; A584-A587 PolarHBondContact O-N 2.99Å; A584-F588 HydrophobicContact CB-CD2 4.36Å; A584-F588 HydrophobicContact CB-CE2 4.2Å; A584-F588 WeakPolarHBondContact O-CD2 3.36Å; A584-F588 PolarHBondContact O-N 3.07Å; A584-A608 HydrophobicContact CB-CB 4.35Å |
| 585 | A | 97.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y581 G583 A587 Q589 L605 A608 Y609 L612 | Y581-A585 WeakPolarHBondContact O-CB 3.44Å; Y581-A585 PolarHBondContact O-N 3.18Å; G583-A585 PolarHBondContact O-N 3.38Å; A585-A587 PolarHBondContact O-N 3.14Å; A585-Q589 WeakPolarHBondContact O-CB 3.3Å; A585-Q589 PolarHBondContact O-N 2.88Å; A585-L605 HydrophobicContact CB-CD1 4.1Å; A585-L605 VanDerWaalsContact O-CD1 3.25Å; A585-L605 WeakPolarHBondContact O-CD1 3.46Å; A585-A608 HydrophobicContact CB-CB 3.96Å; A585-Y609 HydrophobicContact CB-CD1 4.37Å; A585-Y609 HydrophobicContact CB-CE1 3.94Å; A585-L612 HydrophobicContact CB-CD1 4.2Å |
| 586 | R | 96.6 | Very high | 94.1 | Very high | 157 Ų | 157 | 55.1 Ų | 55.1 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 175.9 | -72.7 | -173.7 | -64 | 160 | 3.3 | 112.1 | E582 G583 A584 Q589 R590 | E582-R586 WeakPolarHBondContact O-CG 3.3Å; E582-R586 PolarHBondContact O-N 3.39Å; E582-R586 VanDerWaalsContact O-N 3.11Å; G583-R586 PolarHBondContact O-N 3.45Å; A584-R586 VanDerWaalsContact C-N 3.34Å; A584-R586 PolarHBondContact O-N 3.07Å; R586-Q589 PolarHBondContact O-N 3.14Å; R586-R590 WeakPolarHBondContact O-CG 3.5Å; R586-R590 PolarHBondContact O-N 3.09Å; R586-R590 VanDerWaalsContact O-N 3.11Å |
| 587 | A | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.4 | -46.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W568 L571 G583 A584 A585 Q589 R590 C591 | W568-A587 HydrophobicContact CE3-CB 4.01Å; L571-A587 HydrophobicContact CD2-CB 4.45Å; L571-A587 HydrophobicContact CG-CB 4.32Å; G583-A587 WeakPolarHBondContact O-CB 3.12Å; G583-A587 PolarHBondContact O-N 2.94Å; A584-A587 PolarHBondContact O-N 2.99Å; A585-A587 PolarHBondContact O-N 3.14Å; A587-Q589 PolarHBondContact O-N 3.06Å; A587-R590 WeakPolarHBondContact O-CB 3.47Å; A587-R590 PolarHBondContact O-N 3.32Å; A587-C591 PolarHBondContact O-N 3.24Å; A587-C591 PolarHBondContact O-SG 2.92Å |
| 588 | F | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.1 | -32.3 | 175.6 | -66.3 | -59.7 | 0 | 0 | 0 | 112.7 | F569 G572 F576 A584 R590 C591 V592 A601 N604 L605 | F569-F588 HydrophobicContact CD2-CD1 4.23Å; F569-F588 AromaticContact CD2-CE1 3.87Å; F569-F588 HydrophobicContact CD2-CE1 3.87Å; F569-F588 HydrophobicContact CE2-CD1 4.48Å; F569-F588 AromaticContact CE2-CE1 3.96Å; F569-F588 HydrophobicContact CE2-CE1 3.96Å; F569-F588 HydrophobicContact CG-CE1 4.3Å; F569-F588 HydrophobicContact CZ-CE1 4.44Å; G572-F588 VanDerWaalsContact C-CZ 3.42Å; F576-F588 AromaticContact CD2-CE2 3.61Å; F576-F588 HydrophobicContact CD2-CE2 3.61Å; F576-F588 HydrophobicContact CD2-CZ 4.08Å; F576-F588 HydrophobicContact CE2-CD2 4.14Å; F576-F588 AromaticContact CE2-CE2 3.32Å; F576-F588 HydrophobicContact CE2-CE2 3.32Å; F576-F588 HydrophobicContact CE2-CZ 4Å; F576-F588 HydrophobicContact CZ-CE2 4.15Å; A584-F588 HydrophobicContact CB-CD2 4.36Å; A584-F588 HydrophobicContact CB-CE2 4.2Å; A584-F588 WeakPolarHBondContact O-CD2 3.36Å; A584-F588 PolarHBondContact O-N 3.07Å; F588-R590 VanDerWaalsContact C-N 3.26Å; F588-R590 PolarHBondContact O-N 3.27Å; F588-C591 WeakPolarHBondContact O-CA 3.49Å; F588-C591 WeakPolarHBondContact O-CB 3.46Å; F588-C591 PolarHBondContact O-N 3.02Å; F588-C591 VanDerWaalsContact O-N 3.07Å; F588-V592 PolarHBondContact O-N 3.07Å; F588-A601 HydrophobicContact CD1-CB 4.47Å; F588-N604 HydrophobicContact CD1-CB 3.92Å; F588-N604 HydrophobicContact CD2-CB 3.9Å; F588-N604 HydrophobicContact CE1-CB 3.71Å; F588-N604 HydrophobicContact CE2-CB 3.71Å; F588-N604 HydrophobicContact CG-CB 4.02Å; F588-N604 HydrophobicContact CZ-CB 3.59Å; F588-L605 HydrophobicContact CB-CB 3.79Å; F588-L605 HydrophobicContact CB-CD1 4.19Å |
| 589 | Q | 95.6 | Very high | 92.3 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 171.6 | -173 | 178 | -2.1 | 0 | 0 | 111.6 | A585 R586 A587 V592 G593 L605 | A585-Q589 WeakPolarHBondContact O-CB 3.3Å; A585-Q589 PolarHBondContact O-N 2.88Å; R586-Q589 PolarHBondContact O-N 3.14Å; A587-Q589 PolarHBondContact O-N 3.06Å; Q589-V592 WeakPolarHBondContact O-CG2 3.28Å; Q589-G593 PolarHBondContact O-N 3.44Å; Q589-L605 HydrophobicContact CB-CD1 4.34Å; Q589-L605 HydrophobicContact CB-CD2 4.45Å |
| 590 | R | 94.9 | Very high | 92 | Very high | 163 Ų | 163 | 52.7 Ų | 52.7 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | 171.4 | -68.7 | -65 | -174.4 | 179.1 | 0.8 | 112.2 | W568 R586 A587 F588 G593 L594 | W568-R590 HydrophobicContact CD2-CB 3.63Å; W568-R590 HydrophobicContact CD2-CG 4.11Å; W568-R590 HydrophobicContact CE3-CB 3.95Å; W568-R590 HydrophobicContact CE3-CG 4.14Å; W568-R590 HydrophobicContact CG-CB 3.92Å; W568-R590 HydrophobicContact CH2-CG 4.01Å; W568-R590 HydrophobicContact CZ2-CB 4.31Å; W568-R590 HydrophobicContact CZ2-CG 3.96Å; W568-R590 HydrophobicContact CZ3-CB 4.41Å; W568-R590 HydrophobicContact CZ3-CG 4.09Å; R586-R590 WeakPolarHBondContact O-CG 3.5Å; R586-R590 PolarHBondContact O-N 3.09Å; R586-R590 VanDerWaalsContact O-N 3.11Å; A587-R590 WeakPolarHBondContact O-CB 3.47Å; A587-R590 PolarHBondContact O-N 3.32Å; F588-R590 VanDerWaalsContact C-N 3.26Å; F588-R590 PolarHBondContact O-N 3.27Å; R590-G593 PolarHBondContact O-N 3.36Å; R590-L594 WeakPolarHBondContact O-CG 3.46Å; R590-L594 PolarHBondContact O-N 3.44Å |
| 591 | C | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -52.1 | 175 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | L565 W568 F569 A587 F588 G593 L594 E595 A601 | L565-C591 HydrophobicContact CD1-CB 4.14Å; W568-C591 WeakPolarHBondContact CB-SG 3.49Å; F569-C591 VanDerWaalsContact CA-SG 3.5Å; F569-C591 PolarHBondContact N-SG 3Å; A587-C591 PolarHBondContact O-N 3.24Å; A587-C591 PolarHBondContact O-SG 2.92Å; F588-C591 WeakPolarHBondContact O-CA 3.49Å; F588-C591 WeakPolarHBondContact O-CB 3.46Å; F588-C591 PolarHBondContact O-N 3.02Å; F588-C591 VanDerWaalsContact O-N 3.07Å; C591-G593 VanDerWaalsContact C-N 3.27Å; C591-G593 PolarHBondContact O-N 3.48Å; C591-L594 PolarHBondContact O-N 3Å; C591-E595 PolarHBondContact O-N 3.45Å; C591-A601 HydrophobicContact CB-CB 3.77Å |
| 592 | V | 91.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72 | -22.3 | -178.8 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | F588 Q589 E595 P596 A601 W602 L605 | F588-V592 PolarHBondContact O-N 3.07Å; Q589-V592 WeakPolarHBondContact O-CG2 3.28Å; V592-E595 WeakPolarHBondContact CA-O 3.44Å; V592-E595 CarbonylContact O-C 3.52Å; V592-P596 VanDerWaalsContact O-CA 3.27Å; V592-P596 WeakPolarHBondContact O-CA 3.14Å; V592-A601 HydrophobicContact CG1-CB 3.73Å; V592-W602 HydrophobicContact CB-CD2 3.97Å; V592-W602 HydrophobicContact CB-CE3 4.34Å; V592-W602 HydrophobicContact CB-CH2 4.09Å; V592-W602 HydrophobicContact CB-CZ2 3.69Å; V592-W602 HydrophobicContact CB-CZ3 4.38Å; V592-W602 HydrophobicContact CG1-CB 4.42Å; V592-W602 HydrophobicContact CG1-CD2 3.56Å; V592-W602 HydrophobicContact CG1-CE3 4.02Å; V592-W602 HydrophobicContact CG1-CG 3.72Å; V592-W602 HydrophobicContact CG1-CZ2 4.26Å; V592-W602 HydrophobicContact CG2-CD2 4.37Å; V592-W602 HydrophobicContact CG2-CE3 4.25Å; V592-W602 HydrophobicContact CG2-CH2 3.73Å; V592-W602 HydrophobicContact CG2-CZ2 3.87Å; V592-W602 HydrophobicContact CG2-CZ3 3.92Å; V592-L605 HydrophobicContact CG2-CD2 4.04Å |
| 593 | G | 89.8 | Confident | 91.5 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.1 | -32.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | Q589 R590 C591 | Q589-G593 PolarHBondContact O-N 3.44Å; R590-G593 PolarHBondContact O-N 3.36Å; C591-G593 VanDerWaalsContact C-N 3.27Å; C591-G593 PolarHBondContact O-N 3.48Å |
| 594 | L | 87.4 | Confident | 91.5 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -82.4 | -44.2 | 171.9 | -66.2 | 174 | 0 | 0 | 0 | 110.9 | Y245 M563 L565 R590 C591 | Y245-L594 WeakPolarHBondContact CB-O 3.39Å; Y245-L594 HydrophobicContact CD2-CB 4.23Å; Y245-L594 HydrophobicContact CD2-CD2 4.05Å; M563-L594 HydrophobicContact SD-CD2 3.63Å; L565-L594 HydrophobicContact CB-CD1 4.4Å; L565-L594 HydrophobicContact CD1-CB 4.14Å; L565-L594 HydrophobicContact CD1-CD1 4.47Å; R590-L594 WeakPolarHBondContact O-CG 3.46Å; R590-L594 PolarHBondContact O-N 3.44Å; C591-L594 PolarHBondContact O-N 3Å |
| 595 | E | 85.1 | Confident | 91.4 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | trans | -126.8 | 89 | -178.6 | -167.5 | -178.4 | -150.7 | 0 | 0 | 110.1 | L565 C591 V592 D597 N598 | L565-E595 HydrophobicContact CD1-CB 4.15Å; L565-E595 HydrophobicContact CD2-CB 4.1Å; L565-E595 WeakPolarHBondContact CD2-OE2 3.36Å; C591-E595 PolarHBondContact O-N 3.45Å; V592-E595 WeakPolarHBondContact CA-O 3.44Å; V592-E595 CarbonylContact O-C 3.52Å; E595-D597 PolarHBondContact O-N 3.19Å; E595-N598 HydrophobicContact CB-CB 4.17Å; E595-N598 HydrophobicContact CG-CB 4.01Å; E595-N598 WeakPolarHBondContact O-CB 3.3Å; E595-N598 PolarHBondContact O-N 3.15Å; E595-N598 WeakPolarHBondContact OE2-CB 3.4Å; E595-N598 PolarHBondContact OE2-ND2 2.62Å | ||
| 596 | P | 83.6 | Confident | 91.3 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.3 | -178.1 | -25.3 | 35.8 | 0 | 0 | 0 | 114.4 | Y247 V592 N598 W602 | Y247-P596 HydrophobicContact CD2-CG 4.31Å; V592-P596 VanDerWaalsContact O-CA 3.27Å; V592-P596 WeakPolarHBondContact O-CA 3.14Å; P596-N598 VanDerWaalsContact C-N 3.33Å; P596-W602 PolarHBondContact O-NE1 3.35Å |
| 597 | D | 79.6 | Confident | 91.2 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.7 | -178 | -60.7 | -40.6 | 0 | 0 | 0 | 113.5 | E595 A599 | E595-D597 PolarHBondContact O-N 3.19Å; D597-A599 PolarHBondContact O-N 3.27Å |
| 598 | N | 84.6 | Confident | 91.2 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | trans | -76.3 | 89.9 | 180 | -166.3 | -40.6 | 0 | 0 | 0 | 111.5 | E595 P596 E600 A601 W602 | E595-N598 HydrophobicContact CB-CB 4.17Å; E595-N598 HydrophobicContact CG-CB 4.01Å; E595-N598 WeakPolarHBondContact O-CB 3.3Å; E595-N598 PolarHBondContact O-N 3.15Å; E595-N598 WeakPolarHBondContact OE2-CB 3.4Å; E595-N598 PolarHBondContact OE2-ND2 2.62Å; P596-N598 VanDerWaalsContact C-N 3.33Å; N598-E600 PolarHBondContact O-N 3.31Å; N598-E600 PolarHBondContact OD1-N 3.31Å; N598-A601 HydrophobicContact CB-CB 3.93Å; N598-A601 PolarHBondContact O-N 3.22Å; N598-A601 WeakPolarHBondContact OD1-CB 3.37Å; N598-A601 PolarHBondContact OD1-N 3.05Å; N598-W602 PolarHBondContact O-N 3.34Å | ||
| 599 | A | 85.7 | Confident | 91.2 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -35.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D597 W602 N603 C628 N629 | D597-A599 PolarHBondContact O-N 3.27Å; A599-W602 PolarHBondContact O-N 3.24Å; A599-N603 WeakPolarHBondContact O-CB 3.23Å; A599-N603 PolarHBondContact O-N 3.37Å; A599-C628 HydrophobicContact CB-CB 3.68Å; A599-N629 HydrophobicContact CB-CB 3.56Å |
| 600 | E | 89.2 | Confident | 91.1 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -69.3 | -43.2 | -180 | -168.9 | 178.1 | 177.6 | 0 | 0 | 111.2 | F569 N598 N603 N604 | F569-E600 HydrophobicContact CE2-CB 4.32Å; F569-E600 HydrophobicContact CE2-CG 3.99Å; F569-E600 VanDerWaalsContact CZ-CD 3.49Å; F569-E600 HydrophobicContact CZ-CG 3.79Å; F569-E600 WeakPolarHBondContact CZ-OE1 3.33Å; N598-E600 PolarHBondContact O-N 3.31Å; N598-E600 PolarHBondContact OD1-N 3.31Å; E600-N603 PolarHBondContact O-N 2.86Å; E600-N604 WeakPolarHBondContact O-CB 3.43Å; E600-N604 VanDerWaalsContact O-CG 3.29Å; E600-N604 PolarHBondContact O-N 3.47Å; E600-N604 PolarHBondContact O-ND2 3.26Å |
| 601 | A | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F569 F588 C591 V592 N598 N604 L605 | F569-A601 HydrophobicContact CD2-CB 4.29Å; F569-A601 HydrophobicContact CE2-CB 4.36Å; F588-A601 HydrophobicContact CD1-CB 4.47Å; C591-A601 HydrophobicContact CB-CB 3.77Å; V592-A601 HydrophobicContact CG1-CB 3.73Å; N598-A601 HydrophobicContact CB-CB 3.93Å; N598-A601 PolarHBondContact O-N 3.22Å; N598-A601 WeakPolarHBondContact OD1-CB 3.37Å; N598-A601 PolarHBondContact OD1-N 3.05Å; A601-N604 PolarHBondContact O-N 3.16Å; A601-L605 VanDerWaalsContact O-CB 3.29Å; A601-L605 WeakPolarHBondContact O-CB 3.37Å; A601-L605 PolarHBondContact O-N 3.14Å |
| 602 | W | 94.5 | Very high | 91.2 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.6 | -79.6 | 116.5 | 0 | 0 | 0 | 112.8 | V592 P596 N598 A599 N604 L605 S606 T621 E624 A625 | V592-W602 HydrophobicContact CB-CD2 3.97Å; V592-W602 HydrophobicContact CB-CE3 4.34Å; V592-W602 HydrophobicContact CB-CH2 4.09Å; V592-W602 HydrophobicContact CB-CZ2 3.69Å; V592-W602 HydrophobicContact CB-CZ3 4.38Å; V592-W602 HydrophobicContact CG1-CB 4.42Å; V592-W602 HydrophobicContact CG1-CD2 3.56Å; V592-W602 HydrophobicContact CG1-CE3 4.02Å; V592-W602 HydrophobicContact CG1-CG 3.72Å; V592-W602 HydrophobicContact CG1-CZ2 4.26Å; V592-W602 HydrophobicContact CG2-CD2 4.37Å; V592-W602 HydrophobicContact CG2-CE3 4.25Å; V592-W602 HydrophobicContact CG2-CH2 3.73Å; V592-W602 HydrophobicContact CG2-CZ2 3.87Å; V592-W602 HydrophobicContact CG2-CZ3 3.92Å; P596-W602 PolarHBondContact O-NE1 3.35Å; N598-W602 PolarHBondContact O-N 3.34Å; A599-W602 PolarHBondContact O-N 3.24Å; W602-N604 PolarHBondContact O-N 2.99Å; W602-L605 HydrophobicContact CE3-CD2 3.94Å; W602-L605 HydrophobicContact CZ3-CD2 3.84Å; W602-L605 PolarHBondContact O-N 3.41Å; W602-S606 PolarHBondContact O-N 3.29Å; W602-T621 HydrophobicContact CE3-CG2 4.03Å; W602-T621 HydrophobicContact CZ3-CG2 3.84Å; W602-E624 HydrophobicContact CD2-CB 3.83Å; W602-E624 HydrophobicContact CE3-CB 4.09Å; W602-E624 HydrophobicContact CG-CB 4.32Å; W602-E624 HydrophobicContact CH2-CB 4.34Å; W602-E624 HydrophobicContact CH2-CG 4.25Å; W602-E624 HydrophobicContact CZ2-CB 4.07Å; W602-E624 HydrophobicContact CZ2-CG 4.28Å; W602-E624 HydrophobicContact CZ3-CB 4.35Å; W602-E624 HydrophobicContact CZ3-CG 4.45Å; W602-A625 HydrophobicContact CB-CB 3.63Å |
| 603 | N | 92.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 177 | -178.3 | 57.8 | 0 | 0 | 0 | 111.5 | A599 E600 S606 T607 I635 N638 | A599-N603 WeakPolarHBondContact O-CB 3.23Å; A599-N603 PolarHBondContact O-N 3.37Å; E600-N603 PolarHBondContact O-N 2.86Å; N603-S606 PolarHBondContact O-N 3.37Å; N603-S606 PolarHBondContact O-OG 3.44Å; N603-T607 PolarHBondContact O-N 2.88Å; N603-T607 PolarHBondContact O-OG1 2.76Å; N603-I635 HydrophobicContact CB-CD1 4.35Å; N603-I635 HydrophobicContact CB-CG1 3.91Å; N603-N638 PolarHBondContact OD1-ND2 3.26Å; N603-N638 VanDerWaalsContact OD1-ND2 3.17Å |
| 604 | N | 94.9 | Very high | 91.6 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.8 | -74.1 | -18.5 | 0 | 0 | 0 | 111.8 | F576 F588 E600 A601 W602 S606 T607 A608 | F576-N604 HydrophobicContact CE2-CB 4.03Å; F576-N604 VanDerWaalsContact CZ-O 3.23Å; F576-N604 WeakPolarHBondContact CZ-O 3.34Å; F588-N604 HydrophobicContact CD1-CB 3.92Å; F588-N604 HydrophobicContact CD2-CB 3.9Å; F588-N604 HydrophobicContact CE1-CB 3.71Å; F588-N604 HydrophobicContact CE2-CB 3.71Å; F588-N604 HydrophobicContact CG-CB 4.02Å; F588-N604 HydrophobicContact CZ-CB 3.59Å; E600-N604 WeakPolarHBondContact O-CB 3.43Å; E600-N604 VanDerWaalsContact O-CG 3.29Å; E600-N604 PolarHBondContact O-N 3.47Å; E600-N604 PolarHBondContact O-ND2 3.26Å; A601-N604 PolarHBondContact O-N 3.16Å; W602-N604 PolarHBondContact O-N 2.99Å; N604-S606 VanDerWaalsContact C-N 3.31Å; N604-S606 PolarHBondContact O-N 3.23Å; N604-T607 PolarHBondContact O-N 3.25Å; N604-A608 PolarHBondContact O-N 2.95Å |
| 605 | L | 96.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 172.4 | -179.8 | 57 | 0 | 0 | 0 | 111.7 | A585 F588 Q589 V592 A601 W602 T607 A608 Y609 T621 | A585-L605 HydrophobicContact CB-CD1 4.1Å; A585-L605 VanDerWaalsContact O-CD1 3.25Å; A585-L605 WeakPolarHBondContact O-CD1 3.46Å; F588-L605 HydrophobicContact CB-CB 3.79Å; F588-L605 HydrophobicContact CB-CD1 4.19Å; Q589-L605 HydrophobicContact CB-CD1 4.34Å; Q589-L605 HydrophobicContact CB-CD2 4.45Å; V592-L605 HydrophobicContact CG2-CD2 4.04Å; A601-L605 VanDerWaalsContact O-CB 3.29Å; A601-L605 WeakPolarHBondContact O-CB 3.37Å; A601-L605 PolarHBondContact O-N 3.14Å; W602-L605 HydrophobicContact CE3-CD2 3.94Å; W602-L605 HydrophobicContact CZ3-CD2 3.84Å; W602-L605 PolarHBondContact O-N 3.41Å; L605-T607 VanDerWaalsContact C-N 3.35Å; L605-T607 PolarHBondContact O-N 3.3Å; L605-A608 WeakPolarHBondContact O-CB 3.3Å; L605-A608 PolarHBondContact O-N 3.33Å; L605-Y609 HydrophobicContact CD1-CD2 4.3Å; L605-Y609 HydrophobicContact CD1-CE2 3.74Å; L605-Y609 HydrophobicContact CD2-CE2 4.28Å; L605-Y609 HydrophobicContact CG-CD2 4.21Å; L605-Y609 HydrophobicContact CG-CE2 3.8Å; L605-Y609 PolarHBondContact O-N 2.97Å; L605-T621 HydrophobicContact CD2-CG2 3.94Å; L605-T621 HydrophobicContact CG-CG2 4.13Å |
| 606 | S | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.1 | 78.9 | 0 | 0 | 0 | 0 | 112.2 | W602 N603 N604 A608 Y609 I610 T621 L622 | W602-S606 PolarHBondContact O-N 3.29Å; N603-S606 PolarHBondContact O-N 3.37Å; N603-S606 PolarHBondContact O-OG 3.44Å; N604-S606 VanDerWaalsContact C-N 3.31Å; N604-S606 PolarHBondContact O-N 3.23Å; S606-A608 VanDerWaalsContact C-N 3.28Å; S606-A608 PolarHBondContact O-N 2.88Å; S606-Y609 CarbonylContact O-C 3.32Å; S606-Y609 PolarHBondContact O-N 3.46Å; S606-Y609 VanDerWaalsContact O-N 3.08Å; S606-I610 WeakPolarHBondContact O-CG1 3.44Å; S606-I610 PolarHBondContact O-N 3.49Å; S606-T621 VanDerWaalsContact CA-OG1 3.3Å; S606-T621 WeakPolarHBondContact CA-OG1 3.17Å; S606-T621 WeakPolarHBondContact CB-OG1 3.48Å; S606-L622 VanDerWaalsContact OG-CD2 3.24Å; S606-L622 WeakPolarHBondContact OG-CD2 3.38Å; S606-L622 WeakPolarHBondContact OG-CG 3.45Å |
| 607 | T | 94.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | F576 N603 N604 L605 I610 R611 | F576-T607 HydrophobicContact CE1-CG2 4.42Å; F576-T607 HydrophobicContact CZ-CG2 4.08Å; N603-T607 PolarHBondContact O-N 2.88Å; N603-T607 PolarHBondContact O-OG1 2.76Å; N604-T607 PolarHBondContact O-N 3.25Å; L605-T607 VanDerWaalsContact C-N 3.35Å; L605-T607 PolarHBondContact O-N 3.3Å; T607-I610 PolarHBondContact O-N 3.46Å; T607-R611 VanDerWaalsContact O-CG 3.3Å; T607-R611 WeakPolarHBondContact O-CG 3.29Å; T607-R611 PolarHBondContact O-N 2.99Å |
| 608 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F576 A584 A585 N604 L605 S606 I610 R611 L612 | F576-A608 HydrophobicContact CE1-CB 3.81Å; F576-A608 HydrophobicContact CZ-CB 3.72Å; A584-A608 HydrophobicContact CB-CB 4.35Å; A585-A608 HydrophobicContact CB-CB 3.96Å; N604-A608 PolarHBondContact O-N 2.95Å; L605-A608 WeakPolarHBondContact O-CB 3.3Å; L605-A608 PolarHBondContact O-N 3.33Å; S606-A608 VanDerWaalsContact C-N 3.28Å; S606-A608 PolarHBondContact O-N 2.88Å; A608-I610 PolarHBondContact O-N 3.37Å; A608-R611 PolarHBondContact O-N 3.16Å; A608-L612 WeakPolarHBondContact O-CB 3.46Å; A608-L612 VanDerWaalsContact O-CG 3.3Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 3.46Å |
| 609 | Y | 97.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -34.1 | 175.7 | -71.6 | -36.4 | 0 | 0 | 0 | 113.9 | A585 L605 S606 L612 Q613 M614 K617 T621 | A585-Y609 HydrophobicContact CB-CD1 4.37Å; A585-Y609 HydrophobicContact CB-CE1 3.94Å; L605-Y609 HydrophobicContact CD1-CD2 4.3Å; L605-Y609 HydrophobicContact CD1-CE2 3.74Å; L605-Y609 HydrophobicContact CD2-CE2 4.28Å; L605-Y609 HydrophobicContact CG-CD2 4.21Å; L605-Y609 HydrophobicContact CG-CE2 3.8Å; L605-Y609 PolarHBondContact O-N 2.97Å; S606-Y609 CarbonylContact O-C 3.32Å; S606-Y609 PolarHBondContact O-N 3.46Å; S606-Y609 VanDerWaalsContact O-N 3.08Å; Y609-L612 HydrophobicContact CD1-CD1 4.34Å; Y609-L612 CarbonylContact O-C 3.47Å; Y609-L612 PolarHBondContact O-N 3.09Å; Y609-Q613 PolarHBondContact O-N 3.3Å; Y609-M614 HydrophobicContact CD1-CB 4.26Å; Y609-M614 HydrophobicContact CD1-SD 3.91Å; Y609-M614 HydrophobicContact CE1-SD 4.18Å; Y609-M614 PolarHBondContact O-N 2.92Å; Y609-K617 HydrophobicContact CD1-CB 4.37Å; Y609-K617 HydrophobicContact CD1-CD 4.43Å; Y609-K617 HydrophobicContact CD2-CB 3.68Å; Y609-K617 HydrophobicContact CE1-CD 4.11Å; Y609-K617 HydrophobicContact CE2-CB 3.93Å; Y609-K617 HydrophobicContact CE2-CD 4.38Å; Y609-K617 HydrophobicContact CG-CB 3.93Å; Y609-T621 HydrophobicContact CD2-CG2 3.88Å; Y609-T621 HydrophobicContact CE2-CG2 3.74Å |
| 610 | I | 93.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 172.5 | -66.3 | 169.3 | 0 | 0 | 0 | 109.7 | S606 T607 A608 L612 Q613 A618 V642 | S606-I610 WeakPolarHBondContact O-CG1 3.44Å; S606-I610 PolarHBondContact O-N 3.49Å; T607-I610 PolarHBondContact O-N 3.46Å; A608-I610 PolarHBondContact O-N 3.37Å; I610-L612 VanDerWaalsContact C-N 3.3Å; I610-L612 PolarHBondContact O-N 2.96Å; I610-Q613 PolarHBondContact O-N 2.92Å; I610-A618 HydrophobicContact CG1-CB 3.66Å; I610-V642 HydrophobicContact CD1-CG2 3.48Å; I610-V642 VanDerWaalsContact CD1-CG2 3.48Å; I610-V642 HydrophobicContact CG1-CG2 3.62Å |
| 611 | R | 94.9 | Very high | 94.4 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 58% | 0.581 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.9 | -35 | 179.1 | -66 | -71.3 | -177.7 | -174.3 | 1.1 | 112.5 | Y581 T607 A608 Q613 | Y581-R611 HydrophobicContact CD1-CB 3.55Å; Y581-R611 HydrophobicContact CD1-CG 3.83Å; Y581-R611 HydrophobicContact CD2-CB 3.8Å; Y581-R611 HydrophobicContact CE1-CB 3.7Å; Y581-R611 HydrophobicContact CE1-CG 3.54Å; Y581-R611 HydrophobicContact CE2-CB 3.96Å; Y581-R611 HydrophobicContact CE2-CG 4.41Å; Y581-R611 HydrophobicContact CG-CB 3.6Å; Y581-R611 HydrophobicContact CG-CG 4.37Å; T607-R611 VanDerWaalsContact O-CG 3.3Å; T607-R611 WeakPolarHBondContact O-CG 3.29Å; T607-R611 PolarHBondContact O-N 2.99Å; A608-R611 PolarHBondContact O-N 3.16Å; R611-Q613 PolarHBondContact O-N 2.96Å |
| 612 | L | 95.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 3.3 | 172.7 | -66.7 | 170.9 | 0 | 0 | 0 | 114.1 | E582 A585 A608 Y609 I610 M614 | E582-L612 HydrophobicContact CG-CD1 4.3Å; E582-L612 HydrophobicContact CG-CD2 3.64Å; A585-L612 HydrophobicContact CB-CD1 4.2Å; A608-L612 WeakPolarHBondContact O-CB 3.46Å; A608-L612 VanDerWaalsContact O-CG 3.3Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 3.46Å; Y609-L612 HydrophobicContact CD1-CD1 4.34Å; Y609-L612 CarbonylContact O-C 3.47Å; Y609-L612 PolarHBondContact O-N 3.09Å; I610-L612 VanDerWaalsContact C-N 3.3Å; I610-L612 PolarHBondContact O-N 2.96Å; L612-M614 HydrophobicContact CB-CG 3.94Å; L612-M614 HydrophobicContact CB-SD 4.39Å; L612-M614 PolarHBondContact O-N 2.59Å; L612-M614 VanDerWaalsContact O-N 3.14Å |
| 613 | Q | 94 | Very high | 94.3 | Very high | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 20.4 | -176.5 | -58.1 | -63.2 | -37.5 | 0 | 0 | 114.3 | Y609 I610 R611 K615 | Y609-Q613 PolarHBondContact O-N 3.3Å; I610-Q613 PolarHBondContact O-N 2.92Å; R611-Q613 PolarHBondContact O-N 2.96Å; Q613-K615 VanDerWaalsContact C-N 3.26Å; Q613-K615 PolarHBondContact O-N 3.45Å; Q613-K615 VanDerWaalsContact O-N 3.08Å |
| 614 | M | 94.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 54 Ų | 54 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | trans | -88 | 60.8 | 177.7 | -57.3 | -171 | 89.6 | 0 | 0 | 110.9 | Y609 L612 T616 K617 A618 | Y609-M614 HydrophobicContact CD1-CB 4.26Å; Y609-M614 HydrophobicContact CD1-SD 3.91Å; Y609-M614 HydrophobicContact CE1-SD 4.18Å; Y609-M614 PolarHBondContact O-N 2.92Å; L612-M614 HydrophobicContact CB-CG 3.94Å; L612-M614 HydrophobicContact CB-SD 4.39Å; L612-M614 PolarHBondContact O-N 2.59Å; L612-M614 VanDerWaalsContact O-N 3.14Å; M614-T616 PolarHBondContact O-N 3.45Å; M614-K617 HydrophobicContact CB-CB 4.32Å; M614-K617 HydrophobicContact CE-CD 3.73Å; M614-K617 PolarHBondContact O-N 2.95Å; M614-K617 HydrophobicContact SD-CD 4.17Å; M614-A618 PolarHBondContact O-N 2.91Å | ||
| 615 | K | 92.1 | Very high | 94 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.1 | -47.9 | -169.8 | -63.7 | 178.6 | 166.9 | -162.7 | 0 | 113.7 | Q613 K617 A618 F619 D645 I646 | Q613-K615 VanDerWaalsContact C-N 3.26Å; Q613-K615 PolarHBondContact O-N 3.45Å; Q613-K615 VanDerWaalsContact O-N 3.08Å; K615-K617 VanDerWaalsContact C-N 3.31Å; K615-K617 PolarHBondContact O-N 2.91Å; K615-A618 WeakPolarHBondContact O-CB 3.5Å; K615-A618 PolarHBondContact O-N 3.48Å; K615-A618 VanDerWaalsContact O-N 3.15Å; K615-F619 PolarHBondContact O-N 3.07Å; K615-D645 HydrophobicContact CD-CB 4.11Å; K615-D645 WeakPolarHBondContact CE-OD2 3.42Å; K615-D645 IonicContact NZ-OD1 2.65Å; K615-D645 IonicContact NZ-OD2 2.77Å; K615-D645 PolarHBondContact NZ-OD2 3.3Å; K615-I646 HydrophobicContact CB-CD1 4.23Å; K615-I646 HydrophobicContact CB-CG1 3.85Å; K615-I646 WeakPolarHBondContact O-CD1 3.33Å |
| 616 | T | 92.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 52% | 0.515 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -36.6 | 179.9 | -47.3 | 0 | 0 | 0 | 0 | 113.2 | M614 R620 | M614-T616 PolarHBondContact O-N 3.45Å; T616-R620 WeakPolarHBondContact O-CG 3.35Å; T616-R620 PolarHBondContact O-N 2.99Å |
| 617 | K | 94.3 | Very high | 93.3 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.9 | -43.4 | 175.2 | -66 | -170.1 | -178.7 | -177.9 | 0 | 110.6 | Y609 M614 K615 F619 R620 T621 | Y609-K617 HydrophobicContact CD1-CB 4.37Å; Y609-K617 HydrophobicContact CD1-CD 4.43Å; Y609-K617 HydrophobicContact CD2-CB 3.68Å; Y609-K617 HydrophobicContact CE1-CD 4.11Å; Y609-K617 HydrophobicContact CE2-CB 3.93Å; Y609-K617 HydrophobicContact CE2-CD 4.38Å; Y609-K617 HydrophobicContact CG-CB 3.93Å; M614-K617 HydrophobicContact CB-CB 4.32Å; M614-K617 HydrophobicContact CE-CD 3.73Å; M614-K617 PolarHBondContact O-N 2.95Å; M614-K617 HydrophobicContact SD-CD 4.17Å; K615-K617 VanDerWaalsContact C-N 3.31Å; K615-K617 PolarHBondContact O-N 2.91Å; K617-F619 VanDerWaalsContact C-N 3.29Å; K617-F619 PolarHBondContact O-N 2.89Å; K617-R620 PolarHBondContact O-N 2.9Å; K617-T621 WeakPolarHBondContact O-CG2 3.43Å; K617-T621 PolarHBondContact O-N 3.41Å; K617-T621 PolarHBondContact O-OG1 2.84Å |
| 618 | A | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.4 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I610 M614 K615 R620 T621 L622 V642 | I610-A618 HydrophobicContact CG1-CB 3.66Å; M614-A618 PolarHBondContact O-N 2.91Å; K615-A618 WeakPolarHBondContact O-CB 3.5Å; K615-A618 PolarHBondContact O-N 3.48Å; K615-A618 VanDerWaalsContact O-N 3.15Å; A618-R620 PolarHBondContact O-N 3.38Å; A618-T621 WeakPolarHBondContact CA-OG1 3.19Å; A618-T621 PolarHBondContact O-N 2.87Å; A618-T621 PolarHBondContact O-OG1 3.27Å; A618-L622 WeakPolarHBondContact O-CG 3.16Å; A618-L622 PolarHBondContact O-N 3.19Å; A618-V642 HydrophobicContact CB-CG1 4.16Å; A618-V642 HydrophobicContact CB-CG2 4.39Å |
| 619 | F | 93.9 | Very high | 92 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 177.6 | -179.6 | -100.2 | 0 | 0 | 0 | 113.1 | K615 K617 T621 L622 Q623 F639 V642 S643 I646 D648 E651 | K615-F619 PolarHBondContact O-N 3.07Å; K617-F619 VanDerWaalsContact C-N 3.29Å; K617-F619 PolarHBondContact O-N 2.89Å; F619-T621 VanDerWaalsContact C-N 3.33Å; F619-T621 PolarHBondContact O-N 2.75Å; F619-L622 PolarHBondContact O-N 3.3Å; F619-Q623 HydrophobicContact CE1-CG 4.31Å; F619-Q623 WeakPolarHBondContact O-CG 3.46Å; F619-Q623 PolarHBondContact O-N 3.39Å; F619-F639 HydrophobicContact CD2-CD2 4.4Å; F619-F639 AromaticContact CD2-CE2 3.83Å; F619-F639 HydrophobicContact CD2-CE2 3.83Å; F619-F639 HydrophobicContact CD2-CZ 4.47Å; F619-F639 HydrophobicContact CE2-CD2 4.42Å; F619-F639 AromaticContact CE2-CE2 3.51Å; F619-F639 HydrophobicContact CE2-CE2 3.51Å; F619-F639 AromaticContact CE2-CZ 3.73Å; F619-F639 HydrophobicContact CE2-CZ 3.73Å; F619-F639 HydrophobicContact CZ-CE2 4.16Å; F619-F639 HydrophobicContact CZ-CZ 4.22Å; F619-V642 HydrophobicContact CB-CG1 3.84Å; F619-S643 WeakPolarHBondContact CE2-OG 3.35Å; F619-I646 HydrophobicContact CB-CD1 3.33Å; F619-I646 HydrophobicContact CD2-CD1 4.17Å; F619-I646 HydrophobicContact CG-CD1 3.83Å; F619-D648 HydrophobicContact CE2-CB 4.46Å; F619-D648 HydrophobicContact CZ-CB 4.45Å; F619-E651 HydrophobicContact CE2-CB 4.42Å; F619-E651 HydrophobicContact CZ-CB 4.46Å; F619-E651 HydrophobicContact CZ-CG 4.2Å |
| 620 | R | 93.3 | Very high | 91.5 | Very high | 162 Ų | 162 | 67.9 Ų | 67.9 | 61% | 0.611 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 178 | -68.4 | 179.1 | -174.4 | 177.7 | 1.5 | 112 | T616 K617 A618 L622 Q623 E624 | T616-R620 WeakPolarHBondContact O-CG 3.35Å; T616-R620 PolarHBondContact O-N 2.99Å; K617-R620 PolarHBondContact O-N 2.9Å; A618-R620 PolarHBondContact O-N 3.38Å; R620-L622 VanDerWaalsContact C-N 3.35Å; R620-L622 PolarHBondContact O-N 2.85Å; R620-Q623 WeakPolarHBondContact O-CB 3.41Å; R620-Q623 PolarHBondContact O-N 2.93Å; R620-E624 PolarHBondContact O-N 3.31Å |
| 621 | T | 93.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 113 | W602 L605 S606 Y609 K617 A618 F619 E624 A625 | W602-T621 HydrophobicContact CE3-CG2 4.03Å; W602-T621 HydrophobicContact CZ3-CG2 3.84Å; L605-T621 HydrophobicContact CD2-CG2 3.94Å; L605-T621 HydrophobicContact CG-CG2 4.13Å; S606-T621 VanDerWaalsContact CA-OG1 3.3Å; S606-T621 WeakPolarHBondContact CA-OG1 3.17Å; S606-T621 WeakPolarHBondContact CB-OG1 3.48Å; Y609-T621 HydrophobicContact CD2-CG2 3.88Å; Y609-T621 HydrophobicContact CE2-CG2 3.74Å; K617-T621 WeakPolarHBondContact O-CG2 3.43Å; K617-T621 PolarHBondContact O-N 3.41Å; K617-T621 PolarHBondContact O-OG1 2.84Å; A618-T621 WeakPolarHBondContact CA-OG1 3.19Å; A618-T621 PolarHBondContact O-N 2.87Å; A618-T621 PolarHBondContact O-OG1 3.27Å; F619-T621 VanDerWaalsContact C-N 3.33Å; F619-T621 PolarHBondContact O-N 2.75Å; T621-E624 PolarHBondContact O-N 2.85Å; T621-A625 PolarHBondContact O-N 3.2Å |
| 622 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -34.8 | 171.8 | -74.5 | 158.4 | 0 | 0 | 0 | 112.3 | S606 A618 F619 R620 E624 A625 L626 I635 N638 F639 V642 | S606-L622 VanDerWaalsContact OG-CD2 3.24Å; S606-L622 WeakPolarHBondContact OG-CD2 3.38Å; S606-L622 WeakPolarHBondContact OG-CG 3.45Å; A618-L622 WeakPolarHBondContact O-CG 3.16Å; A618-L622 PolarHBondContact O-N 3.19Å; F619-L622 PolarHBondContact O-N 3.3Å; R620-L622 VanDerWaalsContact C-N 3.35Å; R620-L622 PolarHBondContact O-N 2.85Å; L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 3.47Å; L622-A625 WeakPolarHBondContact O-CB 3.47Å; L622-A625 PolarHBondContact O-N 2.96Å; L622-L626 WeakPolarHBondContact O-CB 3.41Å; L622-L626 VanDerWaalsContact O-CG 3.3Å; L622-L626 WeakPolarHBondContact O-CG 3.43Å; L622-L626 PolarHBondContact O-N 3.37Å; L622-I635 HydrophobicContact CD2-CG2 3.94Å; L622-N638 HydrophobicContact CD1-CB 4.19Å; L622-N638 HydrophobicContact CD2-CB 3.72Å; L622-F639 HydrophobicContact CB-CB 4.36Å; L622-F639 HydrophobicContact CB-CD2 3.72Å; L622-V642 HydrophobicContact CD1-CB 4.06Å; L622-V642 HydrophobicContact CD1-CG1 4.49Å; L622-V642 HydrophobicContact CD1-CG2 3.84Å |
| 623 | Q | 92.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 173.4 | -69.3 | 179.5 | -50.6 | 0 | 0 | 111.5 | F619 R620 L626 K627 F639 | F619-Q623 HydrophobicContact CE1-CG 4.31Å; F619-Q623 WeakPolarHBondContact O-CG 3.46Å; F619-Q623 PolarHBondContact O-N 3.39Å; R620-Q623 WeakPolarHBondContact O-CB 3.41Å; R620-Q623 PolarHBondContact O-N 2.93Å; Q623-L626 PolarHBondContact O-N 3.45Å; Q623-K627 WeakPolarHBondContact O-CG 3.48Å; Q623-K627 PolarHBondContact O-N 2.88Å; Q623-K627 VanDerWaalsContact O-N 3.16Å; Q623-F639 HydrophobicContact CG-CE2 3.76Å; Q623-F639 HydrophobicContact CG-CZ 4.4Å |
| 624 | E | 90.8 | Very high | 90.4 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 173.7 | -59.1 | -50.9 | 140.4 | 0 | 0 | 111.4 | W602 R620 T621 L622 L626 K627 C628 | W602-E624 HydrophobicContact CD2-CB 3.83Å; W602-E624 HydrophobicContact CE3-CB 4.09Å; W602-E624 HydrophobicContact CG-CB 4.32Å; W602-E624 HydrophobicContact CH2-CB 4.34Å; W602-E624 HydrophobicContact CH2-CG 4.25Å; W602-E624 HydrophobicContact CZ2-CB 4.07Å; W602-E624 HydrophobicContact CZ2-CG 4.28Å; W602-E624 HydrophobicContact CZ3-CB 4.35Å; W602-E624 HydrophobicContact CZ3-CG 4.45Å; R620-E624 PolarHBondContact O-N 3.31Å; T621-E624 PolarHBondContact O-N 2.85Å; L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 3.47Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.98Å; E624-K627 WeakPolarHBondContact O-CB 3.27Å; E624-K627 PolarHBondContact O-N 3.23Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 3.26Å; E624-K627 WeakPolarHBondContact OE2-CD 3.46Å; E624-K627 IonicContact OE2-NZ 2.93Å; E624-K627 PolarHBondContact OE2-NZ 3.26Å; E624-C628 PolarHBondContact O-N 2.94Å; E624-C628 VanDerWaalsContact O-N 3.12Å; E624-C628 PolarHBondContact O-SG 3.14Å |
| 625 | A | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.3 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W602 T621 L622 C628 N629 I635 | W602-A625 HydrophobicContact CB-CB 3.63Å; T621-A625 PolarHBondContact O-N 3.2Å; L622-A625 WeakPolarHBondContact O-CB 3.47Å; L622-A625 PolarHBondContact O-N 2.96Å; A625-C628 PolarHBondContact O-N 3.26Å; A625-N629 PolarHBondContact O-N 3.49Å; A625-I635 HydrophobicContact CB-CD1 4.07Å; A625-I635 HydrophobicContact CB-CG1 4.41Å; A625-I635 HydrophobicContact CB-CG2 3.81Å |
| 626 | L | 89.6 | Confident | 90.4 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -29.1 | 178.2 | -74.3 | 175.7 | 0 | 0 | 0 | 113.6 | L622 Q623 E624 N629 Y630 I635 W636 F639 | L622-L626 WeakPolarHBondContact O-CB 3.41Å; L622-L626 VanDerWaalsContact O-CG 3.3Å; L622-L626 WeakPolarHBondContact O-CG 3.43Å; L622-L626 PolarHBondContact O-N 3.37Å; Q623-L626 PolarHBondContact O-N 3.45Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.98Å; L626-N629 CarbonylContact O-C 3.55Å; L626-Y630 WeakPolarHBondContact O-CA 3.47Å; L626-Y630 PolarHBondContact O-N 3.01Å; L626-I635 HydrophobicContact CD2-CB 4.02Å; L626-I635 HydrophobicContact CD2-CG2 3.39Å; L626-I635 HydrophobicContact CG-CG2 3.56Å; L626-W636 HydrophobicContact CD1-CD2 4.2Å; L626-W636 HydrophobicContact CD1-CE3 3.92Å; L626-W636 HydrophobicContact CD1-CH2 3.77Å; L626-W636 HydrophobicContact CD1-CZ2 4.03Å; L626-W636 HydrophobicContact CD1-CZ3 3.71Å; L626-W636 HydrophobicContact CD2-CD2 3.62Å; L626-W636 HydrophobicContact CD2-CE3 4.21Å; L626-W636 HydrophobicContact CD2-CG 3.9Å; L626-W636 HydrophobicContact CD2-CH2 4.31Å; L626-W636 HydrophobicContact CD2-CZ2 3.71Å; L626-W636 HydrophobicContact CG-CZ2 4.37Å; L626-F639 HydrophobicContact CD1-CB 4.05Å; L626-F639 HydrophobicContact CD1-CD1 3.86Å; L626-F639 HydrophobicContact CD1-CD2 3.87Å; L626-F639 HydrophobicContact CD1-CE1 4.26Å; L626-F639 HydrophobicContact CD1-CE2 4.26Å; L626-F639 HydrophobicContact CD1-CG 3.64Å; L626-F639 HydrophobicContact CD1-CZ 4.44Å |
| 627 | K | 87.5 | Confident | 90.4 | Very high | 146 Ų | 146 | 58.9 Ų | 58.9 | 64% | 0.635 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.3 | -41.4 | 171.3 | -69.4 | 174.1 | -166.4 | 166.4 | 0 | 110.8 | Q623 E624 | Q623-K627 WeakPolarHBondContact O-CG 3.48Å; Q623-K627 PolarHBondContact O-N 2.88Å; Q623-K627 VanDerWaalsContact O-N 3.16Å; E624-K627 WeakPolarHBondContact O-CB 3.27Å; E624-K627 PolarHBondContact O-N 3.23Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 3.26Å; E624-K627 WeakPolarHBondContact OE2-CD 3.46Å; E624-K627 IonicContact OE2-NZ 2.93Å; E624-K627 PolarHBondContact OE2-NZ 3.26Å |
| 628 | C | 81.3 | Confident | 90.3 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 179.5 | -56 | 0 | 0 | 0 | 0 | 112.2 | A599 E624 A625 | A599-C628 HydrophobicContact CB-CB 3.68Å; E624-C628 PolarHBondContact O-N 2.94Å; E624-C628 VanDerWaalsContact O-N 3.12Å; E624-C628 PolarHBondContact O-SG 3.14Å; A625-C628 PolarHBondContact O-N 3.26Å |
| 629 | N | 82.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | trans | -141.8 | 89.1 | 178.7 | -167 | -14.8 | 0 | 0 | 0 | 112.6 | A599 A625 L626 E631 H632 I635 | A599-N629 HydrophobicContact CB-CB 3.56Å; A625-N629 PolarHBondContact O-N 3.49Å; L626-N629 CarbonylContact O-C 3.55Å; N629-E631 VanDerWaalsContact C-N 3.3Å; N629-E631 PolarHBondContact O-N 3.18Å; N629-E631 PolarHBondContact OD1-N 2.78Å; N629-H632 HydrophobicContact CB-CB 4.4Å; N629-H632 PolarHBondContact OD1-N 3.39Å; N629-I635 HydrophobicContact CB-CD1 4.47Å | ||
| 630 | Y | 86.4 | Confident | 90.4 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21 | -178.1 | -168.6 | -98.2 | 0 | 0 | 0 | 114.2 | L626 W636 R658 | L626-Y630 WeakPolarHBondContact O-CA 3.47Å; L626-Y630 PolarHBondContact O-N 3.01Å; Y630-W636 AromaticContact CD2-CZ2 3.74Å; Y630-W636 HydrophobicContact CD2-CZ2 3.74Å; Y630-W636 HydrophobicContact CE1-CZ2 4.47Å; Y630-W636 AromaticContact CE2-CH2 3.93Å; Y630-W636 HydrophobicContact CE2-CH2 3.93Å; Y630-W636 AromaticContact CE2-CZ2 3.34Å; Y630-W636 HydrophobicContact CE2-CZ2 3.34Å; Y630-W636 HydrophobicContact CG-CZ2 4.45Å; Y630-W636 AromaticContact CZ-CZ2 3.71Å; Y630-W636 PolarHBondContact O-NE1 3.02Å; Y630-R658 HydrophobicContact CE1-CG 4.4Å |
| 631 | E | 86.9 | Confident | 90.4 | Very high | 115 Ų | 115 | 51 Ų | 51 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -10.3 | -174.7 | -63.1 | -60.8 | 151 | 0 | 0 | 113 | N629 W633 R658 L662 | N629-E631 VanDerWaalsContact C-N 3.3Å; N629-E631 PolarHBondContact O-N 3.18Å; N629-E631 PolarHBondContact OD1-N 2.78Å; E631-W633 PolarHBondContact O-N 3.19Å; E631-R658 IonicContact OE1-CZ 2.76Å; E631-R658 IonicContact OE1-NH2 2.79Å; E631-R658 PolarHBondContact OE1-NH2 3.35Å; E631-R658 IonicContact OE2-CZ 2.8Å; E631-R658 IonicContact OE2-NH2 3.86Å; E631-R658 PolarHBondContact OE2-NH2 3.37Å; E631-L662 VanDerWaalsContact OE2-CD2 3.27Å; E631-L662 WeakPolarHBondContact OE2-CD2 3.38Å |
| 632 | H | 86.6 | Confident | 90.5 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | trans | -81.6 | 109.5 | -176 | -164.7 | 79.9 | 0 | 0 | 0 | 111.9 | N629 Q634 I635 | N629-H632 HydrophobicContact CB-CB 4.4Å; N629-H632 PolarHBondContact OD1-N 3.39Å; H632-Q634 VanDerWaalsContact C-N 3.34Å; H632-Q634 PolarHBondContact CD2-OE1 2.91Å; H632-Q634 PolarHBondContact CE1-OE1 3.06Å; H632-Q634 VanDerWaalsContact NE2-CD 3.25Å; H632-Q634 PolarHBondContact NE2-OE1 3.47Å; H632-Q634 PolarHBondContact O-N 3.35Å; H632-I635 HydrophobicContact CB-CD1 4.06Å; H632-I635 PolarHBondContact O-N 2.82Å | ||
| 633 | W | 90.5 | Very high | 90.5 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.8 | -30.5 | -173.3 | 70.3 | -91.5 | 0 | 0 | 0 | 113.9 | E631 I635 W636 E637 L659 L662 R663 | E631-W633 PolarHBondContact O-N 3.19Å; W633-I635 VanDerWaalsContact C-N 3.31Å; W633-I635 PolarHBondContact O-N 3.34Å; W633-W636 WeakPolarHBondContact O-CB 3.31Å; W633-W636 PolarHBondContact O-N 3.42Å; W633-E637 VanDerWaalsContact CZ3-OE2 3.24Å; W633-E637 WeakPolarHBondContact CZ3-OE2 3.02Å; W633-E637 PolarHBondContact O-N 2.92Å; W633-L659 HydrophobicContact CB-CD2 4.44Å; W633-L659 WeakPolarHBondContact O-CD2 3.43Å; W633-L662 HydrophobicContact CB-CB 4.21Å; W633-L662 HydrophobicContact CB-CD1 4.09Å; W633-R663 HydrophobicContact CB-CG 4.32Å; W633-R663 HydrophobicContact CG-CG 4.35Å |
| 634 | Q | 90.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.4 | -32.8 | 178.5 | -64.9 | 100.5 | -50.8 | 0 | 0 | 112.9 | H632 W636 E637 N638 | H632-Q634 VanDerWaalsContact C-N 3.34Å; H632-Q634 PolarHBondContact CD2-OE1 2.91Å; H632-Q634 PolarHBondContact CE1-OE1 3.06Å; H632-Q634 VanDerWaalsContact NE2-CD 3.25Å; H632-Q634 PolarHBondContact NE2-OE1 3.47Å; H632-Q634 PolarHBondContact O-N 3.35Å; Q634-W636 VanDerWaalsContact C-N 3.35Å; Q634-E637 PolarHBondContact O-N 3.4Å; Q634-N638 PolarHBondContact O-N 2.9Å; Q634-N638 VanDerWaalsContact O-N 3.11Å |
| 635 | I | 91.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 175.9 | -67.3 | 164.3 | 0 | 0 | 0 | 109.2 | N603 L622 A625 L626 N629 H632 W633 E637 N638 F639 | N603-I635 HydrophobicContact CB-CD1 4.35Å; N603-I635 HydrophobicContact CB-CG1 3.91Å; L622-I635 HydrophobicContact CD2-CG2 3.94Å; A625-I635 HydrophobicContact CB-CD1 4.07Å; A625-I635 HydrophobicContact CB-CG1 4.41Å; A625-I635 HydrophobicContact CB-CG2 3.81Å; L626-I635 HydrophobicContact CD2-CB 4.02Å; L626-I635 HydrophobicContact CD2-CG2 3.39Å; L626-I635 HydrophobicContact CG-CG2 3.56Å; N629-I635 HydrophobicContact CB-CD1 4.47Å; H632-I635 HydrophobicContact CB-CD1 4.06Å; H632-I635 PolarHBondContact O-N 2.82Å; W633-I635 VanDerWaalsContact C-N 3.31Å; W633-I635 PolarHBondContact O-N 3.34Å; I635-E637 VanDerWaalsContact C-N 3.31Å; I635-E637 PolarHBondContact O-N 2.74Å; I635-N638 PolarHBondContact O-N 3.45Å; I635-F639 VanDerWaalsContact O-CB 3.28Å; I635-F639 WeakPolarHBondContact O-CB 3.35Å; I635-F639 PolarHBondContact O-N 2.98Å |
| 636 | W | 94.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.057 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | 175.6 | -76.4 | 106 | 0 | 0 | 0 | 113.3 | L626 Y630 W633 Q634 F639 I640 A655 R658 L659 L662 | L626-W636 HydrophobicContact CD1-CD2 4.2Å; L626-W636 HydrophobicContact CD1-CE3 3.92Å; L626-W636 HydrophobicContact CD1-CH2 3.77Å; L626-W636 HydrophobicContact CD1-CZ2 4.03Å; L626-W636 HydrophobicContact CD1-CZ3 3.71Å; L626-W636 HydrophobicContact CD2-CD2 3.62Å; L626-W636 HydrophobicContact CD2-CE3 4.21Å; L626-W636 HydrophobicContact CD2-CG 3.9Å; L626-W636 HydrophobicContact CD2-CH2 4.31Å; L626-W636 HydrophobicContact CD2-CZ2 3.71Å; L626-W636 HydrophobicContact CG-CZ2 4.37Å; Y630-W636 AromaticContact CD2-CZ2 3.74Å; Y630-W636 HydrophobicContact CD2-CZ2 3.74Å; Y630-W636 HydrophobicContact CE1-CZ2 4.47Å; Y630-W636 AromaticContact CE2-CH2 3.93Å; Y630-W636 HydrophobicContact CE2-CH2 3.93Å; Y630-W636 AromaticContact CE2-CZ2 3.34Å; Y630-W636 HydrophobicContact CE2-CZ2 3.34Å; Y630-W636 HydrophobicContact CG-CZ2 4.45Å; Y630-W636 AromaticContact CZ-CZ2 3.71Å; Y630-W636 PolarHBondContact O-NE1 3.02Å; W633-W636 WeakPolarHBondContact O-CB 3.31Å; W633-W636 PolarHBondContact O-N 3.42Å; Q634-W636 VanDerWaalsContact C-N 3.35Å; W636-F639 AromaticContact CE3-CD1 3.9Å; W636-F639 HydrophobicContact CE3-CD1 3.9Å; W636-F639 AromaticContact CZ3-CD1 3.81Å; W636-F639 HydrophobicContact CZ3-CD1 3.81Å; W636-F639 HydrophobicContact CZ3-CE1 4.04Å; W636-F639 PolarHBondContact O-N 3Å; W636-I640 PolarHBondContact O-N 3.43Å; W636-A655 HydrophobicContact CE3-CB 3.71Å; W636-A655 HydrophobicContact CZ3-CB 3.92Å; W636-R658 HydrophobicContact CD2-CB 4.16Å; W636-R658 HydrophobicContact CD2-CG 3.92Å; W636-R658 VanDerWaalsContact CE2-CG 3.47Å; W636-R658 HydrophobicContact CE3-CB 4.33Å; W636-R658 HydrophobicContact CG-CG 4.33Å; W636-R658 HydrophobicContact CH2-CB 4.45Å; W636-R658 HydrophobicContact CH2-CG 4.39Å; W636-R658 HydrophobicContact CZ2-CB 4.29Å; W636-R658 HydrophobicContact CZ2-CG 3.76Å; W636-R658 HydrophobicContact CZ3-CB 4.47Å; W636-L659 HydrophobicContact CB-CD1 4.28Å; W636-L659 HydrophobicContact CB-CD2 3.46Å; W636-L659 VanDerWaalsContact CB-CD2 3.46Å; W636-L659 HydrophobicContact CB-CG 3.7Å; W636-L662 VanDerWaalsContact CD1-CD1 3.48Å; W636-L662 HydrophobicContact CG-CD1 4.34Å |
| 637 | E | 92.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | 175.9 | -171.2 | 173.7 | -132 | 0 | 0 | 111.3 | W633 Q634 I635 F639 I640 V641 | W633-E637 VanDerWaalsContact CZ3-OE2 3.24Å; W633-E637 WeakPolarHBondContact CZ3-OE2 3.02Å; W633-E637 PolarHBondContact O-N 2.92Å; Q634-E637 PolarHBondContact O-N 3.4Å; I635-E637 VanDerWaalsContact C-N 3.31Å; I635-E637 PolarHBondContact O-N 2.74Å; E637-F639 VanDerWaalsContact C-N 3.35Å; E637-I640 VanDerWaalsContact O-CG2 3.3Å; E637-I640 WeakPolarHBondContact O-CG2 3.3Å; E637-V641 WeakPolarHBondContact O-CG2 3.46Å; E637-V641 PolarHBondContact O-N 3.04Å |
| 638 | N | 93.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 172 | -72 | -24.7 | 0 | 0 | 0 | 111.7 | N603 L622 Q634 I635 V641 V642 | N603-N638 PolarHBondContact OD1-ND2 3.26Å; N603-N638 VanDerWaalsContact OD1-ND2 3.17Å; L622-N638 HydrophobicContact CD1-CB 4.19Å; L622-N638 HydrophobicContact CD2-CB 3.72Å; Q634-N638 PolarHBondContact O-N 2.9Å; Q634-N638 VanDerWaalsContact O-N 3.11Å; I635-N638 PolarHBondContact O-N 3.45Å; N638-V641 PolarHBondContact O-N 3.03Å; N638-V642 WeakPolarHBondContact O-CG2 3.39Å; N638-V642 PolarHBondContact O-N 3.01Å |
| 639 | F | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | -178.1 | -176.5 | -105.4 | 0 | 0 | 0 | 112.8 | F619 L622 Q623 L626 I635 W636 E637 V642 S643 E651 A655 | F619-F639 HydrophobicContact CD2-CD2 4.4Å; F619-F639 AromaticContact CD2-CE2 3.83Å; F619-F639 HydrophobicContact CD2-CE2 3.83Å; F619-F639 HydrophobicContact CD2-CZ 4.47Å; F619-F639 HydrophobicContact CE2-CD2 4.42Å; F619-F639 AromaticContact CE2-CE2 3.51Å; F619-F639 HydrophobicContact CE2-CE2 3.51Å; F619-F639 AromaticContact CE2-CZ 3.73Å; F619-F639 HydrophobicContact CE2-CZ 3.73Å; F619-F639 HydrophobicContact CZ-CE2 4.16Å; F619-F639 HydrophobicContact CZ-CZ 4.22Å; L622-F639 HydrophobicContact CB-CB 4.36Å; L622-F639 HydrophobicContact CB-CD2 3.72Å; Q623-F639 HydrophobicContact CG-CE2 3.76Å; Q623-F639 HydrophobicContact CG-CZ 4.4Å; L626-F639 HydrophobicContact CD1-CB 4.05Å; L626-F639 HydrophobicContact CD1-CD1 3.86Å; L626-F639 HydrophobicContact CD1-CD2 3.87Å; L626-F639 HydrophobicContact CD1-CE1 4.26Å; L626-F639 HydrophobicContact CD1-CE2 4.26Å; L626-F639 HydrophobicContact CD1-CG 3.64Å; L626-F639 HydrophobicContact CD1-CZ 4.44Å; I635-F639 VanDerWaalsContact O-CB 3.28Å; I635-F639 WeakPolarHBondContact O-CB 3.35Å; I635-F639 PolarHBondContact O-N 2.98Å; W636-F639 AromaticContact CE3-CD1 3.9Å; W636-F639 HydrophobicContact CE3-CD1 3.9Å; W636-F639 AromaticContact CZ3-CD1 3.81Å; W636-F639 HydrophobicContact CZ3-CD1 3.81Å; W636-F639 HydrophobicContact CZ3-CE1 4.04Å; W636-F639 PolarHBondContact O-N 3Å; E637-F639 VanDerWaalsContact C-N 3.35Å; F639-V642 PolarHBondContact O-N 3.2Å; F639-S643 VanDerWaalsContact O-CB 3.28Å; F639-S643 WeakPolarHBondContact O-CB 3.46Å; F639-S643 PolarHBondContact O-N 2.89Å; F639-S643 PolarHBondContact O-OG 3.16Å; F639-E651 HydrophobicContact CE1-CB 3.97Å; F639-E651 HydrophobicContact CZ-CB 3.88Å; F639-E651 HydrophobicContact CZ-CG 4.35Å; F639-A655 HydrophobicContact CD1-CB 3.72Å; F639-A655 HydrophobicContact CE1-CB 4.15Å |
| 640 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 179.8 | -165.7 | 171.6 | 0 | 0 | 0 | 111.6 | W636 E637 S643 I644 A652 A655 Y656 L659 I671 | W636-I640 PolarHBondContact O-N 3.43Å; E637-I640 VanDerWaalsContact O-CG2 3.3Å; E637-I640 WeakPolarHBondContact O-CG2 3.3Å; I640-S643 PolarHBondContact O-N 2.91Å; I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.02Å; I640-I644 PolarHBondContact O-N 3.3Å; I640-A652 WeakPolarHBondContact CD1-O 3.16Å; I640-A652 HydrophobicContact CG1-CB 4.28Å; I640-A655 HydrophobicContact CB-CB 3.81Å; I640-A655 HydrophobicContact CD1-CB 4.31Å; I640-A655 HydrophobicContact CG1-CB 4.06Å; I640-Y656 HydrophobicContact CD1-CD2 3.56Å; I640-Y656 HydrophobicContact CD1-CG 3.98Å; I640-L659 HydrophobicContact CB-CD1 4.31Å; I640-L659 HydrophobicContact CD1-CD1 4.38Å; I640-L659 HydrophobicContact CG2-CD1 3.78Å; I640-I671 HydrophobicContact CD1-CD1 4.03Å; I640-I671 HydrophobicContact CD1-CG2 3.85Å; I640-I671 HydrophobicContact CG1-CD1 4.09Å; I640-I671 HydrophobicContact CG1-CG2 4.18Å; I640-I671 HydrophobicContact CG2-CD1 3.87Å |
| 641 | V | 93.7 | Very high | 92.3 | Very high | 71 Ų | 71 | 37.8 Ų | 37.8 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | E637 N638 S643 I644 D645 | E637-V641 WeakPolarHBondContact O-CG2 3.46Å; E637-V641 PolarHBondContact O-N 3.04Å; N638-V641 PolarHBondContact O-N 3.03Å; V641-S643 VanDerWaalsContact C-N 3.35Å; V641-S643 PolarHBondContact O-N 3.2Å; V641-I644 PolarHBondContact O-N 3.13Å; V641-D645 WeakPolarHBondContact O-CB 3.36Å; V641-D645 PolarHBondContact O-N 2.95Å |
| 642 | V | 94.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.9 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | I610 A618 F619 L622 N638 F639 D645 I646 | I610-V642 HydrophobicContact CD1-CG2 3.48Å; I610-V642 VanDerWaalsContact CD1-CG2 3.48Å; I610-V642 HydrophobicContact CG1-CG2 3.62Å; A618-V642 HydrophobicContact CB-CG1 4.16Å; A618-V642 HydrophobicContact CB-CG2 4.39Å; F619-V642 HydrophobicContact CB-CG1 3.84Å; L622-V642 HydrophobicContact CD1-CB 4.06Å; L622-V642 HydrophobicContact CD1-CG1 4.49Å; L622-V642 HydrophobicContact CD1-CG2 3.84Å; N638-V642 WeakPolarHBondContact O-CG2 3.39Å; N638-V642 PolarHBondContact O-N 3.01Å; F639-V642 PolarHBondContact O-N 3.2Å; V642-D645 PolarHBondContact O-N 3.06Å; V642-I646 HydrophobicContact CG1-CD1 3.82Å; V642-I646 HydrophobicContact CG1-CG1 4.47Å; V642-I646 WeakPolarHBondContact O-CG1 3.32Å; V642-I646 PolarHBondContact O-N 3.13Å |
| 643 | S | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | F619 F639 I640 V641 D645 I646 G647 D648 | F619-S643 WeakPolarHBondContact CE2-OG 3.35Å; F639-S643 VanDerWaalsContact O-CB 3.28Å; F639-S643 WeakPolarHBondContact O-CB 3.46Å; F639-S643 PolarHBondContact O-N 2.89Å; F639-S643 PolarHBondContact O-OG 3.16Å; I640-S643 PolarHBondContact O-N 2.91Å; V641-S643 VanDerWaalsContact C-N 3.35Å; V641-S643 PolarHBondContact O-N 3.2Å; S643-D645 VanDerWaalsContact C-N 3.33Å; S643-I646 PolarHBondContact O-N 3.41Å; S643-G647 PolarHBondContact O-N 3.43Å; S643-D648 PolarHBondContact O-N 2.96Å |
| 644 | I | 93.2 | Very high | 93.3 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.2 | -68 | -68.1 | 0 | 0 | 0 | 110.9 | I640 V641 I646 G647 F649 A652 I671 I674 L675 | I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.02Å; I640-I644 PolarHBondContact O-N 3.3Å; V641-I644 PolarHBondContact O-N 3.13Å; I644-I646 VanDerWaalsContact C-N 3.29Å; I644-I646 PolarHBondContact O-N 3.27Å; I644-G647 PolarHBondContact O-N 3.41Å; I644-F649 HydrophobicContact CD1-CD1 4.43Å; I644-A652 HydrophobicContact CD1-CB 3.57Å; I644-A652 HydrophobicContact CG1-CB 3.9Å; I644-I671 HydrophobicContact CD1-CG2 4.01Å; I644-I671 HydrophobicContact CG1-CG2 4Å; I644-I674 HydrophobicContact CG2-CB 4.3Å; I644-I674 HydrophobicContact CG2-CD1 3.92Å; I644-I674 HydrophobicContact CG2-CG2 3.67Å; I644-L675 HydrophobicContact CD1-CD1 4.38Å; I644-L675 HydrophobicContact CD1-CD2 3.51Å; I644-L675 HydrophobicContact CD1-CG 3.69Å |
| 645 | D | 90.9 | Very high | 93.6 | Very high | 86 Ų | 86 | 26.9 Ų | 26.9 | 46% | 0.46 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.2 | -27.4 | -178.5 | -99.4 | 18.4 | 0 | 0 | 0 | 114.6 | K615 V641 V642 S643 | K615-D645 HydrophobicContact CD-CB 4.11Å; K615-D645 WeakPolarHBondContact CE-OD2 3.42Å; K615-D645 IonicContact NZ-OD1 2.65Å; K615-D645 IonicContact NZ-OD2 2.77Å; K615-D645 PolarHBondContact NZ-OD2 3.3Å; V641-D645 WeakPolarHBondContact O-CB 3.36Å; V641-D645 PolarHBondContact O-N 2.95Å; V642-D645 PolarHBondContact O-N 3.06Å; S643-D645 VanDerWaalsContact C-N 3.33Å |
| 646 | I | 91.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 21% | 0.21 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -87.8 | -21.2 | 174.1 | -68.3 | 170.6 | 0 | 0 | 0 | 111.2 | K615 F619 V642 S643 I644 | K615-I646 HydrophobicContact CB-CD1 4.23Å; K615-I646 HydrophobicContact CB-CG1 3.85Å; K615-I646 WeakPolarHBondContact O-CD1 3.33Å; F619-I646 HydrophobicContact CB-CD1 3.33Å; F619-I646 HydrophobicContact CD2-CD1 4.17Å; F619-I646 HydrophobicContact CG-CD1 3.83Å; V642-I646 HydrophobicContact CG1-CD1 3.82Å; V642-I646 HydrophobicContact CG1-CG1 4.47Å; V642-I646 WeakPolarHBondContact O-CG1 3.32Å; V642-I646 PolarHBondContact O-N 3.13Å; S643-I646 PolarHBondContact O-N 3.41Å; I644-I646 VanDerWaalsContact C-N 3.29Å; I644-I646 PolarHBondContact O-N 3.27Å |
| 647 | G | 90.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 20.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S643 I644 F649 D685 S686 | S643-G647 PolarHBondContact O-N 3.43Å; I644-G647 PolarHBondContact O-N 3.41Å; G647-F649 VanDerWaalsContact C-N 3.32Å; G647-F649 WeakPolarHBondContact O-CD2 3.2Å; G647-F649 WeakPolarHBondContact O-CE2 3.46Å; G647-F649 PolarHBondContact O-N 2.93Å; G647-F649 VanDerWaalsContact O-N 3.16Å; G647-D685 WeakPolarHBondContact O-CA 3.38Å; G647-D685 VanDerWaalsContact O-CB 3.25Å; G647-D685 WeakPolarHBondContact O-CB 3.31Å; G647-S686 PolarHBondContact O-N 2.76Å |
| 648 | D | 92.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | trans | -83.8 | 80.4 | 168 | -164.9 | -32.3 | 0 | 0 | 0 | 109.6 | F619 S643 A650 E651 A652 | F619-D648 HydrophobicContact CE2-CB 4.46Å; F619-D648 HydrophobicContact CZ-CB 4.45Å; S643-D648 PolarHBondContact O-N 2.96Å; D648-A650 VanDerWaalsContact C-N 3.28Å; D648-A650 PolarHBondContact O-N 3.45Å; D648-A650 PolarHBondContact OD1-N 3.42Å; D648-E651 PolarHBondContact OD1-N 2.96Å; D648-A652 PolarHBondContact O-N 3.33Å | ||
| 649 | F | 93.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 24 Ų | 24 | 6% | 0.057 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.6 | -25.3 | -174.9 | -54 | -60.1 | 0 | 0 | 0 | 112.9 | I644 G647 I653 L675 A678 L683 D685 A691 L694 | I644-F649 HydrophobicContact CD1-CD1 4.43Å; G647-F649 VanDerWaalsContact C-N 3.32Å; G647-F649 WeakPolarHBondContact O-CD2 3.2Å; G647-F649 WeakPolarHBondContact O-CE2 3.46Å; G647-F649 PolarHBondContact O-N 2.93Å; G647-F649 VanDerWaalsContact O-N 3.16Å; F649-I653 VanDerWaalsContact O-CG1 3.29Å; F649-I653 WeakPolarHBondContact O-CG1 3.38Å; F649-I653 PolarHBondContact O-N 2.91Å; F649-I653 VanDerWaalsContact O-N 3.07Å; F649-L675 HydrophobicContact CB-CD2 3.99Å; F649-L675 HydrophobicContact CD1-CD2 3.93Å; F649-L675 HydrophobicContact CG-CD2 4.4Å; F649-A678 HydrophobicContact CD1-CB 3.99Å; F649-A678 HydrophobicContact CD2-CB 4.11Å; F649-A678 HydrophobicContact CE1-CB 3.61Å; F649-A678 HydrophobicContact CE2-CB 3.75Å; F649-A678 HydrophobicContact CG-CB 4.22Å; F649-A678 HydrophobicContact CZ-CB 3.48Å; F649-A678 VanDerWaalsContact CZ-CB 3.48Å; F649-L683 HydrophobicContact CE2-CB 4.44Å; F649-D685 HydrophobicContact CD2-CB 4.21Å; F649-A691 HydrophobicContact CD2-CB 3.89Å; F649-A691 HydrophobicContact CE2-CB 4.26Å; F649-L694 HydrophobicContact CB-CD1 3.69Å |
| 650 | A | 92.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.6 | -46.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D648 I653 K654 L694 | D648-A650 VanDerWaalsContact C-N 3.28Å; D648-A650 PolarHBondContact O-N 3.45Å; D648-A650 PolarHBondContact OD1-N 3.42Å; A650-I653 PolarHBondContact O-N 3.09Å; A650-K654 WeakPolarHBondContact O-CG 3.44Å; A650-K654 PolarHBondContact O-N 3.03Å; A650-L694 HydrophobicContact CB-CD1 4.11Å; A650-L694 HydrophobicContact CB-CD2 3.89Å |
| 651 | E | 93.4 | Very high | 93.6 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 21% | 0.21 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 174.9 | -67.3 | -53.4 | 130.8 | 0 | 0 | 111.8 | F619 F639 D648 I653 K654 A655 | F619-E651 HydrophobicContact CE2-CB 4.42Å; F619-E651 HydrophobicContact CZ-CB 4.46Å; F619-E651 HydrophobicContact CZ-CG 4.2Å; F639-E651 HydrophobicContact CE1-CB 3.97Å; F639-E651 HydrophobicContact CZ-CB 3.88Å; F639-E651 HydrophobicContact CZ-CG 4.35Å; D648-E651 PolarHBondContact OD1-N 2.96Å; E651-I653 PolarHBondContact O-N 2.72Å; E651-K654 WeakPolarHBondContact O-CB 3.38Å; E651-K654 PolarHBondContact O-N 3.41Å; E651-K654 IonicContact OE1-NZ 3.75Å; E651-K654 PolarHBondContact OE1-NZ 3.11Å; E651-K654 IonicContact OE2-NZ 3.35Å; E651-A655 WeakPolarHBondContact O-CB 3.38Å; E651-A655 PolarHBondContact O-N 2.87Å |
| 652 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | I640 I644 D648 A655 Y656 L675 | I640-A652 WeakPolarHBondContact CD1-O 3.16Å; I640-A652 HydrophobicContact CG1-CB 4.28Å; I644-A652 HydrophobicContact CD1-CB 3.57Å; I644-A652 HydrophobicContact CG1-CB 3.9Å; D648-A652 PolarHBondContact O-N 3.33Å; A652-A655 PolarHBondContact O-N 3.17Å; A652-Y656 PolarHBondContact O-N 3.05Å; A652-L675 HydrophobicContact CB-CD2 4.13Å |
| 653 | I | 94.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 175.5 | -70.8 | 165.7 | 0 | 0 | 0 | 110.9 | F649 A650 E651 Y656 H657 L675 L694 K697 L698 L701 | F649-I653 VanDerWaalsContact O-CG1 3.29Å; F649-I653 WeakPolarHBondContact O-CG1 3.38Å; F649-I653 PolarHBondContact O-N 2.91Å; F649-I653 VanDerWaalsContact O-N 3.07Å; A650-I653 PolarHBondContact O-N 3.09Å; E651-I653 PolarHBondContact O-N 2.72Å; I653-Y656 PolarHBondContact O-N 3.41Å; I653-H657 PolarHBondContact O-CD2 3.32Å; I653-H657 VanDerWaalsContact O-CD2 3.29Å; I653-H657 PolarHBondContact O-N 2.9Å; I653-H657 VanDerWaalsContact O-N 3.15Å; I653-L675 HydrophobicContact CG1-CD1 4.05Å; I653-L675 HydrophobicContact CG1-CD2 4.1Å; I653-L694 HydrophobicContact CD1-CB 4.17Å; I653-L694 HydrophobicContact CD1-CD1 4.46Å; I653-K697 HydrophobicContact CG2-CB 4.32Å; I653-L698 HydrophobicContact CD1-CB 4.1Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; I653-L698 HydrophobicContact CG1-CD1 4.26Å; I653-L701 HydrophobicContact CG1-CD2 4.43Å; I653-L701 HydrophobicContact CG2-CB 4.38Å; I653-L701 HydrophobicContact CG2-CD2 4.21Å |
| 654 | K | 94.8 | Very high | 92.5 | Very high | 104 Ų | 104 | 38.3 Ų | 38.3 | 45% | 0.452 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.5 | -68.9 | 174.4 | -175.3 | 173.8 | 0 | 111.4 | A650 E651 Y656 H657 R658 | A650-K654 WeakPolarHBondContact O-CG 3.44Å; A650-K654 PolarHBondContact O-N 3.03Å; E651-K654 WeakPolarHBondContact O-CB 3.38Å; E651-K654 PolarHBondContact O-N 3.41Å; E651-K654 IonicContact OE1-NZ 3.75Å; E651-K654 PolarHBondContact OE1-NZ 3.11Å; E651-K654 IonicContact OE2-NZ 3.35Å; K654-Y656 VanDerWaalsContact C-N 3.29Å; K654-Y656 PolarHBondContact O-N 3.22Å; K654-H657 WeakPolarHBondContact O-CB 3.45Å; K654-H657 PolarHBondContact O-N 3.38Å; K654-R658 PolarHBondContact O-N 3.33Å |
| 655 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | W636 F639 I640 E651 A652 R658 L659 | W636-A655 HydrophobicContact CE3-CB 3.71Å; W636-A655 HydrophobicContact CZ3-CB 3.92Å; F639-A655 HydrophobicContact CD1-CB 3.72Å; F639-A655 HydrophobicContact CE1-CB 4.15Å; I640-A655 HydrophobicContact CB-CB 3.81Å; I640-A655 HydrophobicContact CD1-CB 4.31Å; I640-A655 HydrophobicContact CG1-CB 4.06Å; E651-A655 WeakPolarHBondContact O-CB 3.38Å; E651-A655 PolarHBondContact O-N 2.87Å; A652-A655 PolarHBondContact O-N 3.17Å; A655-R658 PolarHBondContact O-N 3.46Å; A655-L659 WeakPolarHBondContact O-CG 3.47Å; A655-L659 PolarHBondContact O-N 3.01Å |
| 656 | Y | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 177.1 | -153.1 | -64 | 0 | 0 | 0 | 111.6 | I640 A652 I653 K654 R658 L659 M660 Y666 D668 I671 L672 L701 V705 | I640-Y656 HydrophobicContact CD1-CD2 3.56Å; I640-Y656 HydrophobicContact CD1-CG 3.98Å; A652-Y656 PolarHBondContact O-N 3.05Å; I653-Y656 PolarHBondContact O-N 3.41Å; K654-Y656 VanDerWaalsContact C-N 3.29Å; K654-Y656 PolarHBondContact O-N 3.22Å; Y656-R658 VanDerWaalsContact C-N 3.26Å; Y656-R658 PolarHBondContact O-N 3.28Å; Y656-L659 PolarHBondContact O-N 3.4Å; Y656-M660 HydrophobicContact CD1-CG 3.95Å; Y656-M660 HydrophobicContact CD1-SD 3.84Å; Y656-M660 HydrophobicContact CE1-CG 4.06Å; Y656-M660 HydrophobicContact CE1-SD 3.97Å; Y656-M660 WeakPolarHBondContact O-CG 3.45Å; Y656-M660 PolarHBondContact O-N 3.05Å; Y656-Y666 HydrophobicContact CD1-CD1 4.16Å; Y656-Y666 AromaticContact CD1-CE1 3.95Å; Y656-Y666 HydrophobicContact CD1-CE1 3.95Å; Y656-Y666 HydrophobicContact CD2-CE1 4.21Å; Y656-Y666 AromaticContact CE1-CD1 3.87Å; Y656-Y666 HydrophobicContact CE1-CD1 3.87Å; Y656-Y666 AromaticContact CE1-CE1 3.78Å; Y656-Y666 HydrophobicContact CE1-CE1 3.78Å; Y656-Y666 HydrophobicContact CE2-CE1 4.04Å; Y656-Y666 HydrophobicContact CG-CE1 4.17Å; Y656-Y666 AromaticContact CZ-CE1 3.84Å; Y656-D668 HydrophobicContact CE2-CB 4.27Å; Y656-D668 WeakPolarHBondContact CE2-O 3.43Å; Y656-D668 PolarHBondContact OH-N 3.42Å; Y656-D668 PolarHBondContact OH-O 2.89Å; Y656-I671 HydrophobicContact CD2-CG2 3.93Å; Y656-I671 HydrophobicContact CE2-CB 4.31Å; Y656-I671 HydrophobicContact CE2-CG2 4.12Å; Y656-L672 HydrophobicContact CD2-CD2 4.29Å; Y656-L672 HydrophobicContact CE2-CD1 4.41Å; Y656-L672 HydrophobicContact CE2-CD2 3.85Å; Y656-L672 HydrophobicContact CE2-CG 3.73Å; Y656-L672 WeakPolarHBondContact OH-CD1 3.44Å; Y656-L701 HydrophobicContact CD1-CD1 3.72Å; Y656-L701 HydrophobicContact CD1-CD2 4.35Å; Y656-L701 HydrophobicContact CD1-CG 4.48Å; Y656-L701 HydrophobicContact CD2-CD2 4.43Å; Y656-L701 HydrophobicContact CG-CD1 4.07Å; Y656-L701 HydrophobicContact CG-CD2 3.98Å; Y656-V705 HydrophobicContact CD1-CG2 4.34Å; Y656-V705 HydrophobicContact CE1-CG2 3.77Å |
| 657 | H | 94.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 175 | -80.1 | -64.4 | 0 | 0 | 0 | 111.6 | I653 K654 M660 D661 L701 R704 | I653-H657 PolarHBondContact O-CD2 3.32Å; I653-H657 VanDerWaalsContact O-CD2 3.29Å; I653-H657 PolarHBondContact O-N 2.9Å; I653-H657 VanDerWaalsContact O-N 3.15Å; K654-H657 WeakPolarHBondContact O-CB 3.45Å; K654-H657 PolarHBondContact O-N 3.38Å; H657-M660 WeakPolarHBondContact O-CB 3.2Å; H657-M660 PolarHBondContact O-N 3.15Å; H657-D661 PolarHBondContact O-N 3.47Å; H657-D661 VanDerWaalsContact O-N 3.09Å; H657-L701 VanDerWaalsContact CE1-CA 3.44Å; H657-L701 WeakPolarHBondContact CE1-CA 3.06Å; H657-R704 PolarHBondContact ND1-NH1 3.01Å; H657-R704 VanDerWaalsContact ND1-NH1 3.13Å |
| 658 | R | 93.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -40.9 | -178.8 | -171.6 | 56.7 | -175.6 | 176 | 0.7 | 112.6 | Y630 E631 W636 K654 A655 Y656 M660 D661 L662 | Y630-R658 HydrophobicContact CE1-CG 4.4Å; E631-R658 IonicContact OE1-CZ 2.76Å; E631-R658 IonicContact OE1-NH2 2.79Å; E631-R658 PolarHBondContact OE1-NH2 3.35Å; E631-R658 IonicContact OE2-CZ 2.8Å; E631-R658 IonicContact OE2-NH2 3.86Å; E631-R658 PolarHBondContact OE2-NH2 3.37Å; W636-R658 HydrophobicContact CD2-CB 4.16Å; W636-R658 HydrophobicContact CD2-CG 3.92Å; W636-R658 VanDerWaalsContact CE2-CG 3.47Å; W636-R658 HydrophobicContact CE3-CB 4.33Å; W636-R658 HydrophobicContact CG-CG 4.33Å; W636-R658 HydrophobicContact CH2-CB 4.45Å; W636-R658 HydrophobicContact CH2-CG 4.39Å; W636-R658 HydrophobicContact CZ2-CB 4.29Å; W636-R658 HydrophobicContact CZ2-CG 3.76Å; W636-R658 HydrophobicContact CZ3-CB 4.47Å; K654-R658 PolarHBondContact O-N 3.33Å; A655-R658 PolarHBondContact O-N 3.46Å; Y656-R658 VanDerWaalsContact C-N 3.26Å; Y656-R658 PolarHBondContact O-N 3.28Å; R658-M660 VanDerWaalsContact C-N 3.26Å; R658-M660 PolarHBondContact O-N 2.87Å; R658-D661 WeakPolarHBondContact O-CB 3.36Å; R658-D661 PolarHBondContact O-N 3.47Å; R658-L662 HydrophobicContact CG-CD1 4.17Å; R658-L662 HydrophobicContact CG-CG 4.44Å; R658-L662 WeakPolarHBondContact O-CG 3.48Å; R658-L662 PolarHBondContact O-N 3.44Å |
| 659 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -37.1 | 173.9 | -77.8 | 167.3 | 0 | 0 | 0 | 112.1 | W633 W636 I640 A655 Y656 D661 L662 R663 Y666 | W633-L659 HydrophobicContact CB-CD2 4.44Å; W633-L659 WeakPolarHBondContact O-CD2 3.43Å; W636-L659 HydrophobicContact CB-CD1 4.28Å; W636-L659 HydrophobicContact CB-CD2 3.46Å; W636-L659 VanDerWaalsContact CB-CD2 3.46Å; W636-L659 HydrophobicContact CB-CG 3.7Å; I640-L659 HydrophobicContact CB-CD1 4.31Å; I640-L659 HydrophobicContact CD1-CD1 4.38Å; I640-L659 HydrophobicContact CG2-CD1 3.78Å; A655-L659 WeakPolarHBondContact O-CG 3.47Å; A655-L659 PolarHBondContact O-N 3.01Å; Y656-L659 PolarHBondContact O-N 3.4Å; L659-D661 VanDerWaalsContact C-N 3.34Å; L659-L662 PolarHBondContact O-N 3.4Å; L659-R663 WeakPolarHBondContact O-CB 3.35Å; L659-R663 PolarHBondContact O-N 2.77Å; L659-Y666 HydrophobicContact CB-CD1 3.62Å; L659-Y666 HydrophobicContact CB-CD2 4.18Å; L659-Y666 HydrophobicContact CB-CE1 3.68Å; L659-Y666 HydrophobicContact CB-CE2 4.23Å; L659-Y666 HydrophobicContact CB-CG 3.89Å; L659-Y666 HydrophobicContact CD1-CE1 3.85Å; L659-Y666 HydrophobicContact CD1-CE2 3.93Å; L659-Y666 VanDerWaalsContact CD1-CZ 3.47Å; L659-Y666 WeakPolarHBondContact CD1-OH 3.35Å; L659-Y666 HydrophobicContact CG-CE1 4.38Å; L659-Y666 HydrophobicContact CG-CE2 4.46Å |
| 660 | M | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | 172 | -67.6 | 176.1 | 69 | 0 | 0 | 112.3 | Y656 H657 R658 R663 Y666 L701 R704 V705 R708 | Y656-M660 HydrophobicContact CD1-CG 3.95Å; Y656-M660 HydrophobicContact CD1-SD 3.84Å; Y656-M660 HydrophobicContact CE1-CG 4.06Å; Y656-M660 HydrophobicContact CE1-SD 3.97Å; Y656-M660 WeakPolarHBondContact O-CG 3.45Å; Y656-M660 PolarHBondContact O-N 3.05Å; H657-M660 WeakPolarHBondContact O-CB 3.2Å; H657-M660 PolarHBondContact O-N 3.15Å; R658-M660 VanDerWaalsContact C-N 3.26Å; R658-M660 PolarHBondContact O-N 2.87Å; M660-R663 CarbonylContact O-C 3.56Å; M660-R663 VanDerWaalsContact O-O 3.07Å; M660-Y666 HydrophobicContact CG-CD1 4.23Å; M660-L701 HydrophobicContact SD-CD1 4.07Å; M660-R704 HydrophobicContact CE-CB 4.07Å; M660-V705 HydrophobicContact CE-CB 4.46Å; M660-V705 HydrophobicContact CE-CG2 3.92Å; M660-V705 HydrophobicContact SD-CG2 3.53Å; M660-V705 VanDerWaalsContact SD-CG2 3.53Å; M660-R708 HydrophobicContact CE-CG 4.39Å; M660-R708 PolarHBondContact O-NH1 3.44Å |
| 661 | D | 91.8 | Very high | 91.7 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.3 | -37.1 | 178.4 | -65 | -27.5 | 0 | 0 | 0 | 111.9 | H657 R658 L659 R704 R708 | H657-D661 PolarHBondContact O-N 3.47Å; H657-D661 VanDerWaalsContact O-N 3.09Å; R658-D661 WeakPolarHBondContact O-CB 3.36Å; R658-D661 PolarHBondContact O-N 3.47Å; L659-D661 VanDerWaalsContact C-N 3.34Å; D661-R704 IonicContact OD1-CZ 2.98Å; D661-R704 IonicContact OD1-NH1 3.16Å; D661-R704 IonicContact OD1-NH2 3.67Å; D661-R704 PolarHBondContact OD1-NH2 2.81Å; D661-R704 IonicContact OD2-NH1 3.24Å; D661-R704 IonicContact OD2-NH2 3.49Å; D661-R708 IonicContact OD1-NH2 2.88Å |
| 662 | L | 91.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78.4 | -32.7 | 178.3 | -65.5 | 175.5 | 0 | 0 | 0 | 113.2 | E631 W633 W636 R658 L659 | E631-L662 VanDerWaalsContact OE2-CD2 3.27Å; E631-L662 WeakPolarHBondContact OE2-CD2 3.38Å; W633-L662 HydrophobicContact CB-CB 4.21Å; W633-L662 HydrophobicContact CB-CD1 4.09Å; W636-L662 VanDerWaalsContact CD1-CD1 3.48Å; W636-L662 HydrophobicContact CG-CD1 4.34Å; R658-L662 HydrophobicContact CG-CD1 4.17Å; R658-L662 HydrophobicContact CG-CG 4.44Å; R658-L662 WeakPolarHBondContact O-CG 3.48Å; R658-L662 PolarHBondContact O-N 3.44Å; L659-L662 PolarHBondContact O-N 3.4Å |
| 663 | R | 89.4 | Confident | 91.6 | Very high | 96 Ų | 96 | 53 Ų | 53 | 36% | 0.362 | 25% | 0.25 | S | C | . | . | trans | -126.6 | 109.1 | -178.4 | -67.9 | -176.3 | 69 | -170.9 | 0.2 | 109.8 | W633 L659 M660 N665 Y666 | W633-R663 HydrophobicContact CB-CG 4.32Å; W633-R663 HydrophobicContact CG-CG 4.35Å; L659-R663 WeakPolarHBondContact O-CB 3.35Å; L659-R663 PolarHBondContact O-N 2.77Å; M660-R663 CarbonylContact O-C 3.56Å; M660-R663 VanDerWaalsContact O-O 3.07Å; R663-N665 PolarHBondContact O-N 3.1Å; R663-N665 VanDerWaalsContact O-N 3.1Å; R663-Y666 WeakPolarHBondContact O-CB 3.39Å; R663-Y666 PolarHBondContact O-N 3.3Å | ||
| 664 | E | 80.4 | Confident | 91.5 | Very high | 163 Ų | 163 | 56.6 Ų | 56.6 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -39 | -175.2 | -65 | -174.4 | 163.4 | 0 | 0 | 113.4 | R708 | E664-R708 PolarHBondContact O-NH1 3.1Š|
| 665 | N | 82.8 | Confident | 91.4 | Very high | 134 Ų | 134 | 51.7 Ų | 51.7 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104 | 20.4 | -177.6 | -70.5 | -23 | 0 | 0 | 0 | 114.6 | R663 K667 | R663-N665 PolarHBondContact O-N 3.1Å; R663-N665 VanDerWaalsContact O-N 3.1Å; N665-K667 PolarHBondContact O-N 3.17Å |
| 666 | Y | 88.4 | Confident | 91.3 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | trans | -62.3 | 128.3 | 177.4 | -176.7 | -103.4 | 0 | 0 | 0 | 111.3 | Y656 L659 M660 R663 H709 | Y656-Y666 HydrophobicContact CD1-CD1 4.16Å; Y656-Y666 AromaticContact CD1-CE1 3.95Å; Y656-Y666 HydrophobicContact CD1-CE1 3.95Å; Y656-Y666 HydrophobicContact CD2-CE1 4.21Å; Y656-Y666 AromaticContact CE1-CD1 3.87Å; Y656-Y666 HydrophobicContact CE1-CD1 3.87Å; Y656-Y666 AromaticContact CE1-CE1 3.78Å; Y656-Y666 HydrophobicContact CE1-CE1 3.78Å; Y656-Y666 HydrophobicContact CE2-CE1 4.04Å; Y656-Y666 HydrophobicContact CG-CE1 4.17Å; Y656-Y666 AromaticContact CZ-CE1 3.84Å; L659-Y666 HydrophobicContact CB-CD1 3.62Å; L659-Y666 HydrophobicContact CB-CD2 4.18Å; L659-Y666 HydrophobicContact CB-CE1 3.68Å; L659-Y666 HydrophobicContact CB-CE2 4.23Å; L659-Y666 HydrophobicContact CB-CG 3.89Å; L659-Y666 HydrophobicContact CD1-CE1 3.85Å; L659-Y666 HydrophobicContact CD1-CE2 3.93Å; L659-Y666 VanDerWaalsContact CD1-CZ 3.47Å; L659-Y666 WeakPolarHBondContact CD1-OH 3.35Å; L659-Y666 HydrophobicContact CG-CE1 4.38Å; L659-Y666 HydrophobicContact CG-CE2 4.46Å; M660-Y666 HydrophobicContact CG-CD1 4.23Å; R663-Y666 WeakPolarHBondContact O-CB 3.39Å; R663-Y666 PolarHBondContact O-N 3.3Å; Y666-H709 PolarHBondContact O-NE2 3.4Å; Y666-H709 VanDerWaalsContact O-NE2 3.11Å | ||
| 667 | K | 88.5 | Confident | 91.1 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | trans | -149.9 | 128.7 | 168.4 | 67.3 | 179.2 | -165.9 | 167.5 | 0 | 110.3 | N665 D712 | N665-K667 PolarHBondContact O-N 3.17Å; K667-D712 IonicContact NZ-OD2 2.71Å; K667-D712 PolarHBondContact NZ-OD2 3.04Å | ||
| 668 | D | 90.8 | Very high | 91 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -130.3 | 109.1 | 166.5 | -170 | -37.4 | 0 | 0 | 0 | 108.1 | Y656 Q670 I671 L672 | Y656-D668 HydrophobicContact CE2-CB 4.27Å; Y656-D668 WeakPolarHBondContact CE2-O 3.43Å; Y656-D668 PolarHBondContact OH-N 3.42Å; Y656-D668 PolarHBondContact OH-O 2.89Å; D668-Q670 WeakPolarHBondContact OD1-CB 3.33Å; D668-Q670 PolarHBondContact OD1-N 3.44Å; D668-I671 HydrophobicContact CB-CB 4.26Å; D668-I671 HydrophobicContact CB-CD1 4.05Å; D668-I671 HydrophobicContact CB-CG1 4.29Å; D668-I671 PolarHBondContact OD1-N 3.4Å; D668-I671 VanDerWaalsContact OD2-CD1 3.29Å; D668-I671 WeakPolarHBondContact OD2-CD1 3.47Å; D668-L672 WeakPolarHBondContact O-CG 3.25Å | ||
| 669 | V | 90.5 | Very high | 90.8 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.3 | -30.3 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 111 | L672 Q673 E714 I715 | V669-L672 PolarHBondContact O-N 3.37Å; V669-Q673 HydrophobicContact CG1-CG 4.35Å; V669-Q673 VanDerWaalsContact O-CG 3.29Å; V669-Q673 WeakPolarHBondContact O-CG 3.45Å; V669-Q673 PolarHBondContact O-N 2.88Å; V669-E714 HydrophobicContact CG1-CB 3.92Å; V669-E714 HydrophobicContact CG1-CG 3.79Å; V669-I715 HydrophobicContact CG2-CG1 4.5Å |
| 670 | Q | 92.8 | Very high | 90.6 | Very high | 143 Ų | 143 | 59 Ų | 59 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.7 | -44.3 | -178.8 | -62.3 | -179.3 | 6 | 0 | 0 | 110.2 | D668 L672 Q673 I674 | D668-Q670 WeakPolarHBondContact OD1-CB 3.33Å; D668-Q670 PolarHBondContact OD1-N 3.44Å; Q670-L672 VanDerWaalsContact C-N 3.33Å; Q670-L672 PolarHBondContact O-N 3.09Å; Q670-Q673 WeakPolarHBondContact O-CB 3.39Å; Q670-Q673 PolarHBondContact O-N 3.4Å; Q670-I674 WeakPolarHBondContact O-CG1 3.48Å; Q670-I674 PolarHBondContact O-N 2.76Å |
| 671 | I | 93.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175 | -67.5 | 175.5 | 0 | 0 | 0 | 110.9 | I640 I644 Y656 D668 Q673 I674 L675 | I640-I671 HydrophobicContact CD1-CD1 4.03Å; I640-I671 HydrophobicContact CD1-CG2 3.85Å; I640-I671 HydrophobicContact CG1-CD1 4.09Å; I640-I671 HydrophobicContact CG1-CG2 4.18Å; I640-I671 HydrophobicContact CG2-CD1 3.87Å; I644-I671 HydrophobicContact CD1-CG2 4.01Å; I644-I671 HydrophobicContact CG1-CG2 4Å; Y656-I671 HydrophobicContact CD2-CG2 3.93Å; Y656-I671 HydrophobicContact CE2-CB 4.31Å; Y656-I671 HydrophobicContact CE2-CG2 4.12Å; D668-I671 HydrophobicContact CB-CB 4.26Å; D668-I671 HydrophobicContact CB-CD1 4.05Å; D668-I671 HydrophobicContact CB-CG1 4.29Å; D668-I671 PolarHBondContact OD1-N 3.4Å; D668-I671 VanDerWaalsContact OD2-CD1 3.29Å; D668-I671 WeakPolarHBondContact OD2-CD1 3.47Å; I671-Q673 PolarHBondContact O-N 2.88Å; I671-I674 PolarHBondContact O-N 3.23Å; I671-L675 HydrophobicContact CG2-CD1 3.97Å; I671-L675 HydrophobicContact CG2-CG 4.4Å; I671-L675 WeakPolarHBondContact O-CG 3.44Å; I671-L675 PolarHBondContact O-N 2.55Å |
| 672 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.9 | -71.9 | 173.7 | 0 | 0 | 0 | 112.2 | Y656 D668 V669 Q670 L675 V676 L701 L702 V705 I715 | Y656-L672 HydrophobicContact CD2-CD2 4.29Å; Y656-L672 HydrophobicContact CE2-CD1 4.41Å; Y656-L672 HydrophobicContact CE2-CD2 3.85Å; Y656-L672 HydrophobicContact CE2-CG 3.73Å; Y656-L672 WeakPolarHBondContact OH-CD1 3.44Å; D668-L672 WeakPolarHBondContact O-CG 3.25Å; V669-L672 PolarHBondContact O-N 3.37Å; Q670-L672 VanDerWaalsContact C-N 3.33Å; Q670-L672 PolarHBondContact O-N 3.09Å; L672-L675 PolarHBondContact O-N 3.08Å; L672-V676 WeakPolarHBondContact O-CB 3.3Å; L672-V676 WeakPolarHBondContact O-CG2 3.45Å; L672-V676 PolarHBondContact O-N 3.28Å; L672-L701 HydrophobicContact CD2-CD2 3.96Å; L672-L701 HydrophobicContact CD2-CG 4.38Å; L672-L702 HydrophobicContact CD1-CD2 4.15Å; L672-L702 HydrophobicContact CD2-CD2 3.98Å; L672-V705 HydrophobicContact CD1-CG1 4.02Å; L672-I715 HydrophobicContact CD1-CG1 4.33Å |
| 673 | Q | 93.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.7 | -75.8 | 172.9 | -6.2 | 0 | 0 | 111.5 | V669 Q670 I671 V676 R677 Q718 | V669-Q673 HydrophobicContact CG1-CG 4.35Å; V669-Q673 VanDerWaalsContact O-CG 3.29Å; V669-Q673 WeakPolarHBondContact O-CG 3.45Å; V669-Q673 PolarHBondContact O-N 2.88Å; Q670-Q673 WeakPolarHBondContact O-CB 3.39Å; Q670-Q673 PolarHBondContact O-N 3.4Å; I671-Q673 PolarHBondContact O-N 2.88Å; Q673-V676 PolarHBondContact O-N 2.94Å; Q673-R677 VanDerWaalsContact O-CB 3.23Å; Q673-R677 WeakPolarHBondContact O-CB 3.3Å; Q673-R677 PolarHBondContact O-N 3.29Å; Q673-Q718 HydrophobicContact CG-CG 3.91Å |
| 674 | I | 93.6 | Very high | 90 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.1 | -63.8 | 164 | 0 | 0 | 0 | 110.6 | I644 Q670 I671 R677 A678 | I644-I674 HydrophobicContact CG2-CB 4.3Å; I644-I674 HydrophobicContact CG2-CD1 3.92Å; I644-I674 HydrophobicContact CG2-CG2 3.67Å; Q670-I674 WeakPolarHBondContact O-CG1 3.48Å; Q670-I674 PolarHBondContact O-N 2.76Å; I671-I674 PolarHBondContact O-N 3.23Å; I674-R677 PolarHBondContact O-N 2.95Å; I674-A678 WeakPolarHBondContact O-CB 3.29Å; I674-A678 PolarHBondContact O-N 3.17Å |
| 675 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 177.8 | -73 | 172 | 0 | 0 | 0 | 112.3 | I644 F649 A652 I653 I671 L672 A678 V679 L698 L701 | I644-L675 HydrophobicContact CD1-CD1 4.38Å; I644-L675 HydrophobicContact CD1-CD2 3.51Å; I644-L675 HydrophobicContact CD1-CG 3.69Å; F649-L675 HydrophobicContact CB-CD2 3.99Å; F649-L675 HydrophobicContact CD1-CD2 3.93Å; F649-L675 HydrophobicContact CG-CD2 4.4Å; A652-L675 HydrophobicContact CB-CD2 4.13Å; I653-L675 HydrophobicContact CG1-CD1 4.05Å; I653-L675 HydrophobicContact CG1-CD2 4.1Å; I671-L675 HydrophobicContact CG2-CD1 3.97Å; I671-L675 HydrophobicContact CG2-CG 4.4Å; I671-L675 WeakPolarHBondContact O-CG 3.44Å; I671-L675 PolarHBondContact O-N 2.55Å; L672-L675 PolarHBondContact O-N 3.08Å; L675-A678 PolarHBondContact O-N 2.93Å; L675-V679 WeakPolarHBondContact O-CG2 3.35Å; L675-V679 PolarHBondContact O-N 3.29Å; L675-L698 HydrophobicContact CB-CD1 4.01Å; L675-L698 HydrophobicContact CB-CD2 4.16Å; L675-L698 HydrophobicContact CD1-CD1 4.3Å; L675-L701 HydrophobicContact CD1-CD2 4.38Å |
| 676 | V | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.5 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | L672 Q673 A678 V679 V680 L698 L702 Q718 M721 | L672-V676 WeakPolarHBondContact O-CB 3.3Å; L672-V676 WeakPolarHBondContact O-CG2 3.45Å; L672-V676 PolarHBondContact O-N 3.28Å; Q673-V676 PolarHBondContact O-N 2.94Å; V676-A678 PolarHBondContact O-N 3.21Å; V676-V679 PolarHBondContact O-N 3.44Å; V676-V680 HydrophobicContact CG1-CG2 4.06Å; V676-V680 WeakPolarHBondContact O-CB 3.23Å; V676-V680 VanDerWaalsContact O-CG2 3.22Å; V676-V680 WeakPolarHBondContact O-CG2 3.41Å; V676-V680 PolarHBondContact O-N 3.44Å; V676-L698 HydrophobicContact CB-CD2 4.48Å; V676-L698 HydrophobicContact CG2-CD2 3.86Å; V676-L698 HydrophobicContact CG2-CG 4.48Å; V676-L702 HydrophobicContact CG2-CD1 3.77Å; V676-Q718 HydrophobicContact CG2-CB 4.12Å; V676-M721 HydrophobicContact CG1-CB 4.05Å; V676-M721 HydrophobicContact CG1-CG 4.31Å |
| 677 | R | 92 | Very high | 89.7 | Confident | 149 Ų | 149 | 61.6 Ų | 61.6 | 56% | 0.562 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 175.6 | -176 | 178.7 | 173.6 | -159.3 | -11.5 | 111.5 | Q673 I674 V679 V680 E681 | Q673-R677 VanDerWaalsContact O-CB 3.23Å; Q673-R677 WeakPolarHBondContact O-CB 3.3Å; Q673-R677 PolarHBondContact O-N 3.29Å; I674-R677 PolarHBondContact O-N 2.95Å; R677-V679 VanDerWaalsContact C-N 3.32Å; R677-V679 PolarHBondContact O-N 2.94Å; R677-V680 PolarHBondContact O-N 2.72Å; R677-E681 VanDerWaalsContact CG-CD 3.48Å; R677-E681 HydrophobicContact CG-CG 4.14Å; R677-E681 VanDerWaalsContact CG-OE1 3.31Å; R677-E681 WeakPolarHBondContact CG-OE1 3.35Å; R677-E681 IonicContact CZ-OE1 2.66Å; R677-E681 IonicContact CZ-OE2 2.7Å; R677-E681 VanDerWaalsContact NE-CD 3.31Å; R677-E681 IonicContact NE-OE1 3.12Å; R677-E681 PolarHBondContact NE-OE1 3.02Å; R677-E681 IonicContact NE-OE2 2.62Å; R677-E681 PolarHBondContact NE-OE2 3.27Å; R677-E681 VanDerWaalsContact NE-OE2 3.11Å; R677-E681 IonicContact NH2-OE1 2.99Å; R677-E681 IonicContact NH2-OE2 2.75Å; R677-E681 PolarHBondContact NH2-OE2 2.99Å; R677-E681 VanDerWaalsContact O-CB 3.3Å; R677-E681 WeakPolarHBondContact O-CB 3.46Å; R677-E681 WeakPolarHBondContact O-CG 3.43Å; R677-E681 PolarHBondContact O-N 3.26Å |
| 678 | A | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F649 I674 L675 V676 N682 L683 A691 | F649-A678 HydrophobicContact CD1-CB 3.99Å; F649-A678 HydrophobicContact CD2-CB 4.11Å; F649-A678 HydrophobicContact CE1-CB 3.61Å; F649-A678 HydrophobicContact CE2-CB 3.75Å; F649-A678 HydrophobicContact CG-CB 4.22Å; F649-A678 HydrophobicContact CZ-CB 3.48Å; F649-A678 VanDerWaalsContact CZ-CB 3.48Å; I674-A678 WeakPolarHBondContact O-CB 3.29Å; I674-A678 PolarHBondContact O-N 3.17Å; L675-A678 PolarHBondContact O-N 2.93Å; V676-A678 PolarHBondContact O-N 3.21Å; A678-N682 WeakPolarHBondContact O-CA 3.44Å; A678-N682 PolarHBondContact O-N 3.37Å; A678-N682 VanDerWaalsContact O-N 3.13Å; A678-L683 HydrophobicContact CB-CD1 4.06Å; A678-L683 PolarHBondContact O-N 3.13Å; A678-A691 HydrophobicContact CB-CB 4.49Å; A678-A691 WeakPolarHBondContact O-CB 3.5Å |
| 679 | V | 90.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 178.4 | 175 | 0 | 0 | 0 | 0 | 111.9 | L675 V676 R677 N682 A691 L694 T695 L698 L722 | L675-V679 WeakPolarHBondContact O-CG2 3.35Å; L675-V679 PolarHBondContact O-N 3.29Å; V676-V679 PolarHBondContact O-N 3.44Å; R677-V679 VanDerWaalsContact C-N 3.32Å; R677-V679 PolarHBondContact O-N 2.94Å; V679-N682 PolarHBondContact O-N 3.01Å; V679-A691 HydrophobicContact CG2-CB 4.42Å; V679-L694 HydrophobicContact CG2-CB 4.42Å; V679-T695 WeakPolarHBondContact CG1-OG1 3.39Å; V679-L698 HydrophobicContact CB-CD2 4.1Å; V679-L698 HydrophobicContact CG2-CD2 3.66Å; V679-L722 HydrophobicContact CB-CD1 4.26Å; V679-L722 HydrophobicContact CG1-CD1 3.76Å |
| 680 | V | 88.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.4 | -41.3 | -178.1 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | V676 R677 N682 | V676-V680 HydrophobicContact CG1-CG2 4.06Å; V676-V680 WeakPolarHBondContact O-CB 3.23Å; V676-V680 VanDerWaalsContact O-CG2 3.22Å; V676-V680 WeakPolarHBondContact O-CG2 3.41Å; V676-V680 PolarHBondContact O-N 3.44Å; R677-V680 PolarHBondContact O-N 2.72Å; V680-N682 PolarHBondContact O-N 3Å |
| 681 | E | 87.9 | Confident | 88.9 | Confident | 102 Ų | 102 | 56 Ų | 56 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.3 | 174.5 | -64.9 | 179.1 | -173.8 | 0 | 0 | 112.4 | R677 L683 | R677-E681 VanDerWaalsContact CG-CD 3.48Å; R677-E681 HydrophobicContact CG-CG 4.14Å; R677-E681 VanDerWaalsContact CG-OE1 3.31Å; R677-E681 WeakPolarHBondContact CG-OE1 3.35Å; R677-E681 IonicContact CZ-OE1 2.66Å; R677-E681 IonicContact CZ-OE2 2.7Å; R677-E681 VanDerWaalsContact NE-CD 3.31Å; R677-E681 IonicContact NE-OE1 3.12Å; R677-E681 PolarHBondContact NE-OE1 3.02Å; R677-E681 IonicContact NE-OE2 2.62Å; R677-E681 PolarHBondContact NE-OE2 3.27Å; R677-E681 VanDerWaalsContact NE-OE2 3.11Å; R677-E681 IonicContact NH2-OE1 2.99Å; R677-E681 IonicContact NH2-OE2 2.75Å; R677-E681 PolarHBondContact NH2-OE2 2.99Å; R677-E681 VanDerWaalsContact O-CB 3.3Å; R677-E681 WeakPolarHBondContact O-CB 3.46Å; R677-E681 WeakPolarHBondContact O-CG 3.43Å; R677-E681 PolarHBondContact O-N 3.26Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 HydrophobicContact CB-CD2 4.13Å; E681-L683 HydrophobicContact CB-CG 4.24Å; E681-L683 PolarHBondContact O-N 3.38Å |
| 682 | N | 87.8 | Confident | 88.5 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 47.9 | -179.2 | -161.7 | 34.9 | 0 | 0 | 0 | 113.5 | A678 V679 V680 Q690 G692 | A678-N682 WeakPolarHBondContact O-CA 3.44Å; A678-N682 PolarHBondContact O-N 3.37Å; A678-N682 VanDerWaalsContact O-N 3.13Å; V679-N682 PolarHBondContact O-N 3.01Å; V680-N682 PolarHBondContact O-N 3Å; N682-Q690 PolarHBondContact ND2-OE1 3.41Å; N682-Q690 WeakPolarHBondContact OD1-CB 3.4Å; N682-G692 VanDerWaalsContact OD1-CA 3.23Å; N682-G692 WeakPolarHBondContact OD1-CA 3.47Å; N682-G692 PolarHBondContact OD1-N 3.36Å |
| 683 | L | 90.3 | Very high | 88.3 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | trans | -63.2 | 150.5 | 178.7 | -59.2 | -178 | 0 | 0 | 0 | 111.1 | F649 A678 E681 A691 | F649-L683 HydrophobicContact CE2-CB 4.44Å; A678-L683 HydrophobicContact CB-CD1 4.06Å; A678-L683 PolarHBondContact O-N 3.13Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 HydrophobicContact CB-CD2 4.13Å; E681-L683 HydrophobicContact CB-CG 4.24Å; E681-L683 PolarHBondContact O-N 3.38Å; L683-A691 VanDerWaalsContact O-CB 3.22Å; L683-A691 WeakPolarHBondContact O-CB 3.22Å; L683-A691 PolarHBondContact O-N 3.35Å | ||
| 684 | T | 86.9 | Confident | 88.3 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -79.3 | 129.1 | 171 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | A689 | T684-A689 WeakPolarHBondContact CA-O 3.49Å |
| 685 | D | 85.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | trans | -71.9 | 176.8 | 173 | 72.8 | 15.4 | 0 | 0 | 0 | 111.9 | G647 F649 Q687 G688 A689 | G647-D685 WeakPolarHBondContact O-CA 3.38Å; G647-D685 VanDerWaalsContact O-CB 3.25Å; G647-D685 WeakPolarHBondContact O-CB 3.31Å; F649-D685 HydrophobicContact CD2-CB 4.21Å; D685-Q687 PolarHBondContact O-N 3.48Å; D685-Q687 VanDerWaalsContact OD1-C 3.26Å; D685-Q687 WeakPolarHBondContact OD1-CA 3.4Å; D685-Q687 PolarHBondContact OD1-N 3.37Å; D685-G688 PolarHBondContact O-N 3.22Å; D685-G688 VanDerWaalsContact O-N 3.1Å; D685-G688 PolarHBondContact OD1-N 2.72Å; D685-A689 VanDerWaalsContact CG-O 3.27Å; D685-A689 PolarHBondContact N-O 3Å; D685-A689 PolarHBondContact OD1-N 3.41Å; D685-A689 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 686 | S | 80.2 | Confident | 88.1 | Confident | 63 Ų | 63 | 61 Ų | 61 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.5 | 179.5 | 63.8 | 0 | 0 | 0 | 0 | 114.6 | G647 | G647-S686 PolarHBondContact O-N 2.76Š|
| 687 | Q | 80.3 | Confident | 88.1 | Confident | 159 Ų | 159 | 65.9 Ų | 65.9 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.8 | 178.1 | -56.7 | -169.5 | 13.4 | 0 | 0 | 112.4 | D685 | D685-Q687 PolarHBondContact O-N 3.48Å; D685-Q687 VanDerWaalsContact OD1-C 3.26Å; D685-Q687 WeakPolarHBondContact OD1-CA 3.4Å; D685-Q687 PolarHBondContact OD1-N 3.37Å |
| 688 | G | 82.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 82.2 | 6.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D685 | D685-G688 PolarHBondContact O-N 3.22Å; D685-G688 VanDerWaalsContact O-N 3.1Å; D685-G688 PolarHBondContact OD1-N 2.72Å |
| 689 | A | 86.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | trans | -83.6 | 150.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T684 D685 | T684-A689 WeakPolarHBondContact CA-O 3.49Å; D685-A689 VanDerWaalsContact CG-O 3.27Å; D685-A689 PolarHBondContact N-O 3Å; D685-A689 PolarHBondContact OD1-N 3.41Å; D685-A689 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 690 | Q | 88.7 | Confident | 88.4 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -81.4 | 126.2 | -178.6 | -74.5 | -171.8 | -4.2 | 0 | 0 | 110.9 | N682 G692 T693 | N682-Q690 PolarHBondContact ND2-OE1 3.41Å; N682-Q690 WeakPolarHBondContact OD1-CB 3.4Å; Q690-G692 PolarHBondContact O-N 3.26Å; Q690-G692 VanDerWaalsContact O-N 3.12Å; Q690-T693 WeakPolarHBondContact O-CB 3.2Å; Q690-T693 WeakPolarHBondContact O-CG2 3.48Å; Q690-T693 PolarHBondContact O-N 2.94Å; Q690-T693 VanDerWaalsContact O-N 3.07Å; Q690-T693 PolarHBondContact O-OG1 2.96Å |
| 691 | A | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -59.8 | -24.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F649 A678 V679 L683 T693 L694 | F649-A691 HydrophobicContact CD2-CB 3.89Å; F649-A691 HydrophobicContact CE2-CB 4.26Å; A678-A691 HydrophobicContact CB-CB 4.49Å; A678-A691 WeakPolarHBondContact O-CB 3.5Å; V679-A691 HydrophobicContact CG2-CB 4.42Å; L683-A691 VanDerWaalsContact O-CB 3.22Å; L683-A691 WeakPolarHBondContact O-CB 3.22Å; L683-A691 PolarHBondContact O-N 3.35Å; A691-T693 PolarHBondContact O-N 3.15Å; A691-T693 VanDerWaalsContact O-N 3.11Å; A691-L694 WeakPolarHBondContact O-CB 3.42Å; A691-L694 PolarHBondContact O-N 3.48Å |
| 692 | G | 85.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -54.9 | -28.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N682 Q690 L694 T695 | N682-G692 VanDerWaalsContact OD1-CA 3.23Å; N682-G692 WeakPolarHBondContact OD1-CA 3.47Å; N682-G692 PolarHBondContact OD1-N 3.36Å; Q690-G692 PolarHBondContact O-N 3.26Å; Q690-G692 VanDerWaalsContact O-N 3.12Å; G692-L694 PolarHBondContact O-N 3.07Å; G692-T695 WeakPolarHBondContact O-CB 3.35Å; G692-T695 PolarHBondContact O-N 3.06Å; G692-T695 PolarHBondContact O-OG1 2.78Å |
| 693 | T | 89.6 | Confident | 89 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -63.5 | -22.7 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | Q690 A691 T695 P696 | Q690-T693 WeakPolarHBondContact O-CB 3.2Å; Q690-T693 WeakPolarHBondContact O-CG2 3.48Å; Q690-T693 PolarHBondContact O-N 2.94Å; Q690-T693 VanDerWaalsContact O-N 3.07Å; Q690-T693 PolarHBondContact O-OG1 2.96Å; A691-T693 PolarHBondContact O-N 3.15Å; A691-T693 VanDerWaalsContact O-N 3.11Å; T693-T695 VanDerWaalsContact C-N 3.32Å; T693-P696 WeakPolarHBondContact O-CD 3.42Å |
| 694 | L | 91.3 | Very high | 89.2 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -86.2 | -0.8 | -179.7 | -57.9 | 172.4 | 0 | 0 | 0 | 113.2 | F649 A650 I653 V679 A691 G692 P696 K697 L698 | F649-L694 HydrophobicContact CB-CD1 3.69Å; A650-L694 HydrophobicContact CB-CD1 4.11Å; A650-L694 HydrophobicContact CB-CD2 3.89Å; I653-L694 HydrophobicContact CD1-CB 4.17Å; I653-L694 HydrophobicContact CD1-CD1 4.46Å; V679-L694 HydrophobicContact CG2-CB 4.42Å; A691-L694 WeakPolarHBondContact O-CB 3.42Å; A691-L694 PolarHBondContact O-N 3.48Å; G692-L694 PolarHBondContact O-N 3.07Å; L694-P696 VanDerWaalsContact C-CD 3.44Å; L694-P696 VanDerWaalsContact C-N 3.33Å; L694-K697 HydrophobicContact CD2-CD 4.06Å; L694-K697 PolarHBondContact O-N 3.04Å; L694-L698 PolarHBondContact O-N 3.3Å |
| 695 | T | 90.5 | Very high | 89.4 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -48.1 | -46.3 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | V679 G692 T693 K697 L698 K699 L722 | V679-T695 WeakPolarHBondContact CG1-OG1 3.39Å; G692-T695 WeakPolarHBondContact O-CB 3.35Å; G692-T695 PolarHBondContact O-N 3.06Å; G692-T695 PolarHBondContact O-OG1 2.78Å; T693-T695 VanDerWaalsContact C-N 3.32Å; T695-K697 PolarHBondContact O-N 3.03Å; T695-L698 PolarHBondContact O-N 2.84Å; T695-K699 HydrophobicContact CG2-CD 4.13Å; T695-K699 HydrophobicContact CG2-CG 4.43Å; T695-K699 WeakPolarHBondContact O-CB 3.15Å; T695-K699 VanDerWaalsContact O-CG 3.32Å; T695-K699 WeakPolarHBondContact O-CG 2.96Å; T695-K699 PolarHBondContact O-N 3.35Å; T695-L722 HydrophobicContact CG2-CD1 4.25Å |
| 696 | P | 92.1 | Very high | 89.6 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 60% | 0.597 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 179 | -21.6 | 34.4 | 0 | 0 | 0 | 112.8 | T693 L694 K699 E700 | T693-P696 WeakPolarHBondContact O-CD 3.42Å; L694-P696 VanDerWaalsContact C-CD 3.44Å; L694-P696 VanDerWaalsContact C-N 3.33Å; P696-K699 PolarHBondContact O-N 3.28Å; P696-E700 PolarHBondContact O-N 3.15Å; P696-E700 VanDerWaalsContact O-N 3.11Å |
| 697 | K | 93.2 | Very high | 90 | Very high | 101 Ų | 101 | 51.9 Ų | 51.9 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 179.6 | -65.3 | -179.5 | 178.4 | 174.9 | 0 | 111.4 | I653 L694 T695 E700 L701 | I653-K697 HydrophobicContact CG2-CB 4.32Å; L694-K697 HydrophobicContact CD2-CD 4.06Å; L694-K697 PolarHBondContact O-N 3.04Å; T695-K697 PolarHBondContact O-N 3.03Å; K697-E700 WeakPolarHBondContact O-CB 3.19Å; K697-E700 PolarHBondContact O-N 3.1Å; K697-L701 PolarHBondContact O-N 3.3Å |
| 698 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -33.5 | 177.8 | -171.1 | 58.2 | 0 | 0 | 0 | 112.2 | I653 L675 V676 V679 L694 T695 E700 L701 L702 L722 | I653-L698 HydrophobicContact CD1-CB 4.1Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; I653-L698 HydrophobicContact CG1-CD1 4.26Å; L675-L698 HydrophobicContact CB-CD1 4.01Å; L675-L698 HydrophobicContact CB-CD2 4.16Å; L675-L698 HydrophobicContact CD1-CD1 4.3Å; V676-L698 HydrophobicContact CB-CD2 4.48Å; V676-L698 HydrophobicContact CG2-CD2 3.86Å; V676-L698 HydrophobicContact CG2-CG 4.48Å; V679-L698 HydrophobicContact CB-CD2 4.1Å; V679-L698 HydrophobicContact CG2-CD2 3.66Å; L694-L698 PolarHBondContact O-N 3.3Å; T695-L698 PolarHBondContact O-N 2.84Å; L698-E700 VanDerWaalsContact C-N 3.33Å; L698-L701 HydrophobicContact CD1-CB 4.45Å; L698-L701 HydrophobicContact CD1-CD2 4Å; L698-L701 PolarHBondContact O-N 2.95Å; L698-L702 HydrophobicContact CG-CD1 4.43Å; L698-L702 PolarHBondContact O-N 3.41Å; L698-L722 HydrophobicContact CB-CD2 4.02Å; L698-L722 HydrophobicContact CD2-CD1 3.91Å; L698-L722 HydrophobicContact CD2-CD2 4.17Å; L698-L722 HydrophobicContact CG-CD1 4.43Å; L698-L722 HydrophobicContact CG-CD2 3.82Å |
| 699 | K | 92.8 | Very high | 90.6 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 19% | 0.191 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 172.5 | -77.3 | 177.8 | 177.9 | -178.8 | 0 | 111.7 | T695 P696 G703 Y719 L722 Y723 D733 | T695-K699 HydrophobicContact CG2-CD 4.13Å; T695-K699 HydrophobicContact CG2-CG 4.43Å; T695-K699 WeakPolarHBondContact O-CB 3.15Å; T695-K699 VanDerWaalsContact O-CG 3.32Å; T695-K699 WeakPolarHBondContact O-CG 2.96Å; T695-K699 PolarHBondContact O-N 3.35Å; P696-K699 PolarHBondContact O-N 3.28Å; K699-G703 PolarHBondContact O-N 3.07Å; K699-Y719 PolarHBondContact O-OH 3.26Å; K699-Y719 VanDerWaalsContact O-OH 3.05Å; K699-L722 HydrophobicContact CB-CD2 4.23Å; K699-L722 HydrophobicContact CG-CD2 3.47Å; K699-L722 VanDerWaalsContact CG-CD2 3.47Å; K699-L722 HydrophobicContact CG-CG 4.02Å; K699-Y723 HydrophobicContact CD-CE1 4.09Å; K699-Y723 HydrophobicContact CD-CE2 4.19Å; K699-Y723 HydrophobicContact CG-CE2 4.22Å; K699-D733 IonicContact NZ-OD1 3.24Å |
| 700 | E | 94.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 49 Ų | 49 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.6 | -46.6 | 173.6 | -173.8 | -173.7 | 162.4 | 0 | 0 | 111.4 | P696 K697 L698 G703 R704 | P696-E700 PolarHBondContact O-N 3.15Å; P696-E700 VanDerWaalsContact O-N 3.11Å; K697-E700 WeakPolarHBondContact O-CB 3.19Å; K697-E700 PolarHBondContact O-N 3.1Å; L698-E700 VanDerWaalsContact C-N 3.33Å; E700-G703 PolarHBondContact O-N 3.01Å; E700-R704 PolarHBondContact O-N 3.14Å |
| 701 | L | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.9 | -54.1 | 176.5 | 179.5 | 62.2 | 0 | 0 | 0 | 112 | I653 Y656 H657 M660 L672 L675 K697 L698 G703 R704 V705 | I653-L701 HydrophobicContact CG1-CD2 4.43Å; I653-L701 HydrophobicContact CG2-CB 4.38Å; I653-L701 HydrophobicContact CG2-CD2 4.21Å; Y656-L701 HydrophobicContact CD1-CD1 3.72Å; Y656-L701 HydrophobicContact CD1-CD2 4.35Å; Y656-L701 HydrophobicContact CD1-CG 4.48Å; Y656-L701 HydrophobicContact CD2-CD2 4.43Å; Y656-L701 HydrophobicContact CG-CD1 4.07Å; Y656-L701 HydrophobicContact CG-CD2 3.98Å; H657-L701 VanDerWaalsContact CE1-CA 3.44Å; H657-L701 WeakPolarHBondContact CE1-CA 3.06Å; M660-L701 HydrophobicContact SD-CD1 4.07Å; L672-L701 HydrophobicContact CD2-CD2 3.96Å; L672-L701 HydrophobicContact CD2-CG 4.38Å; L675-L701 HydrophobicContact CD1-CD2 4.38Å; K697-L701 PolarHBondContact O-N 3.3Å; L698-L701 HydrophobicContact CD1-CB 4.45Å; L698-L701 HydrophobicContact CD1-CD2 4Å; L698-L701 PolarHBondContact O-N 2.95Å; L701-G703 PolarHBondContact O-N 3.02Å; L701-R704 PolarHBondContact O-N 3.49Å; L701-R704 VanDerWaalsContact O-N 3.09Å; L701-V705 HydrophobicContact CD1-CG2 4.08Å; L701-V705 HydrophobicContact CG-CG2 4.29Å; L701-V705 VanDerWaalsContact O-CG2 3.31Å; L701-V705 WeakPolarHBondContact O-CG2 3.49Å; L701-V705 PolarHBondContact O-N 3.26Å |
| 702 | L | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -30.6 | 178.7 | -75.4 | 170.2 | 0 | 0 | 0 | 112.4 | L672 V676 L698 S706 I715 Y719 L722 | L672-L702 HydrophobicContact CD1-CD2 4.15Å; L672-L702 HydrophobicContact CD2-CD2 3.98Å; V676-L702 HydrophobicContact CG2-CD1 3.77Å; L698-L702 HydrophobicContact CG-CD1 4.43Å; L698-L702 PolarHBondContact O-N 3.41Å; L702-S706 WeakPolarHBondContact O-CB 3.46Å; L702-S706 PolarHBondContact O-N 2.91Å; L702-S706 PolarHBondContact O-OG 3.2Å; L702-I715 HydrophobicContact CD2-CG2 4.4Å; L702-Y719 HydrophobicContact CB-CD1 4.25Å; L702-Y719 HydrophobicContact CB-CD2 3.7Å; L702-Y719 HydrophobicContact CB-CE1 4.43Å; L702-Y719 HydrophobicContact CB-CE2 3.85Å; L702-Y719 HydrophobicContact CB-CG 3.89Å; L702-Y719 HydrophobicContact CD1-CD2 4Å; L702-Y719 HydrophobicContact CD1-CG 4.39Å; L702-Y719 HydrophobicContact CG-CD2 4.49Å; L702-L722 HydrophobicContact CD1-CB 4.41Å; L702-L722 HydrophobicContact CD1-CD2 3.78Å |
| 703 | G | 91.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | K699 E700 L701 S706 A707 | K699-G703 PolarHBondContact O-N 3.07Å; E700-G703 PolarHBondContact O-N 3.01Å; L701-G703 PolarHBondContact O-N 3.02Å; G703-S706 PolarHBondContact O-OG 3.35Å; G703-A707 WeakPolarHBondContact O-CB 3.42Å; G703-A707 PolarHBondContact O-N 3.21Å; G703-A707 VanDerWaalsContact O-N 3.14Å |
| 704 | R | 92.6 | Very high | 90.2 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176 | -71.9 | -177.1 | 75.2 | -162.2 | -1.1 | 112.1 | H657 M660 D661 E700 L701 A707 R708 | H657-R704 PolarHBondContact ND1-NH1 3.01Å; H657-R704 VanDerWaalsContact ND1-NH1 3.13Å; M660-R704 HydrophobicContact CE-CB 4.07Å; D661-R704 IonicContact OD1-CZ 2.98Å; D661-R704 IonicContact OD1-NH1 3.16Å; D661-R704 IonicContact OD1-NH2 3.67Å; D661-R704 PolarHBondContact OD1-NH2 2.81Å; D661-R704 IonicContact OD2-NH1 3.24Å; D661-R704 IonicContact OD2-NH2 3.49Å; E700-R704 PolarHBondContact O-N 3.14Å; L701-R704 PolarHBondContact O-N 3.49Å; L701-R704 VanDerWaalsContact O-N 3.09Å; R704-A707 PolarHBondContact O-N 3.08Å; R704-R708 PolarHBondContact O-N 2.91Å |
| 705 | V | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -48.5 | -179.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | Y656 M660 L672 L701 A707 R708 H709 I715 | Y656-V705 HydrophobicContact CD1-CG2 4.34Å; Y656-V705 HydrophobicContact CE1-CG2 3.77Å; M660-V705 HydrophobicContact CE-CB 4.46Å; M660-V705 HydrophobicContact CE-CG2 3.92Å; M660-V705 HydrophobicContact SD-CG2 3.53Å; M660-V705 VanDerWaalsContact SD-CG2 3.53Å; L672-V705 HydrophobicContact CD1-CG1 4.02Å; L701-V705 HydrophobicContact CD1-CG2 4.08Å; L701-V705 HydrophobicContact CG-CG2 4.29Å; L701-V705 VanDerWaalsContact O-CG2 3.31Å; L701-V705 WeakPolarHBondContact O-CG2 3.49Å; L701-V705 PolarHBondContact O-N 3.26Å; V705-A707 VanDerWaalsContact C-N 3.28Å; V705-A707 PolarHBondContact O-N 3.28Å; V705-R708 PolarHBondContact O-N 3.41Å; V705-R708 VanDerWaalsContact O-N 3.16Å; V705-H709 PolarHBondContact O-N 3.2Å; V705-I715 HydrophobicContact CG1-CD1 3.61Å; V705-I715 HydrophobicContact CG1-CG1 4.18Å; V705-I715 HydrophobicContact CG1-CG2 3.93Å |
| 706 | S | 90 | Very high | 90.2 | Very high | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.4 | -26.8 | -179.3 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | L702 G703 S710 | L702-S706 WeakPolarHBondContact O-CB 3.46Å; L702-S706 PolarHBondContact O-N 2.91Å; L702-S706 PolarHBondContact O-OG 3.2Å; G703-S706 PolarHBondContact O-OG 3.35Å; S706-S710 VanDerWaalsContact O-CA 3.25Å; S706-S710 WeakPolarHBondContact O-CA 3.36Å; S706-S710 PolarHBondContact O-N 3.28Å |
| 707 | A | 89.9 | Confident | 90 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.4 | -37.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | G703 R704 V705 | G703-A707 WeakPolarHBondContact O-CB 3.42Å; G703-A707 PolarHBondContact O-N 3.21Å; G703-A707 VanDerWaalsContact O-N 3.14Å; R704-A707 PolarHBondContact O-N 3.08Å; V705-A707 VanDerWaalsContact C-N 3.28Å; V705-A707 PolarHBondContact O-N 3.28Å |
| 708 | R | 88.4 | Confident | 89.9 | Confident | 104 Ų | 104 | 39.2 Ų | 39.2 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -81.1 | -39.9 | 177.5 | -65.5 | -167.8 | -174.3 | -178.5 | 4.7 | 112.9 | M660 D661 E664 R704 V705 | M660-R708 HydrophobicContact CE-CG 4.39Å; M660-R708 PolarHBondContact O-NH1 3.44Å; D661-R708 IonicContact OD1-NH2 2.88Å; E664-R708 PolarHBondContact O-NH1 3.1Å; R704-R708 PolarHBondContact O-N 2.91Å; V705-R708 PolarHBondContact O-N 3.41Å; V705-R708 VanDerWaalsContact O-N 3.16Å |
| 709 | H | 86.6 | Confident | 89.8 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -112.5 | 58.3 | -176.5 | -61.9 | -68.2 | 0 | 0 | 0 | 111.3 | Y666 V705 S711 D712 I715 | Y666-H709 PolarHBondContact O-NE2 3.4Å; Y666-H709 VanDerWaalsContact O-NE2 3.11Å; V705-H709 PolarHBondContact O-N 3.2Å; H709-S711 PolarHBondContact O-N 3.29Å; H709-D712 HydrophobicContact CB-CB 4.46Å; H709-D712 PolarHBondContact O-N 2.9Å; H709-I715 HydrophobicContact CB-CD1 3.74Å |
| 710 | S | 85.2 | Confident | 89.7 | Confident | 73 Ų | 73 | 38.4 Ų | 38.4 | 51% | 0.51 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.2 | -172.5 | 61.9 | 0 | 0 | 0 | 0 | 115 | S706 W716 | S706-S710 VanDerWaalsContact O-CA 3.25Å; S706-S710 WeakPolarHBondContact O-CA 3.36Å; S706-S710 PolarHBondContact O-N 3.28Å; S710-W716 PolarHBondContact O-NE1 3.35Å |
| 711 | S | 84.2 | Confident | 89.4 | Confident | 100 Ų | 100 | 37.3 Ų | 37.3 | 70% | 0.699 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | H709 C747 | H709-S711 PolarHBondContact O-N 3.29Å; S711-C747 WeakPolarHBondContact O-CB 3.46Å |
| 712 | D | 86.3 | Confident | 89.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | trans | -92.1 | 113.1 | -174.5 | -156.6 | -43.8 | 0 | 0 | 0 | 110.7 | K667 H709 E714 I715 | K667-D712 IonicContact NZ-OD2 2.71Å; K667-D712 PolarHBondContact NZ-OD2 3.04Å; H709-D712 HydrophobicContact CB-CB 4.46Å; H709-D712 PolarHBondContact O-N 2.9Å; D712-E714 VanDerWaalsContact C-N 3.32Å; D712-E714 PolarHBondContact O-N 3.09Å; D712-E714 PolarHBondContact OD1-N 3.13Å; D712-I715 HydrophobicContact CB-CB 4.45Å; D712-I715 HydrophobicContact CB-CD1 3.78Å; D712-I715 HydrophobicContact CB-CG1 4.25Å | ||
| 713 | A | 86.2 | Confident | 88.8 | Confident | 13 Ų | 13 | 39 Ų | 39 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I715 W716 Q717 C747 E748 | A713-I715 VanDerWaalsContact C-N 3.35Å; A713-I715 PolarHBondContact O-N 3.26Å; A713-W716 PolarHBondContact O-N 2.98Å; A713-Q717 WeakPolarHBondContact O-CG 3.39Å; A713-Q717 PolarHBondContact O-N 2.95Å; A713-Q717 VanDerWaalsContact O-N 3.11Å; A713-C747 HydrophobicContact CB-CB 4Å; A713-E748 HydrophobicContact CB-CG 3.43Å; A713-E748 VanDerWaalsContact CB-CG 3.43Å |
| 714 | E | 88.4 | Confident | 88.3 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -37.9 | -173.4 | -140.5 | 70.6 | -171.9 | 0 | 0 | 110.9 | V669 D712 W716 Q717 Q718 R767 | V669-E714 HydrophobicContact CG1-CB 3.92Å; V669-E714 HydrophobicContact CG1-CG 3.79Å; D712-E714 VanDerWaalsContact C-N 3.32Å; D712-E714 PolarHBondContact O-N 3.09Å; D712-E714 PolarHBondContact OD1-N 3.13Å; E714-W716 PolarHBondContact O-N 3.26Å; E714-Q717 WeakPolarHBondContact O-CB 3.33Å; E714-Q717 PolarHBondContact O-N 3.31Å; E714-Q718 WeakPolarHBondContact O-CG 3.32Å; E714-Q718 PolarHBondContact O-N 3.04Å; E714-R767 VanDerWaalsContact CD-NH2 3.33Å; E714-R767 IonicContact OE1-CZ 2.68Å; E714-R767 IonicContact OE1-NH1 3.79Å; E714-R767 IonicContact OE1-NH2 3.79Å; E714-R767 PolarHBondContact OE1-NH2 2.88Å; E714-R767 IonicContact OE2-CZ 3.54Å; E714-R767 IonicContact OE2-NH1 3.42Å; E714-R767 PolarHBondContact OE2-NH1 3.3Å; E714-R767 IonicContact OE2-NH2 3.69Å; E714-R767 PolarHBondContact OE2-NH2 3.25Å; E714-R767 VanDerWaalsContact OE2-NH2 3.1Å |
| 715 | I | 90.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.1 | -69.3 | 167.2 | 0 | 0 | 0 | 110.8 | V669 L672 L702 V705 H709 D712 A713 Q717 Q718 Y719 | V669-I715 HydrophobicContact CG2-CG1 4.5Å; L672-I715 HydrophobicContact CD1-CG1 4.33Å; L702-I715 HydrophobicContact CD2-CG2 4.4Å; V705-I715 HydrophobicContact CG1-CD1 3.61Å; V705-I715 HydrophobicContact CG1-CG1 4.18Å; V705-I715 HydrophobicContact CG1-CG2 3.93Å; H709-I715 HydrophobicContact CB-CD1 3.74Å; D712-I715 HydrophobicContact CB-CB 4.45Å; D712-I715 HydrophobicContact CB-CD1 3.78Å; D712-I715 HydrophobicContact CB-CG1 4.25Å; A713-I715 VanDerWaalsContact C-N 3.35Å; A713-I715 PolarHBondContact O-N 3.26Å; I715-Q717 VanDerWaalsContact C-N 3.28Å; I715-Q717 PolarHBondContact O-N 3.1Å; I715-Q718 PolarHBondContact O-N 3.48Å; I715-Y719 WeakPolarHBondContact O-CB 3.3Å; I715-Y719 PolarHBondContact O-N 3.06Å |
| 716 | W | 90.8 | Very high | 86.4 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 8% | 0.076 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -33.3 | 177.4 | -71.8 | 117.1 | 0 | 0 | 0 | 112.5 | S710 A713 E714 Y719 A720 F740 K743 A744 | S710-W716 PolarHBondContact O-NE1 3.35Å; A713-W716 PolarHBondContact O-N 2.98Å; E714-W716 PolarHBondContact O-N 3.26Å; W716-Y719 HydrophobicContact CE3-CD1 4.16Å; W716-Y719 HydrophobicContact CZ3-CD1 4.02Å; W716-Y719 HydrophobicContact CZ3-CE1 4.45Å; W716-Y719 PolarHBondContact O-N 3.27Å; W716-A720 PolarHBondContact O-N 2.78Å; W716-F740 HydrophobicContact CE3-CB 4.35Å; W716-F740 AromaticContact CE3-CD1 3.49Å; W716-F740 HydrophobicContact CE3-CD1 3.49Å; W716-F740 VanDerWaalsContact CE3-CD1 3.49Å; W716-F740 HydrophobicContact CE3-CE1 4.16Å; W716-F740 HydrophobicContact CE3-CG 4.22Å; W716-F740 AromaticContact CZ3-CD1 3.45Å; W716-F740 HydrophobicContact CZ3-CD1 3.45Å; W716-F740 VanDerWaalsContact CZ3-CD1 3.45Å; W716-F740 AromaticContact CZ3-CE1 3.66Å; W716-F740 HydrophobicContact CZ3-CE1 3.66Å; W716-K743 HydrophobicContact CD2-CB 4Å; W716-K743 HydrophobicContact CD2-CD 4.17Å; W716-K743 HydrophobicContact CE3-CB 4.45Å; W716-K743 HydrophobicContact CE3-CD 4.03Å; W716-K743 HydrophobicContact CG-CB 4.09Å; W716-K743 HydrophobicContact CH2-CD 3.86Å; W716-K743 HydrophobicContact CZ2-CD 3.96Å; W716-K743 HydrophobicContact CZ3-CD 3.89Å; W716-A744 HydrophobicContact CB-CB 3.67Å |
| 717 | Q | 88.7 | Confident | 85.8 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -46.6 | 174.8 | -71 | 178.4 | 6 | 0 | 0 | 112.4 | A713 E714 I715 Y719 A720 M721 A744 E748 | A713-Q717 WeakPolarHBondContact O-CG 3.39Å; A713-Q717 PolarHBondContact O-N 2.95Å; A713-Q717 VanDerWaalsContact O-N 3.11Å; E714-Q717 WeakPolarHBondContact O-CB 3.33Å; E714-Q717 PolarHBondContact O-N 3.31Å; I715-Q717 VanDerWaalsContact C-N 3.28Å; I715-Q717 PolarHBondContact O-N 3.1Å; Q717-Y719 PolarHBondContact O-N 2.97Å; Q717-A720 WeakPolarHBondContact O-CB 3.26Å; Q717-A720 PolarHBondContact O-N 3.24Å; Q717-A720 VanDerWaalsContact O-N 3.14Å; Q717-M721 WeakPolarHBondContact O-CB 3.25Å; Q717-M721 PolarHBondContact O-N 2.95Å; Q717-A744 HydrophobicContact CG-CB 3.76Å; Q717-E748 PolarHBondContact NE2-OE1 3.39Å |
| 718 | Q | 90.9 | Very high | 85.2 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -37.2 | 174.8 | -66.4 | -44.8 | -54.4 | 0 | 0 | 110.9 | Q673 V676 E714 I715 M721 L722 | Q673-Q718 HydrophobicContact CG-CG 3.91Å; V676-Q718 HydrophobicContact CG2-CB 4.12Å; E714-Q718 WeakPolarHBondContact O-CG 3.32Å; E714-Q718 PolarHBondContact O-N 3.04Å; I715-Q718 PolarHBondContact O-N 3.48Å; Q718-M721 PolarHBondContact O-N 3.06Å; Q718-L722 PolarHBondContact O-N 2.93Å; Q718-L722 VanDerWaalsContact O-N 3.12Å |
| 719 | Y | 91.6 | Very high | 84.6 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 10% | 0.102 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 175.4 | -154.2 | -179.4 | 0 | 0 | 0 | 112.8 | K699 L702 I715 W716 Q717 M721 L722 Y723 F740 | K699-Y719 PolarHBondContact O-OH 3.26Å; K699-Y719 VanDerWaalsContact O-OH 3.05Å; L702-Y719 HydrophobicContact CB-CD1 4.25Å; L702-Y719 HydrophobicContact CB-CD2 3.7Å; L702-Y719 HydrophobicContact CB-CE1 4.43Å; L702-Y719 HydrophobicContact CB-CE2 3.85Å; L702-Y719 HydrophobicContact CB-CG 3.89Å; L702-Y719 HydrophobicContact CD1-CD2 4Å; L702-Y719 HydrophobicContact CD1-CG 4.39Å; L702-Y719 HydrophobicContact CG-CD2 4.49Å; I715-Y719 WeakPolarHBondContact O-CB 3.3Å; I715-Y719 PolarHBondContact O-N 3.06Å; W716-Y719 HydrophobicContact CE3-CD1 4.16Å; W716-Y719 HydrophobicContact CZ3-CD1 4.02Å; W716-Y719 HydrophobicContact CZ3-CE1 4.45Å; W716-Y719 PolarHBondContact O-N 3.27Å; Q717-Y719 PolarHBondContact O-N 2.97Å; Y719-M721 VanDerWaalsContact C-N 3.31Å; Y719-M721 PolarHBondContact O-N 3.33Å; Y719-L722 PolarHBondContact O-N 2.95Å; Y719-Y723 HydrophobicContact CD2-CD2 4.15Å; Y719-Y723 AromaticContact CD2-CE2 3.87Å; Y719-Y723 HydrophobicContact CD2-CE2 3.87Å; Y719-Y723 HydrophobicContact CE2-CD2 4.3Å; Y719-Y723 AromaticContact CE2-CE2 3.56Å; Y719-Y723 HydrophobicContact CE2-CE2 3.56Å; Y719-Y723 WeakPolarHBondContact O-CD2 3.26Å; Y719-F740 HydrophobicContact CD1-CD1 4.04Å; Y719-F740 HydrophobicContact CD1-CD2 4.21Å; Y719-F740 AromaticContact CD1-CE1 3.78Å; Y719-F740 HydrophobicContact CD1-CE1 3.78Å; Y719-F740 AromaticContact CD1-CE2 3.97Å; Y719-F740 HydrophobicContact CD1-CE2 3.97Å; Y719-F740 HydrophobicContact CD1-CG 4.25Å; Y719-F740 AromaticContact CD1-CZ 3.75Å; Y719-F740 HydrophobicContact CD1-CZ 3.75Å; Y719-F740 HydrophobicContact CD2-CD2 4.46Å; Y719-F740 HydrophobicContact CD2-CE2 4.14Å; Y719-F740 HydrophobicContact CE1-CD1 4.49Å; Y719-F740 AromaticContact CE1-CE1 3.78Å; Y719-F740 HydrophobicContact CE1-CE1 3.78Å; Y719-F740 HydrophobicContact CE1-CE2 4.06Å; Y719-F740 AromaticContact CE1-CZ 3.52Å; Y719-F740 HydrophobicContact CE1-CZ 3.52Å; Y719-F740 HydrophobicContact CE2-CE2 4.27Å; Y719-F740 HydrophobicContact CE2-CZ 4.41Å; Y719-F740 HydrophobicContact CG-CD2 4.06Å; Y719-F740 HydrophobicContact CG-CE2 4.02Å; Y719-F740 HydrophobicContact CG-CG 4.38Å; Y719-F740 HydrophobicContact CG-CZ 4.27Å; Y719-F740 AromaticContact CZ-CZ 3.9Å |
| 720 | A | 88.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W716 Q717 L722 Y723 G725 A737 F740 L741 | W716-A720 PolarHBondContact O-N 2.78Å; Q717-A720 WeakPolarHBondContact O-CB 3.26Å; Q717-A720 PolarHBondContact O-N 3.24Å; Q717-A720 VanDerWaalsContact O-N 3.14Å; A720-L722 VanDerWaalsContact C-N 3.32Å; A720-L722 PolarHBondContact O-N 3.1Å; A720-Y723 PolarHBondContact O-N 3.16Å; A720-Y723 VanDerWaalsContact O-N 3.12Å; A720-G725 WeakPolarHBondContact O-CA 3.22Å; A720-G725 PolarHBondContact O-N 2.7Å; A720-A737 HydrophobicContact CB-CB 4.43Å; A720-F740 HydrophobicContact CB-CB 3.94Å; A720-L741 HydrophobicContact CB-CD2 3.76Å; A720-L741 HydrophobicContact CB-CG 3.66Å |
| 721 | M | 88.3 | Confident | 84 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 48% | 0.478 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | -179.8 | -159.5 | 169.9 | -172.8 | 0 | 0 | 111.7 | V676 Q717 Q718 Y719 Y723 G724 | V676-M721 HydrophobicContact CG1-CB 4.05Å; V676-M721 HydrophobicContact CG1-CG 4.31Å; Q717-M721 WeakPolarHBondContact O-CB 3.25Å; Q717-M721 PolarHBondContact O-N 2.95Å; Q718-M721 PolarHBondContact O-N 3.06Å; Y719-M721 VanDerWaalsContact C-N 3.31Å; Y719-M721 PolarHBondContact O-N 3.33Å; M721-Y723 PolarHBondContact O-N 2.66Å; M721-G724 WeakPolarHBondContact O-CA 3.45Å; M721-G724 PolarHBondContact O-N 3.46Å |
| 722 | L | 88.1 | Confident | 83.9 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -23.3 | 174.3 | -170.7 | 61.9 | 0 | 0 | 0 | 113.8 | V679 T695 L698 K699 L702 Q718 Y719 A720 G724 | V679-L722 HydrophobicContact CB-CD1 4.26Å; V679-L722 HydrophobicContact CG1-CD1 3.76Å; T695-L722 HydrophobicContact CG2-CD1 4.25Å; L698-L722 HydrophobicContact CB-CD2 4.02Å; L698-L722 HydrophobicContact CD2-CD1 3.91Å; L698-L722 HydrophobicContact CD2-CD2 4.17Å; L698-L722 HydrophobicContact CG-CD1 4.43Å; L698-L722 HydrophobicContact CG-CD2 3.82Å; K699-L722 HydrophobicContact CB-CD2 4.23Å; K699-L722 HydrophobicContact CG-CD2 3.47Å; K699-L722 VanDerWaalsContact CG-CD2 3.47Å; K699-L722 HydrophobicContact CG-CG 4.02Å; L702-L722 HydrophobicContact CD1-CB 4.41Å; L702-L722 HydrophobicContact CD1-CD2 3.78Å; Q718-L722 PolarHBondContact O-N 2.93Å; Q718-L722 VanDerWaalsContact O-N 3.12Å; Y719-L722 PolarHBondContact O-N 2.95Å; A720-L722 VanDerWaalsContact C-N 3.32Å; A720-L722 PolarHBondContact O-N 3.1Å; L722-G724 VanDerWaalsContact C-N 3.26Å |
| 723 | Y | 86.3 | Confident | 83.7 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 16.8 | 171.2 | -78.9 | -85.7 | 0 | 0 | 0 | 112.9 | K699 Y719 A720 M721 D733 K736 F740 | K699-Y723 HydrophobicContact CD-CE1 4.09Å; K699-Y723 HydrophobicContact CD-CE2 4.19Å; K699-Y723 HydrophobicContact CG-CE2 4.22Å; Y719-Y723 HydrophobicContact CD2-CD2 4.15Å; Y719-Y723 AromaticContact CD2-CE2 3.87Å; Y719-Y723 HydrophobicContact CD2-CE2 3.87Å; Y719-Y723 HydrophobicContact CE2-CD2 4.3Å; Y719-Y723 AromaticContact CE2-CE2 3.56Å; Y719-Y723 HydrophobicContact CE2-CE2 3.56Å; Y719-Y723 WeakPolarHBondContact O-CD2 3.26Å; A720-Y723 PolarHBondContact O-N 3.16Å; A720-Y723 VanDerWaalsContact O-N 3.12Å; M721-Y723 PolarHBondContact O-N 2.66Å; Y723-D733 HydrophobicContact CD1-CB 3.88Å; Y723-D733 WeakPolarHBondContact CD1-OD1 3.46Å; Y723-D733 WeakPolarHBondContact CE1-OD1 3.31Å; Y723-K736 HydrophobicContact CD1-CB 4.16Å; Y723-K736 HydrophobicContact CD1-CD 4.26Å; Y723-K736 HydrophobicContact CE1-CB 4.3Å; Y723-K736 HydrophobicContact CE1-CD 3.65Å; Y723-K736 HydrophobicContact CG-CB 4.37Å; Y723-F740 HydrophobicContact CD2-CD2 4.11Å; Y723-F740 AromaticContact CD2-CE2 3.71Å; Y723-F740 HydrophobicContact CD2-CE2 3.71Å; Y723-F740 HydrophobicContact CE2-CD2 4.4Å; Y723-F740 AromaticContact CE2-CE2 3.56Å; Y723-F740 HydrophobicContact CE2-CE2 3.56Å; Y723-F740 HydrophobicContact CE2-CZ 4.41Å |
| 724 | G | 80.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 10.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M721 L722 G726 R727 | M721-G724 WeakPolarHBondContact O-CA 3.45Å; M721-G724 PolarHBondContact O-N 3.46Å; L722-G724 VanDerWaalsContact C-N 3.26Å; G724-G726 PolarHBondContact O-N 3.23Å; G724-G726 VanDerWaalsContact O-N 3.07Å; G724-R727 PolarHBondContact O-N 2.8Å |
| 725 | G | 76.5 | Confident | 83.3 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A720 V774 | A720-G725 WeakPolarHBondContact O-CA 3.22Å; A720-G725 PolarHBondContact O-N 2.7Å; G725-V774 WeakPolarHBondContact O-CG2 3.37Å |
| 726 | G | 69.3 | Low | 83.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 6.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G724 N734 | G724-G726 PolarHBondContact O-N 3.23Å; G724-G726 VanDerWaalsContact O-N 3.07Å; G726-N734 VanDerWaalsContact CA-OD1 3.28Å; G726-N734 WeakPolarHBondContact CA-OD1 3.42Å; G726-N734 PolarHBondContact O-OD1 3.27Å |
| 727 | R | 75.8 | Confident | 82.9 | Confident | 212 Ų | 212 | 49 Ų | 49 | 80% | 0.8 | 26% | 0.264 | S | S | * | . | trans | -114.3 | 14.7 | 178.6 | -58.8 | -178.8 | -176.6 | -178.7 | 0.2 | 113.1 | G724 N734 | G724-R727 PolarHBondContact O-N 2.8Å; R727-N734 PolarHBondContact N-OD1 2.76Å | ||
| 728 | S | 79.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | trans | -66.5 | 150.6 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | N730 N734 | S728-N730 PolarHBondContact O-N 2.84Å; S728-N730 PolarHBondContact OG-N 3.45Å; S728-N734 WeakPolarHBondContact CA-OD1 3.26Å; S728-N734 VanDerWaalsContact CB-OD1 3.3Å; S728-N734 WeakPolarHBondContact CB-OD1 3.41Å; S728-N734 PolarHBondContact N-OD1 3.4Å; S728-N734 PolarHBondContact O-ND2 3.26Å | ||
| 729 | S | 75.3 | Confident | 82.6 | Confident | 121 Ų | 121 | 52.3 Ų | 52.3 | 85% | 0.846 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -67 | -24.6 | 169.9 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 730 | N | 81.5 | Confident | 82.5 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -89.5 | 120.7 | 178.6 | -173 | 4 | 0 | 0 | 0 | 111.6 | S728 D732 D733 N734 | S728-N730 PolarHBondContact O-N 2.84Å; S728-N730 PolarHBondContact OG-N 3.45Å; N730-D732 VanDerWaalsContact C-N 3.32Å; N730-D732 PolarHBondContact O-N 3.05Å; N730-D732 PolarHBondContact OD1-N 3.26Å; N730-D733 HydrophobicContact CB-CB 4.23Å; N730-D733 WeakPolarHBondContact CB-OD2 3.38Å; N730-D733 PolarHBondContact ND2-OD2 3.5Å; N730-D733 VanDerWaalsContact ND2-OD2 3.14Å; N730-D733 PolarHBondContact O-N 3.19Å; N730-N734 PolarHBondContact O-N 3.13Å; N730-N734 PolarHBondContact O-ND2 3.42Å |
| 731 | P | 77.3 | Confident | 82.4 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -38.8 | 178.1 | -24.2 | 34.2 | 0 | 0 | 0 | 114 | D733 N734 D735 | P731-D733 VanDerWaalsContact C-N 3.31Å; P731-D733 PolarHBondContact O-N 3.33Å; P731-N734 WeakPolarHBondContact O-CB 3.45Å; P731-N734 PolarHBondContact O-N 3.05Å; P731-N734 VanDerWaalsContact O-N 3.16Å; P731-D735 PolarHBondContact O-N 3.45Å |
| 732 | D | 82.1 | Confident | 82.3 | Confident | 107 Ų | 107 | 50.1 Ų | 50.1 | 57% | 0.572 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.7 | -33.9 | -177.3 | -68.2 | -15.9 | 0 | 0 | 0 | 112.5 | N730 K736 | N730-D732 VanDerWaalsContact C-N 3.32Å; N730-D732 PolarHBondContact O-N 3.05Å; N730-D732 PolarHBondContact OD1-N 3.26Å; D732-K736 WeakPolarHBondContact O-CG 3.39Å; D732-K736 PolarHBondContact O-N 2.58Å; D732-K736 VanDerWaalsContact O-N 3.15Å |
| 733 | D | 83.3 | Confident | 82.3 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.3 | -35.7 | 176.4 | -71.6 | -36.3 | 0 | 0 | 0 | 110.9 | K699 Y723 N730 P731 K736 A737 | K699-D733 IonicContact NZ-OD1 3.24Å; Y723-D733 HydrophobicContact CD1-CB 3.88Å; Y723-D733 WeakPolarHBondContact CD1-OD1 3.46Å; Y723-D733 WeakPolarHBondContact CE1-OD1 3.31Å; N730-D733 HydrophobicContact CB-CB 4.23Å; N730-D733 WeakPolarHBondContact CB-OD2 3.38Å; N730-D733 PolarHBondContact ND2-OD2 3.5Å; N730-D733 VanDerWaalsContact ND2-OD2 3.14Å; N730-D733 PolarHBondContact O-N 3.19Å; P731-D733 VanDerWaalsContact C-N 3.31Å; P731-D733 PolarHBondContact O-N 3.33Å; D733-K736 PolarHBondContact O-N 2.9Å; D733-A737 WeakPolarHBondContact O-CB 3.45Å; D733-A737 PolarHBondContact O-N 2.72Å |
| 734 | N | 82.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 175.9 | -65.7 | -35.7 | 0 | 0 | 0 | 112 | G726 R727 S728 N730 P731 K736 A737 L738 | G726-N734 VanDerWaalsContact CA-OD1 3.28Å; G726-N734 WeakPolarHBondContact CA-OD1 3.42Å; G726-N734 PolarHBondContact O-OD1 3.27Å; R727-N734 PolarHBondContact N-OD1 2.76Å; S728-N734 WeakPolarHBondContact CA-OD1 3.26Å; S728-N734 VanDerWaalsContact CB-OD1 3.3Å; S728-N734 WeakPolarHBondContact CB-OD1 3.41Å; S728-N734 PolarHBondContact N-OD1 3.4Å; S728-N734 PolarHBondContact O-ND2 3.26Å; N730-N734 PolarHBondContact O-N 3.13Å; N730-N734 PolarHBondContact O-ND2 3.42Å; P731-N734 WeakPolarHBondContact O-CB 3.45Å; P731-N734 PolarHBondContact O-N 3.05Å; P731-N734 VanDerWaalsContact O-N 3.16Å; N734-K736 VanDerWaalsContact C-N 3.34Å; N734-K736 PolarHBondContact O-N 3.39Å; N734-A737 PolarHBondContact O-N 2.93Å; N734-L738 WeakPolarHBondContact O-CB 3.35Å; N734-L738 PolarHBondContact O-N 3.32Å |
| 735 | D | 82.7 | Confident | 82.6 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174.9 | -89 | -1.9 | 0 | 0 | 0 | 111.3 | P731 L738 Q739 K782 | P731-D735 PolarHBondContact O-N 3.45Å; D735-L738 PolarHBondContact O-N 3.45Å; D735-Q739 WeakPolarHBondContact O-CG 3.44Å; D735-Q739 PolarHBondContact O-N 3.12Å; D735-Q739 VanDerWaalsContact O-N 3.07Å; D735-K782 VanDerWaalsContact OD2-CE 3.26Å; D735-K782 WeakPolarHBondContact OD2-CE 3.35Å; D735-K782 IonicContact OD2-NZ 3.43Å; D735-K782 PolarHBondContact OD2-NZ 3.46Å |
| 736 | K | 86.3 | Confident | 83 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 173.9 | -73.7 | 177.2 | -176.7 | 172.2 | 0 | 112.3 | Y723 D732 D733 N734 L738 Q739 F740 | Y723-K736 HydrophobicContact CD1-CB 4.16Å; Y723-K736 HydrophobicContact CD1-CD 4.26Å; Y723-K736 HydrophobicContact CE1-CB 4.3Å; Y723-K736 HydrophobicContact CE1-CD 3.65Å; Y723-K736 HydrophobicContact CG-CB 4.37Å; D732-K736 WeakPolarHBondContact O-CG 3.39Å; D732-K736 PolarHBondContact O-N 2.58Å; D732-K736 VanDerWaalsContact O-N 3.15Å; D733-K736 PolarHBondContact O-N 2.9Å; N734-K736 VanDerWaalsContact C-N 3.34Å; N734-K736 PolarHBondContact O-N 3.39Å; K736-L738 VanDerWaalsContact C-N 3.27Å; K736-L738 PolarHBondContact O-N 2.87Å; K736-Q739 WeakPolarHBondContact O-CB 3.26Å; K736-Q739 PolarHBondContact O-N 3Å; K736-F740 HydrophobicContact CB-CE2 4.18Å; K736-F740 WeakPolarHBondContact O-CD2 3.33Å; K736-F740 WeakPolarHBondContact O-CG 3.45Å; K736-F740 PolarHBondContact O-N 3.25Å |
| 737 | A | 85.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A720 D733 N734 F740 L741 | A720-A737 HydrophobicContact CB-CB 4.43Å; D733-A737 WeakPolarHBondContact O-CB 3.45Å; D733-A737 PolarHBondContact O-N 2.72Å; N734-A737 PolarHBondContact O-N 2.93Å; A737-F740 PolarHBondContact O-N 3.41Å; A737-L741 WeakPolarHBondContact O-CG 3.24Å; A737-L741 PolarHBondContact O-N 3.46Å |
| 738 | L | 85.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.5 | -179.9 | 57.9 | 0 | 0 | 0 | 112.9 | N734 D735 K736 F740 L741 S742 M771 V774 S775 C778 L791 | N734-L738 WeakPolarHBondContact O-CB 3.35Å; N734-L738 PolarHBondContact O-N 3.32Å; D735-L738 PolarHBondContact O-N 3.45Å; K736-L738 VanDerWaalsContact C-N 3.27Å; K736-L738 PolarHBondContact O-N 2.87Å; L738-F740 VanDerWaalsContact C-N 3.34Å; L738-L741 PolarHBondContact O-N 3.42Å; L738-S742 WeakPolarHBondContact O-CB 3.22Å; L738-S742 PolarHBondContact O-N 3.02Å; L738-S742 PolarHBondContact O-OG 3.22Å; L738-M771 HydrophobicContact CD1-CG 4.1Å; L738-V774 HydrophobicContact CB-CG1 4.19Å; L738-V774 HydrophobicContact CD1-CG1 4.19Å; L738-S775 WeakPolarHBondContact CD1-OG 3.44Å; L738-C778 HydrophobicContact CD2-CB 4.29Å; L738-L791 HydrophobicContact CD2-CD2 3.8Å |
| 739 | Q | 88.1 | Confident | 84.3 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.6 | -72 | 176 | 19.9 | 0 | 0 | 111.6 | D735 K736 S742 K743 | D735-Q739 WeakPolarHBondContact O-CG 3.44Å; D735-Q739 PolarHBondContact O-N 3.12Å; D735-Q739 VanDerWaalsContact O-N 3.07Å; K736-Q739 WeakPolarHBondContact O-CB 3.26Å; K736-Q739 PolarHBondContact O-N 3Å; Q739-S742 PolarHBondContact O-N 3.41Å; Q739-K743 WeakPolarHBondContact O-CG 3.4Å; Q739-K743 PolarHBondContact O-N 2.89Å; Q739-K743 VanDerWaalsContact O-N 3.07Å |
| 740 | F | 89.8 | Confident | 84.7 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 178 | -62 | -44 | 0 | 0 | 0 | 112.6 | W716 Y719 A720 Y723 K736 A737 L738 S742 K743 A744 | W716-F740 HydrophobicContact CE3-CB 4.35Å; W716-F740 AromaticContact CE3-CD1 3.49Å; W716-F740 HydrophobicContact CE3-CD1 3.49Å; W716-F740 VanDerWaalsContact CE3-CD1 3.49Å; W716-F740 HydrophobicContact CE3-CE1 4.16Å; W716-F740 HydrophobicContact CE3-CG 4.22Å; W716-F740 AromaticContact CZ3-CD1 3.45Å; W716-F740 HydrophobicContact CZ3-CD1 3.45Å; W716-F740 VanDerWaalsContact CZ3-CD1 3.45Å; W716-F740 AromaticContact CZ3-CE1 3.66Å; W716-F740 HydrophobicContact CZ3-CE1 3.66Å; Y719-F740 HydrophobicContact CD1-CD1 4.04Å; Y719-F740 HydrophobicContact CD1-CD2 4.21Å; Y719-F740 AromaticContact CD1-CE1 3.78Å; Y719-F740 HydrophobicContact CD1-CE1 3.78Å; Y719-F740 AromaticContact CD1-CE2 3.97Å; Y719-F740 HydrophobicContact CD1-CE2 3.97Å; Y719-F740 HydrophobicContact CD1-CG 4.25Å; Y719-F740 AromaticContact CD1-CZ 3.75Å; Y719-F740 HydrophobicContact CD1-CZ 3.75Å; Y719-F740 HydrophobicContact CD2-CD2 4.46Å; Y719-F740 HydrophobicContact CD2-CE2 4.14Å; Y719-F740 HydrophobicContact CE1-CD1 4.49Å; Y719-F740 AromaticContact CE1-CE1 3.78Å; Y719-F740 HydrophobicContact CE1-CE1 3.78Å; Y719-F740 HydrophobicContact CE1-CE2 4.06Å; Y719-F740 AromaticContact CE1-CZ 3.52Å; Y719-F740 HydrophobicContact CE1-CZ 3.52Å; Y719-F740 HydrophobicContact CE2-CE2 4.27Å; Y719-F740 HydrophobicContact CE2-CZ 4.41Å; Y719-F740 HydrophobicContact CG-CD2 4.06Å; Y719-F740 HydrophobicContact CG-CE2 4.02Å; Y719-F740 HydrophobicContact CG-CG 4.38Å; Y719-F740 HydrophobicContact CG-CZ 4.27Å; Y719-F740 AromaticContact CZ-CZ 3.9Å; A720-F740 HydrophobicContact CB-CB 3.94Å; Y723-F740 HydrophobicContact CD2-CD2 4.11Å; Y723-F740 AromaticContact CD2-CE2 3.71Å; Y723-F740 HydrophobicContact CD2-CE2 3.71Å; Y723-F740 HydrophobicContact CE2-CD2 4.4Å; Y723-F740 AromaticContact CE2-CE2 3.56Å; Y723-F740 HydrophobicContact CE2-CE2 3.56Å; Y723-F740 HydrophobicContact CE2-CZ 4.41Å; K736-F740 HydrophobicContact CB-CE2 4.18Å; K736-F740 WeakPolarHBondContact O-CD2 3.33Å; K736-F740 WeakPolarHBondContact O-CG 3.45Å; K736-F740 PolarHBondContact O-N 3.25Å; A737-F740 PolarHBondContact O-N 3.41Å; L738-F740 VanDerWaalsContact C-N 3.34Å; F740-S742 VanDerWaalsContact C-N 3.29Å; F740-S742 PolarHBondContact O-N 3.4Å; F740-K743 WeakPolarHBondContact O-CB 3.28Å; F740-K743 PolarHBondContact O-N 3.28Å; F740-K743 VanDerWaalsContact O-N 3.12Å; F740-A744 PolarHBondContact O-N 3.44Å |
| 741 | L | 86.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 172.9 | -71 | 173 | 0 | 0 | 0 | 112 | A720 A737 L738 K743 A744 H745 M771 V774 | A720-L741 HydrophobicContact CB-CD2 3.76Å; A720-L741 HydrophobicContact CB-CG 3.66Å; A737-L741 WeakPolarHBondContact O-CG 3.24Å; A737-L741 PolarHBondContact O-N 3.46Å; L738-L741 PolarHBondContact O-N 3.42Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 3.07Å; L741-A744 PolarHBondContact O-N 2.79Å; L741-H745 WeakPolarHBondContact O-CB 3.29Å; L741-H745 PolarHBondContact O-N 3.18Å; L741-M771 HydrophobicContact CB-CB 4.42Å; L741-M771 HydrophobicContact CB-CG 4.19Å; L741-V774 HydrophobicContact CD1-CB 4.32Å; L741-V774 HydrophobicContact CD1-CG1 4.31Å; L741-V774 HydrophobicContact CD1-CG2 4.04Å |
| 742 | S | 87.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 175.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | L738 Q739 F740 R746 | L738-S742 WeakPolarHBondContact O-CB 3.22Å; L738-S742 PolarHBondContact O-N 3.02Å; L738-S742 PolarHBondContact O-OG 3.22Å; Q739-S742 PolarHBondContact O-N 3.41Å; F740-S742 VanDerWaalsContact C-N 3.29Å; F740-S742 PolarHBondContact O-N 3.4Å; S742-R746 VanDerWaalsContact O-CG 3.3Å; S742-R746 WeakPolarHBondContact O-CG 3.27Å; S742-R746 PolarHBondContact O-N 3.08Å |
| 743 | K | 87.3 | Confident | 83.8 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 174.1 | -73.4 | 178.8 | 179.2 | -179.2 | 0 | 111.8 | W716 Q739 F740 L741 H745 R746 C747 | W716-K743 HydrophobicContact CD2-CB 4Å; W716-K743 HydrophobicContact CD2-CD 4.17Å; W716-K743 HydrophobicContact CE3-CB 4.45Å; W716-K743 HydrophobicContact CE3-CD 4.03Å; W716-K743 HydrophobicContact CG-CB 4.09Å; W716-K743 HydrophobicContact CH2-CD 3.86Å; W716-K743 HydrophobicContact CZ2-CD 3.96Å; W716-K743 HydrophobicContact CZ3-CD 3.89Å; Q739-K743 WeakPolarHBondContact O-CG 3.4Å; Q739-K743 PolarHBondContact O-N 2.89Å; Q739-K743 VanDerWaalsContact O-N 3.07Å; F740-K743 WeakPolarHBondContact O-CB 3.28Å; F740-K743 PolarHBondContact O-N 3.28Å; F740-K743 VanDerWaalsContact O-N 3.12Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 3.07Å; K743-H745 VanDerWaalsContact C-N 3.34Å; K743-H745 PolarHBondContact O-N 3.36Å; K743-R746 PolarHBondContact O-N 2.99Å; K743-C747 PolarHBondContact O-N 3.23Å; K743-C747 VanDerWaalsContact O-N 3.09Å; K743-C747 PolarHBondContact O-SG 2.89Å |
| 744 | A | 87.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -50.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W716 Q717 F740 L741 R746 C747 E748 | W716-A744 HydrophobicContact CB-CB 3.67Å; Q717-A744 HydrophobicContact CG-CB 3.76Å; F740-A744 PolarHBondContact O-N 3.44Å; L741-A744 PolarHBondContact O-N 2.79Å; A744-R746 VanDerWaalsContact C-N 3.32Å; A744-R746 PolarHBondContact O-N 3.32Å; A744-C747 WeakPolarHBondContact O-CB 3.4Å; A744-C747 PolarHBondContact O-N 3.41Å; A744-C747 VanDerWaalsContact O-N 3.09Å; A744-E748 PolarHBondContact O-N 2.93Å |
| 745 | H | 85.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | -180 | -174.6 | 52.9 | 0 | 0 | 0 | 112.8 | L741 K743 C747 E748 V749 M771 | L741-H745 WeakPolarHBondContact O-CB 3.29Å; L741-H745 PolarHBondContact O-N 3.18Å; K743-H745 VanDerWaalsContact C-N 3.34Å; K743-H745 PolarHBondContact O-N 3.36Å; H745-C747 VanDerWaalsContact C-N 3.35Å; H745-C747 PolarHBondContact O-N 3.3Å; H745-E748 PolarHBondContact O-N 3.17Å; H745-V749 VanDerWaalsContact CE1-CG2 3.48Å; H745-V749 WeakPolarHBondContact CE1-CG2 3.32Å; H745-V749 WeakPolarHBondContact O-CG2 3.26Å; H745-V749 PolarHBondContact O-N 3.04Å; H745-M771 HydrophobicContact CB-SD 4Å |
| 746 | R | 85.8 | Confident | 83.1 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 174.4 | -72.8 | 173.9 | -163.7 | 174.4 | 4.9 | 112 | S742 K743 A744 E748 V749 Q750 | S742-R746 VanDerWaalsContact O-CG 3.3Å; S742-R746 WeakPolarHBondContact O-CG 3.27Å; S742-R746 PolarHBondContact O-N 3.08Å; K743-R746 PolarHBondContact O-N 2.99Å; A744-R746 VanDerWaalsContact C-N 3.32Å; A744-R746 PolarHBondContact O-N 3.32Å; R746-E748 VanDerWaalsContact C-N 3.34Å; R746-V749 PolarHBondContact O-N 3.3Å; R746-Q750 WeakPolarHBondContact O-CB 3.4Å; R746-Q750 WeakPolarHBondContact O-CG 3.26Å; R746-Q750 PolarHBondContact O-N 3.35Å; R746-Q750 VanDerWaalsContact O-N 3.07Å |
| 747 | C | 85.6 | Confident | 82.9 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.5 | -62 | 0 | 0 | 0 | 0 | 111.2 | S711 A713 K743 A744 H745 Q750 A751 | S711-C747 WeakPolarHBondContact O-CB 3.46Å; A713-C747 HydrophobicContact CB-CB 4Å; K743-C747 PolarHBondContact O-N 3.23Å; K743-C747 VanDerWaalsContact O-N 3.09Å; K743-C747 PolarHBondContact O-SG 2.89Å; A744-C747 WeakPolarHBondContact O-CB 3.4Å; A744-C747 PolarHBondContact O-N 3.41Å; A744-C747 VanDerWaalsContact O-N 3.09Å; H745-C747 VanDerWaalsContact C-N 3.35Å; H745-C747 PolarHBondContact O-N 3.3Å; C747-Q750 PolarHBondContact O-N 3.24Å; C747-A751 PolarHBondContact O-N 2.98Å |
| 748 | E | 83.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 177.8 | -68 | 174.5 | 174.6 | 0 | 0 | 112.8 | A713 Q717 A744 H745 R746 Q750 A751 W754 V764 R767 | A713-E748 HydrophobicContact CB-CG 3.43Å; A713-E748 VanDerWaalsContact CB-CG 3.43Å; Q717-E748 PolarHBondContact NE2-OE1 3.39Å; A744-E748 PolarHBondContact O-N 2.93Å; H745-E748 PolarHBondContact O-N 3.17Å; R746-E748 VanDerWaalsContact C-N 3.34Å; E748-Q750 PolarHBondContact O-N 2.8Å; E748-A751 WeakPolarHBondContact O-CB 3.33Å; E748-A751 PolarHBondContact O-N 2.99Å; E748-A751 VanDerWaalsContact O-N 3.16Å; E748-W754 PolarHBondContact O-NE1 3.12Å; E748-V764 HydrophobicContact CB-CG2 4.19Å; E748-R767 WeakPolarHBondContact OE1-CD 3.42Å; E748-R767 IonicContact OE1-CZ 3.77Å; E748-R767 IonicContact OE1-NE 3.93Å; E748-R767 IonicContact OE1-NH1 2.79Å; E748-R767 PolarHBondContact OE1-NH1 3.22Å |
| 749 | V | 83.1 | Confident | 82.5 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -31.1 | -179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | H745 R746 W754 L802 | H745-V749 VanDerWaalsContact CE1-CG2 3.48Å; H745-V749 WeakPolarHBondContact CE1-CG2 3.32Å; H745-V749 WeakPolarHBondContact O-CG2 3.26Å; H745-V749 PolarHBondContact O-N 3.04Å; R746-V749 PolarHBondContact O-N 3.3Å; V749-W754 HydrophobicContact CG1-CZ2 4.31Å; V749-W754 HydrophobicContact CG2-CZ2 4.49Å; V749-W754 PolarHBondContact O-NE1 3.02Å; V749-L802 HydrophobicContact CG2-CD2 4.28Å |
| 750 | Q | 82.4 | Confident | 82.1 | Confident | 161 Ų | 161 | 67.1 Ų | 67.1 | 75% | 0.752 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -77.9 | -20.3 | 175.6 | -73 | 175.8 | -7.7 | 0 | 0 | 113.4 | R746 C747 E748 | R746-Q750 WeakPolarHBondContact O-CB 3.4Å; R746-Q750 WeakPolarHBondContact O-CG 3.26Å; R746-Q750 PolarHBondContact O-N 3.35Å; R746-Q750 VanDerWaalsContact O-N 3.07Å; C747-Q750 PolarHBondContact O-N 3.24Å; E748-Q750 PolarHBondContact O-N 2.8Å |
| 751 | A | 77.6 | Confident | 81.8 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 45% | 0.446 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -66 | 142.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C747 E748 W754 | C747-A751 PolarHBondContact O-N 2.98Å; E748-A751 WeakPolarHBondContact O-CB 3.33Å; E748-A751 PolarHBondContact O-N 2.99Å; E748-A751 VanDerWaalsContact O-N 3.16Å; A751-W754 PolarHBondContact O-NE1 3.33Å |
| 752 | S | 71.1 | Confident | 81.7 | Confident | 124 Ų | 124 | 73 Ų | 73 | 87% | 0.867 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -84.2 | 132.4 | 178.7 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 753 | G | 73 | Confident | 81.5 | Confident | 44 Ų | 44 | 76 Ų | 76 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 107.8 | -13 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | E755 K756 | G753-E755 PolarHBondContact O-N 3.18Å; G753-K756 PolarHBondContact O-N 3.11Å |
| 754 | W | 78.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 5% | 0.053 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.8 | 178.9 | 66.4 | -93.7 | 0 | 0 | 0 | 113.7 | E748 V749 A751 K756 L760 F761 V764 L802 K805 | E748-W754 PolarHBondContact O-NE1 3.12Å; V749-W754 HydrophobicContact CG1-CZ2 4.31Å; V749-W754 HydrophobicContact CG2-CZ2 4.49Å; V749-W754 PolarHBondContact O-NE1 3.02Å; A751-W754 PolarHBondContact O-NE1 3.33Å; W754-K756 VanDerWaalsContact C-N 3.27Å; W754-K756 PolarHBondContact O-N 2.73Å; W754-L760 HydrophobicContact CB-CB 4.25Å; W754-F761 AromaticContact CE3-CD2 3.61Å; W754-F761 HydrophobicContact CE3-CD2 3.61Å; W754-F761 HydrophobicContact CE3-CE2 4.11Å; W754-F761 HydrophobicContact CH2-CE2 4.31Å; W754-F761 AromaticContact CZ3-CD2 3.44Å; W754-F761 HydrophobicContact CZ3-CD2 3.44Å; W754-F761 VanDerWaalsContact CZ3-CD2 3.44Å; W754-F761 AromaticContact CZ3-CE2 3.44Å; W754-F761 HydrophobicContact CZ3-CE2 3.44Å; W754-F761 VanDerWaalsContact CZ3-CE2 3.44Å; W754-V764 HydrophobicContact CB-CG2 4.4Å; W754-V764 HydrophobicContact CD2-CG2 4.4Å; W754-V764 HydrophobicContact CE3-CB 4.22Å; W754-V764 HydrophobicContact CE3-CG1 4.19Å; W754-V764 HydrophobicContact CE3-CG2 4.22Å; W754-V764 HydrophobicContact CG-CG2 4.48Å; W754-V764 HydrophobicContact CZ3-CG1 4.15Å; W754-L802 HydrophobicContact CH2-CD2 3.56Å; W754-L802 HydrophobicContact CZ2-CD2 4.44Å; W754-L802 HydrophobicContact CZ3-CD2 4Å; W754-K805 HydrophobicContact CH2-CD 3.77Å; W754-K805 HydrophobicContact CZ2-CD 4.08Å |
| 755 | E | 78.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.4 | 178.6 | -62.2 | 179.4 | 178 | 0 | 0 | 113.2 | G753 K805 | G753-E755 PolarHBondContact O-N 3.18Å; E755-K805 WeakPolarHBondContact OE1-CD 3.35Å; E755-K805 VanDerWaalsContact OE1-CE 3.26Å; E755-K805 WeakPolarHBondContact OE1-CE 3.32Å; E755-K805 IonicContact OE1-NZ 2.65Å; E755-K805 PolarHBondContact OE1-NZ 3.15Å |
| 756 | K | 77.6 | Confident | 81.2 | Confident | 192 Ų | 192 | 82.3 Ų | 82.3 | 84% | 0.835 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -22 | -174.8 | -63.1 | -176.5 | -178.9 | -179.8 | 0 | 113.2 | G753 W754 | G753-K756 PolarHBondContact O-N 3.11Å; W754-K756 VanDerWaalsContact C-N 3.27Å; W754-K756 PolarHBondContact O-N 2.73Å |
| 757 | D | 80.8 | Confident | 81.1 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | trans | -97.8 | 114.4 | 178.7 | -177.2 | -12.7 | 0 | 0 | 0 | 110 | V759 L760 F761 | D757-V759 PolarHBondContact O-N 2.74Å; D757-V759 VanDerWaalsContact O-N 3.17Å; D757-V759 WeakPolarHBondContact OD1-CB 3.42Å; D757-V759 PolarHBondContact OD1-N 3.28Å; D757-L760 HydrophobicContact CB-CB 4.14Å; D757-L760 HydrophobicContact CB-CD1 4Å; D757-L760 HydrophobicContact CB-CG 4.19Å; D757-L760 PolarHBondContact O-N 2.87Å; D757-F761 VanDerWaalsContact O-CB 3.26Å; D757-F761 WeakPolarHBondContact O-CB 3.4Å; D757-F761 PolarHBondContact O-N 3.34Å | ||
| 758 | P | 80.9 | Confident | 81 | Confident | 103 Ų | 103 | 77 Ų | 77 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.3 | -29.7 | 179.5 | -22.9 | 32.6 | 0 | 0 | 0 | 114.2 | K762 | P758-K762 WeakPolarHBondContact O-CB 3.12Å; P758-K762 PolarHBondContact O-N 3.23Å; P758-K762 VanDerWaalsContact O-N 3.15Å |
| 759 | V | 82.8 | Confident | 81 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -73.6 | -52.5 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | D757 F761 K762 E763 | D757-V759 PolarHBondContact O-N 2.74Å; D757-V759 VanDerWaalsContact O-N 3.17Å; D757-V759 WeakPolarHBondContact OD1-CB 3.42Å; D757-V759 PolarHBondContact OD1-N 3.28Å; V759-F761 VanDerWaalsContact C-N 3.31Å; V759-F761 PolarHBondContact O-N 3.23Å; V759-K762 WeakPolarHBondContact O-CB 3.38Å; V759-K762 PolarHBondContact O-N 3.02Å; V759-E763 PolarHBondContact O-N 3.09Å |
| 760 | L | 80.6 | Confident | 81 | Confident | 75 Ų | 75 | 81 Ų | 81 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 176.9 | -66.1 | 174.5 | 0 | 0 | 0 | 111.4 | W754 D757 K762 E763 V764 | W754-L760 HydrophobicContact CB-CB 4.25Å; D757-L760 HydrophobicContact CB-CB 4.14Å; D757-L760 HydrophobicContact CB-CD1 4Å; D757-L760 HydrophobicContact CB-CG 4.19Å; D757-L760 PolarHBondContact O-N 2.87Å; L760-K762 VanDerWaalsContact C-N 3.32Å; L760-K762 PolarHBondContact O-N 3.01Å; L760-E763 PolarHBondContact O-N 2.85Å; L760-V764 WeakPolarHBondContact O-CG2 3.44Å; L760-V764 PolarHBondContact O-N 3.47Å |
| 761 | F | 83.1 | Confident | 81.2 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 175.6 | -169.4 | -100.2 | 0 | 0 | 0 | 112.1 | W754 D757 V759 V764 I765 A806 | W754-F761 AromaticContact CE3-CD2 3.61Å; W754-F761 HydrophobicContact CE3-CD2 3.61Å; W754-F761 HydrophobicContact CE3-CE2 4.11Å; W754-F761 HydrophobicContact CH2-CE2 4.31Å; W754-F761 AromaticContact CZ3-CD2 3.44Å; W754-F761 HydrophobicContact CZ3-CD2 3.44Å; W754-F761 VanDerWaalsContact CZ3-CD2 3.44Å; W754-F761 AromaticContact CZ3-CE2 3.44Å; W754-F761 HydrophobicContact CZ3-CE2 3.44Å; W754-F761 VanDerWaalsContact CZ3-CE2 3.44Å; D757-F761 VanDerWaalsContact O-CB 3.26Å; D757-F761 WeakPolarHBondContact O-CB 3.4Å; D757-F761 PolarHBondContact O-N 3.34Å; V759-F761 VanDerWaalsContact C-N 3.31Å; V759-F761 PolarHBondContact O-N 3.23Å; F761-V764 PolarHBondContact O-N 3.42Å; F761-I765 HydrophobicContact CD1-CD1 3.71Å; F761-I765 HydrophobicContact CE1-CD1 3.2Å; F761-I765 HydrophobicContact CE1-CG1 4.24Å; F761-I765 HydrophobicContact CZ-CD1 3.73Å; F761-I765 HydrophobicContact CZ-CG1 4.5Å; F761-I765 WeakPolarHBondContact O-CG1 3.12Å; F761-I765 PolarHBondContact O-N 2.98Å; F761-I765 VanDerWaalsContact O-N 3.08Å; F761-A806 HydrophobicContact CE1-CB 3.75Å; F761-A806 VanDerWaalsContact CZ-CA 3.47Å; F761-A806 HydrophobicContact CZ-CB 3.56Å |
| 762 | K | 83.9 | Confident | 81.4 | Confident | 147 Ų | 147 | 71.4 Ų | 71.4 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 176.9 | -171.5 | 177.2 | -178.9 | 178.7 | 0 | 111.9 | P758 V759 L760 R766 | P758-K762 WeakPolarHBondContact O-CB 3.12Å; P758-K762 PolarHBondContact O-N 3.23Å; P758-K762 VanDerWaalsContact O-N 3.15Å; V759-K762 WeakPolarHBondContact O-CB 3.38Å; V759-K762 PolarHBondContact O-N 3.02Å; L760-K762 VanDerWaalsContact C-N 3.32Å; L760-K762 PolarHBondContact O-N 3.01Å; K762-R766 WeakPolarHBondContact O-CB 3.05Å; K762-R766 PolarHBondContact O-N 3.32Å |
| 763 | E | 83 | Confident | 82 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.3 | -79.1 | -171.3 | 143.1 | 0 | 0 | 112.5 | V759 L760 I765 R766 R767 | V759-E763 PolarHBondContact O-N 3.09Å; L760-E763 PolarHBondContact O-N 2.85Å; E763-I765 VanDerWaalsContact C-N 3.31Å; E763-I765 PolarHBondContact O-N 3.26Å; E763-R766 PolarHBondContact O-N 3.35Å; E763-R766 VanDerWaalsContact O-N 3.13Å; E763-R767 WeakPolarHBondContact O-CB 3.5Å; E763-R767 VanDerWaalsContact O-CG 3.26Å; E763-R767 WeakPolarHBondContact O-CG 3.4Å; E763-R767 PolarHBondContact O-N 3.03Å |
| 764 | V | 84.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | E748 W754 L760 F761 A768 L802 | E748-V764 HydrophobicContact CB-CG2 4.19Å; W754-V764 HydrophobicContact CB-CG2 4.4Å; W754-V764 HydrophobicContact CD2-CG2 4.4Å; W754-V764 HydrophobicContact CE3-CB 4.22Å; W754-V764 HydrophobicContact CE3-CG1 4.19Å; W754-V764 HydrophobicContact CE3-CG2 4.22Å; W754-V764 HydrophobicContact CG-CG2 4.48Å; W754-V764 HydrophobicContact CZ3-CG1 4.15Å; L760-V764 WeakPolarHBondContact O-CG2 3.44Å; L760-V764 PolarHBondContact O-N 3.47Å; F761-V764 PolarHBondContact O-N 3.42Å; V764-A768 WeakPolarHBondContact O-CB 3.37Å; V764-A768 PolarHBondContact O-N 3.45Å; V764-L802 HydrophobicContact CG1-CD2 4.04Å |
| 765 | I | 84 | Confident | 82.7 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.9 | -72.7 | 178.5 | 0 | 0 | 0 | 111.1 | F761 E763 R767 A768 I769 | F761-I765 HydrophobicContact CD1-CD1 3.71Å; F761-I765 HydrophobicContact CE1-CD1 3.2Å; F761-I765 HydrophobicContact CE1-CG1 4.24Å; F761-I765 HydrophobicContact CZ-CD1 3.73Å; F761-I765 HydrophobicContact CZ-CG1 4.5Å; F761-I765 WeakPolarHBondContact O-CG1 3.12Å; F761-I765 PolarHBondContact O-N 2.98Å; F761-I765 VanDerWaalsContact O-N 3.08Å; E763-I765 VanDerWaalsContact C-N 3.31Å; E763-I765 PolarHBondContact O-N 3.26Å; I765-R767 VanDerWaalsContact C-N 3.33Å; I765-R767 PolarHBondContact O-N 3.48Å; I765-A768 PolarHBondContact O-N 3.45Å; I765-I769 HydrophobicContact CG2-CD1 3.81Å; I765-I769 HydrophobicContact CG2-CG1 4.4Å; I765-I769 WeakPolarHBondContact O-CG1 3.46Å; I765-I769 PolarHBondContact O-N 3.17Å |
| 766 | R | 85.1 | Confident | 82.9 | Confident | 176 Ų | 176 | 68.5 Ų | 68.5 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | -179.2 | -163.9 | -177.2 | -142.6 | 157.2 | 2 | 111.1 | K762 E763 A768 I769 T770 | K762-R766 WeakPolarHBondContact O-CB 3.05Å; K762-R766 PolarHBondContact O-N 3.32Å; E763-R766 PolarHBondContact O-N 3.35Å; E763-R766 VanDerWaalsContact O-N 3.13Å; R766-A768 PolarHBondContact O-N 3.1Å; R766-I769 PolarHBondContact O-N 3.34Å; R766-T770 PolarHBondContact O-N 3.33Å; R766-T770 PolarHBondContact O-OG1 2.95Å; R766-T770 VanDerWaalsContact O-OG1 3.05Å |
| 767 | R | 83.2 | Confident | 83.1 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.3 | -69.4 | 167.4 | 170.7 | -151.6 | -1.6 | 111.6 | E714 E748 E763 I765 T770 M771 | E714-R767 VanDerWaalsContact CD-NH2 3.33Å; E714-R767 IonicContact OE1-CZ 2.68Å; E714-R767 IonicContact OE1-NH1 3.79Å; E714-R767 IonicContact OE1-NH2 3.79Å; E714-R767 PolarHBondContact OE1-NH2 2.88Å; E714-R767 IonicContact OE2-CZ 3.54Å; E714-R767 IonicContact OE2-NH1 3.42Å; E714-R767 PolarHBondContact OE2-NH1 3.3Å; E714-R767 IonicContact OE2-NH2 3.69Å; E714-R767 PolarHBondContact OE2-NH2 3.25Å; E714-R767 VanDerWaalsContact OE2-NH2 3.1Å; E748-R767 WeakPolarHBondContact OE1-CD 3.42Å; E748-R767 IonicContact OE1-CZ 3.77Å; E748-R767 IonicContact OE1-NE 3.93Å; E748-R767 IonicContact OE1-NH1 2.79Å; E748-R767 PolarHBondContact OE1-NH1 3.22Å; E763-R767 WeakPolarHBondContact O-CB 3.5Å; E763-R767 VanDerWaalsContact O-CG 3.26Å; E763-R767 WeakPolarHBondContact O-CG 3.4Å; E763-R767 PolarHBondContact O-N 3.03Å; I765-R767 VanDerWaalsContact C-N 3.33Å; I765-R767 PolarHBondContact O-N 3.48Å; R767-T770 PolarHBondContact O-N 3.4Å; R767-M771 PolarHBondContact O-N 3.42Å |
| 768 | A | 83.8 | Confident | 83 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V764 I765 R766 M771 G772 L799 L802 | V764-A768 WeakPolarHBondContact O-CB 3.37Å; V764-A768 PolarHBondContact O-N 3.45Å; I765-A768 PolarHBondContact O-N 3.45Å; R766-A768 PolarHBondContact O-N 3.1Å; A768-M771 PolarHBondContact O-N 3.1Å; A768-G772 PolarHBondContact O-N 3.03Å; A768-L799 HydrophobicContact CB-CD2 3.84Å; A768-L802 HydrophobicContact CB-CD1 3.32Å |
| 769 | I | 84.8 | Confident | 82.9 | Confident | 79 Ų | 79 | 54 Ų | 54 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 173.4 | -68.4 | 165.8 | 0 | 0 | 0 | 109.9 | I765 R766 M771 G772 E773 L799 | I765-I769 HydrophobicContact CG2-CD1 3.81Å; I765-I769 HydrophobicContact CG2-CG1 4.4Å; I765-I769 WeakPolarHBondContact O-CG1 3.46Å; I765-I769 PolarHBondContact O-N 3.17Å; R766-I769 PolarHBondContact O-N 3.34Å; I769-M771 VanDerWaalsContact C-N 3.31Å; I769-M771 PolarHBondContact O-N 3.44Å; I769-G772 CarbonylContact O-C 3.57Å; I769-G772 WeakPolarHBondContact O-CA 3.41Å; I769-G772 PolarHBondContact O-N 2.92Å; I769-E773 HydrophobicContact CG2-CG 4.45Å; I769-E773 PolarHBondContact O-N 3.47Å; I769-L799 HydrophobicContact CG1-CD2 4.33Å |
| 770 | T | 82.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.2 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | R766 R767 G772 E773 V774 | R766-T770 PolarHBondContact O-N 3.33Å; R766-T770 PolarHBondContact O-OG1 2.95Å; R766-T770 VanDerWaalsContact O-OG1 3.05Å; R767-T770 PolarHBondContact O-N 3.4Å; T770-G772 VanDerWaalsContact C-N 3.31Å; T770-G772 PolarHBondContact O-N 3.3Å; T770-E773 PolarHBondContact O-N 2.97Å; T770-V774 VanDerWaalsContact O-CG2 3.24Å; T770-V774 WeakPolarHBondContact O-CG2 3.44Å; T770-V774 PolarHBondContact O-N 3.31Å |
| 771 | M | 85.6 | Confident | 82.4 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 172.1 | 179.9 | -170.5 | 67.3 | 0 | 0 | 111.8 | L738 L741 H745 R767 A768 I769 V774 S775 | L738-M771 HydrophobicContact CD1-CG 4.1Å; L741-M771 HydrophobicContact CB-CB 4.42Å; L741-M771 HydrophobicContact CB-CG 4.19Å; H745-M771 HydrophobicContact CB-SD 4Å; R767-M771 PolarHBondContact O-N 3.42Å; A768-M771 PolarHBondContact O-N 3.1Å; I769-M771 VanDerWaalsContact C-N 3.31Å; I769-M771 PolarHBondContact O-N 3.44Å; M771-V774 PolarHBondContact O-N 3.33Å; M771-S775 PolarHBondContact O-N 3.43Å; M771-S775 PolarHBondContact O-OG 2.75Å; M771-S775 VanDerWaalsContact O-OG 3.11Å |
| 772 | G | 82.6 | Confident | 82 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A768 I769 T770 S775 I776 | A768-G772 PolarHBondContact O-N 3.03Å; I769-G772 CarbonylContact O-C 3.57Å; I769-G772 WeakPolarHBondContact O-CA 3.41Å; I769-G772 PolarHBondContact O-N 2.92Å; T770-G772 VanDerWaalsContact C-N 3.31Å; T770-G772 PolarHBondContact O-N 3.3Å; G772-S775 WeakPolarHBondContact O-CB 3.44Å; G772-S775 PolarHBondContact O-N 3.01Å; G772-I776 WeakPolarHBondContact O-CG1 3.32Å; G772-I776 PolarHBondContact O-N 3.29Å |
| 773 | E | 83.9 | Confident | 81.4 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.3 | -70.2 | 173.2 | 176.9 | 0 | 0 | 111.6 | I769 T770 I776 S777 | I769-E773 HydrophobicContact CG2-CG 4.45Å; I769-E773 PolarHBondContact O-N 3.47Å; T770-E773 PolarHBondContact O-N 2.97Å; E773-I776 PolarHBondContact O-N 2.88Å; E773-S777 PolarHBondContact O-N 3.43Å; E773-S777 VanDerWaalsContact O-N 3.08Å |
| 774 | V | 82.7 | Confident | 81.3 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | G725 L738 L741 T770 M771 I776 S777 C778 | G725-V774 WeakPolarHBondContact O-CG2 3.37Å; L738-V774 HydrophobicContact CB-CG1 4.19Å; L738-V774 HydrophobicContact CD1-CG1 4.19Å; L741-V774 HydrophobicContact CD1-CB 4.32Å; L741-V774 HydrophobicContact CD1-CG1 4.31Å; L741-V774 HydrophobicContact CD1-CG2 4.04Å; T770-V774 VanDerWaalsContact O-CG2 3.24Å; T770-V774 WeakPolarHBondContact O-CG2 3.44Å; T770-V774 PolarHBondContact O-N 3.31Å; M771-V774 PolarHBondContact O-N 3.33Å; V774-I776 VanDerWaalsContact C-N 3.3Å; V774-I776 PolarHBondContact O-N 3.43Å; V774-S777 PolarHBondContact O-N 3.41Å; V774-C778 PolarHBondContact O-N 2.99Å; V774-C778 PolarHBondContact O-SG 3.36Å |
| 775 | S | 82.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 175 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | L738 M771 G772 S779 S795 | L738-S775 WeakPolarHBondContact CD1-OG 3.44Å; M771-S775 PolarHBondContact O-N 3.43Å; M771-S775 PolarHBondContact O-OG 2.75Å; M771-S775 VanDerWaalsContact O-OG 3.11Å; G772-S775 WeakPolarHBondContact O-CB 3.44Å; G772-S775 PolarHBondContact O-N 3.01Å; S775-S779 VanDerWaalsContact O-CB 3.23Å; S775-S779 WeakPolarHBondContact O-CB 3.47Å; S775-S779 PolarHBondContact O-N 3.11Å; S775-S779 PolarHBondContact O-OG 3.04Å; S775-S795 VanDerWaalsContact CB-OG 3.24Å; S775-S795 WeakPolarHBondContact CB-OG 3.29Å; S775-S795 PolarHBondContact OG-OG 3.49Å |
| 776 | I | 82.8 | Confident | 80.5 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 175.9 | -66.8 | 164.8 | 0 | 0 | 0 | 109.7 | G772 E773 V774 C778 S779 E780 L792 | G772-I776 WeakPolarHBondContact O-CG1 3.32Å; G772-I776 PolarHBondContact O-N 3.29Å; E773-I776 PolarHBondContact O-N 2.88Å; V774-I776 VanDerWaalsContact C-N 3.3Å; V774-I776 PolarHBondContact O-N 3.43Å; I776-C778 VanDerWaalsContact C-N 3.33Å; I776-C778 PolarHBondContact O-N 3.46Å; I776-S779 WeakPolarHBondContact O-CB 3.19Å; I776-S779 PolarHBondContact O-N 2.99Å; I776-S779 VanDerWaalsContact O-N 3.08Å; I776-S779 PolarHBondContact O-OG 2.94Å; I776-E780 PolarHBondContact O-N 3.48Å; I776-E780 VanDerWaalsContact O-N 3.16Å; I776-L792 HydrophobicContact CG1-CD2 3.89Å |
| 777 | S | 81.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 180 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | E773 V774 | E773-S777 PolarHBondContact O-N 3.43Å; E773-S777 VanDerWaalsContact O-N 3.08Å; V774-S777 PolarHBondContact O-N 3.41Å |
| 778 | C | 79.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 175 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L738 V774 I776 E780 K781 K782 | L738-C778 HydrophobicContact CD2-CB 4.29Å; V774-C778 PolarHBondContact O-N 2.99Å; V774-C778 PolarHBondContact O-SG 3.36Å; I776-C778 VanDerWaalsContact C-N 3.33Å; I776-C778 PolarHBondContact O-N 3.46Å; C778-E780 VanDerWaalsContact C-N 3.3Å; C778-E780 PolarHBondContact O-N 3.08Å; C778-K781 PolarHBondContact O-N 3.35Å; C778-K782 PolarHBondContact O-N 2.97Å |
| 779 | S | 78.6 | Confident | 79.5 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 8% | 0.077 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -31.6 | -178.3 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | S775 I776 S788 | S775-S779 VanDerWaalsContact O-CB 3.23Å; S775-S779 WeakPolarHBondContact O-CB 3.47Å; S775-S779 PolarHBondContact O-N 3.11Å; S775-S779 PolarHBondContact O-OG 3.04Å; I776-S779 WeakPolarHBondContact O-CB 3.19Å; I776-S779 PolarHBondContact O-N 2.99Å; I776-S779 VanDerWaalsContact O-N 3.08Å; I776-S779 PolarHBondContact O-OG 2.94Å; S779-S788 VanDerWaalsContact CB-OG 3.28Å; S779-S788 WeakPolarHBondContact CB-OG 3.44Å; S779-S788 PolarHBondContact O-OG 2.96Å |
| 780 | E | 78.1 | Confident | 79.3 | Confident | 150 Ų | 150 | 65 Ų | 65 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -72.6 | -27.3 | 177.5 | -70.9 | 174.4 | 169.7 | 0 | 0 | 112.9 | I776 C778 | I776-E780 PolarHBondContact O-N 3.48Å; I776-E780 VanDerWaalsContact O-N 3.16Å; C778-E780 VanDerWaalsContact C-N 3.3Å; C778-E780 PolarHBondContact O-N 3.08Å |
| 781 | K | 74.8 | Confident | 79.1 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -92.3 | -7.8 | -177.8 | -64.4 | -178.7 | -176.6 | 175.6 | 0 | 113.5 | C778 | C778-K781 PolarHBondContact O-N 3.35Å |
| 782 | K | 75.3 | Confident | 78.8 | Confident | 57 Ų | 57 | 67 Ų | 67 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | trans | -81.3 | 135 | -179.5 | -78.8 | -158.5 | 169.4 | -153.4 | 0 | 112.3 | D735 C778 E787 L791 | D735-K782 VanDerWaalsContact OD2-CE 3.26Å; D735-K782 WeakPolarHBondContact OD2-CE 3.35Å; D735-K782 IonicContact OD2-NZ 3.43Å; D735-K782 PolarHBondContact OD2-NZ 3.46Å; C778-K782 PolarHBondContact O-N 2.97Å; K782-E787 HydrophobicContact CD-CB 4.08Å; K782-E787 IonicContact NZ-OE2 2.87Å; K782-E787 PolarHBondContact NZ-OE2 3.25Å; K782-L791 HydrophobicContact CD-CD1 3.91Å | ||
| 783 | T | 70.9 | Confident | 78.8 | Confident | 149 Ų | 149 | 68.8 Ų | 68.8 | 91% | 0.914 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -76.4 | -22.6 | 177 | 50 | 0 | 0 | 0 | 0 | 113.2 | P785 | T783-P785 WeakPolarHBondContact O-CD 3.39Š|
| 784 | N | 79.9 | Confident | 78.7 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | trans | -98.6 | 113 | -179.9 | -173 | -3.4 | 0 | 0 | 0 | 111.9 | A786 E787 S788 | N784-A786 VanDerWaalsContact C-N 3.29Å; N784-A786 PolarHBondContact O-N 2.95Å; N784-A786 PolarHBondContact OD1-N 3.43Å; N784-A786 VanDerWaalsContact OD1-N 3.15Å; N784-E787 HydrophobicContact CB-CB 4.41Å; N784-E787 HydrophobicContact CB-CG 4.38Å; N784-E787 PolarHBondContact ND2-OE1 3.47Å; N784-E787 PolarHBondContact O-N 2.98Å; N784-S788 PolarHBondContact O-N 3.29Å | ||
| 785 | P | 75.6 | Confident | 78.6 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.8 | -25.8 | -178.6 | 23.5 | -31.7 | 0 | 0 | 0 | 113.9 | T783 L789 | T783-P785 WeakPolarHBondContact O-CD 3.39Å; P785-L789 PolarHBondContact O-N 3.41Å; P785-L789 VanDerWaalsContact O-N 3.11Å |
| 786 | A | 77.1 | Confident | 78.7 | Confident | 63 Ų | 63 | 75 Ų | 75 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N784 L789 Q790 | N784-A786 VanDerWaalsContact C-N 3.29Å; N784-A786 PolarHBondContact O-N 2.95Å; N784-A786 PolarHBondContact OD1-N 3.43Å; N784-A786 VanDerWaalsContact OD1-N 3.15Å; A786-L789 PolarHBondContact O-N 3.11Å; A786-Q790 PolarHBondContact O-N 3.29Å; A786-Q790 VanDerWaalsContact O-N 3.1Å |
| 787 | E | 75.3 | Confident | 78.7 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.3 | -74 | 174.3 | -142.2 | 0 | 0 | 112.2 | K782 N784 Q790 L791 | K782-E787 HydrophobicContact CD-CB 4.08Å; K782-E787 IonicContact NZ-OE2 2.87Å; K782-E787 PolarHBondContact NZ-OE2 3.25Å; N784-E787 HydrophobicContact CB-CB 4.41Å; N784-E787 HydrophobicContact CB-CG 4.38Å; N784-E787 PolarHBondContact ND2-OE1 3.47Å; N784-E787 PolarHBondContact O-N 2.98Å; E787-Q790 PolarHBondContact O-N 3.22Å; E787-L791 WeakPolarHBondContact O-CG 3.46Å; E787-L791 PolarHBondContact O-N 2.9Å |
| 788 | S | 75.3 | Confident | 78.7 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | S779 N784 Q790 L791 L792 | S779-S788 VanDerWaalsContact CB-OG 3.28Å; S779-S788 WeakPolarHBondContact CB-OG 3.44Å; S779-S788 PolarHBondContact O-OG 2.96Å; N784-S788 PolarHBondContact O-N 3.29Å; S788-Q790 PolarHBondContact O-N 3.34Å; S788-L791 PolarHBondContact O-N 3.46Å; S788-L792 WeakPolarHBondContact O-CG 3.3Å; S788-L792 PolarHBondContact O-N 3.44Å; S788-L792 VanDerWaalsContact O-N 3.12Å |
| 789 | L | 79.3 | Confident | 78.8 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 173.9 | -83.7 | 162.4 | 0 | 0 | 0 | 113 | P785 A786 S793 | P785-L789 PolarHBondContact O-N 3.41Å; P785-L789 VanDerWaalsContact O-N 3.11Å; A786-L789 PolarHBondContact O-N 3.11Å; L789-S793 VanDerWaalsContact O-CB 3.27Å; L789-S793 WeakPolarHBondContact O-CB 3.48Å; L789-S793 PolarHBondContact O-N 3.38Å; L789-S793 PolarHBondContact O-OG 3.47Å; L789-S793 VanDerWaalsContact O-OG 3.12Å |
| 790 | Q | 81.7 | Confident | 79 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 64% | 0.64 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 178.9 | -168.6 | 176.9 | 1.5 | 0 | 0 | 111.9 | A786 E787 S788 S793 S794 | A786-Q790 PolarHBondContact O-N 3.29Å; A786-Q790 VanDerWaalsContact O-N 3.1Å; E787-Q790 PolarHBondContact O-N 3.22Å; S788-Q790 PolarHBondContact O-N 3.34Å; Q790-S793 PolarHBondContact O-N 2.99Å; Q790-S793 PolarHBondContact O-OG 3.32Å; Q790-S794 WeakPolarHBondContact O-CB 3.38Å; Q790-S794 PolarHBondContact O-N 3.02Å; Q790-S794 VanDerWaalsContact O-N 3.09Å |
| 791 | L | 78.4 | Confident | 79.3 | Confident | 45 Ų | 45 | 82 Ų | 82 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.3 | -74.6 | 164.8 | 0 | 0 | 0 | 112.5 | L738 K782 E787 S788 S795 | L738-L791 HydrophobicContact CD2-CD2 3.8Å; K782-L791 HydrophobicContact CD-CD1 3.91Å; E787-L791 WeakPolarHBondContact O-CG 3.46Å; E787-L791 PolarHBondContact O-N 2.9Å; S788-L791 PolarHBondContact O-N 3.46Å; L791-S795 PolarHBondContact O-N 3.11Å; L791-S795 VanDerWaalsContact O-N 3.13Å; L791-S795 PolarHBondContact O-OG 2.64Å |
| 792 | L | 80.1 | Confident | 79.6 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 178.3 | -70.5 | 171.3 | 0 | 0 | 0 | 111.8 | I776 S788 S795 R796 | I776-L792 HydrophobicContact CG1-CD2 3.89Å; S788-L792 WeakPolarHBondContact O-CG 3.3Å; S788-L792 PolarHBondContact O-N 3.44Å; S788-L792 VanDerWaalsContact O-N 3.12Å; L792-S795 PolarHBondContact O-N 3.44Å; L792-R796 VanDerWaalsContact O-CB 3.29Å; L792-R796 WeakPolarHBondContact O-CB 3.4Å; L792-R796 PolarHBondContact O-N 3.09Å |
| 793 | S | 82.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.8 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | L789 Q790 R796 L797 | L789-S793 VanDerWaalsContact O-CB 3.27Å; L789-S793 WeakPolarHBondContact O-CB 3.48Å; L789-S793 PolarHBondContact O-N 3.38Å; L789-S793 PolarHBondContact O-OG 3.47Å; L789-S793 VanDerWaalsContact O-OG 3.12Å; Q790-S793 PolarHBondContact O-N 2.99Å; Q790-S793 PolarHBondContact O-OG 3.32Å; S793-R796 PolarHBondContact O-N 2.94Å; S793-L797 WeakPolarHBondContact O-CG 3.3Å; S793-L797 PolarHBondContact O-N 3.02Å; S793-L797 VanDerWaalsContact O-N 3.08Å |
| 794 | S | 81.9 | Confident | 80.2 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | Q790 R796 L797 S798 | Q790-S794 WeakPolarHBondContact O-CB 3.38Å; Q790-S794 PolarHBondContact O-N 3.02Å; Q790-S794 VanDerWaalsContact O-N 3.09Å; S794-R796 VanDerWaalsContact C-N 3.33Å; S794-R796 PolarHBondContact O-N 3.22Å; S794-L797 PolarHBondContact O-N 3.01Å; S794-S798 PolarHBondContact O-N 3.11Å; S794-S798 VanDerWaalsContact O-N 3.15Å; S794-S798 PolarHBondContact O-OG 2.84Å |
| 795 | S | 80.8 | Confident | 80 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -180 | -54 | 0 | 0 | 0 | 0 | 112 | S775 L791 L792 L797 S798 L799 | S775-S795 VanDerWaalsContact CB-OG 3.24Å; S775-S795 WeakPolarHBondContact CB-OG 3.29Å; S775-S795 PolarHBondContact OG-OG 3.49Å; L791-S795 PolarHBondContact O-N 3.11Å; L791-S795 VanDerWaalsContact O-N 3.13Å; L791-S795 PolarHBondContact O-OG 2.64Å; L792-S795 PolarHBondContact O-N 3.44Å; S795-L797 PolarHBondContact O-N 3.37Å; S795-S798 PolarHBondContact O-N 2.9Å; S795-L799 PolarHBondContact O-N 3.19Å |
| 796 | R | 83.4 | Confident | 79.7 | Confident | 176 Ų | 176 | 70.5 Ų | 70.5 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 175.1 | -175.8 | -179.7 | 68.5 | 169.5 | -0.3 | 112.4 | L792 S793 S794 R800 | L792-R796 VanDerWaalsContact O-CB 3.29Å; L792-R796 WeakPolarHBondContact O-CB 3.4Å; L792-R796 PolarHBondContact O-N 3.09Å; S793-R796 PolarHBondContact O-N 2.94Å; S794-R796 VanDerWaalsContact C-N 3.33Å; S794-R796 PolarHBondContact O-N 3.22Å; R796-R800 VanDerWaalsContact O-CB 3.28Å; R796-R800 WeakPolarHBondContact O-CB 3.31Å; R796-R800 PolarHBondContact O-N 3.1Å |
| 797 | L | 83.1 | Confident | 79.2 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 59% | 0.586 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 177.8 | -76 | 163.5 | 0 | 0 | 0 | 111.3 | S793 S794 S795 R800 S801 | S793-L797 WeakPolarHBondContact O-CG 3.3Å; S793-L797 PolarHBondContact O-N 3.02Å; S793-L797 VanDerWaalsContact O-N 3.08Å; S794-L797 PolarHBondContact O-N 3.01Å; S795-L797 PolarHBondContact O-N 3.37Å; L797-R800 PolarHBondContact O-N 3.49Å; L797-S801 PolarHBondContact O-N 3.23Å |
| 798 | S | 81.1 | Confident | 78.4 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | S794 S795 R800 S801 L802 | S794-S798 PolarHBondContact O-N 3.11Å; S794-S798 VanDerWaalsContact O-N 3.15Å; S794-S798 PolarHBondContact O-OG 2.84Å; S795-S798 PolarHBondContact O-N 2.9Å; S798-R800 PolarHBondContact O-N 2.73Å; S798-S801 PolarHBondContact O-N 3.13Å; S798-S801 PolarHBondContact O-OG 3.04Å; S798-L802 PolarHBondContact O-N 2.85Å |
| 799 | L | 82.3 | Confident | 77.3 | Confident | 59 Ų | 59 | 80.3 Ų | 80.3 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.2 | -73.9 | 170 | 0 | 0 | 0 | 112.8 | A768 I769 S795 S801 L802 A803 | A768-L799 HydrophobicContact CB-CD2 3.84Å; I769-L799 HydrophobicContact CG1-CD2 4.33Å; S795-L799 PolarHBondContact O-N 3.19Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 2.92Å; L799-L802 PolarHBondContact O-N 3.01Å; L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 2.95Å |
| 800 | R | 83.6 | Confident | 75.6 | Confident | 182 Ų | 182 | 81.3 Ų | 81.3 | 69% | 0.687 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 177.2 | -170.7 | 175.7 | -178.2 | 176.3 | 0.9 | 111.7 | R796 L797 S798 A803 T804 | R796-R800 VanDerWaalsContact O-CB 3.28Å; R796-R800 WeakPolarHBondContact O-CB 3.31Å; R796-R800 PolarHBondContact O-N 3.1Å; L797-R800 PolarHBondContact O-N 3.49Å; S798-R800 PolarHBondContact O-N 2.73Å; R800-A803 PolarHBondContact O-N 3.46Å; R800-T804 PolarHBondContact O-N 2.9Å; R800-T804 PolarHBondContact O-OG1 3.36Å |
| 801 | S | 82.4 | Confident | 75.3 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 34% | 0.343 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65 | -39 | 178.2 | 80.2 | 0 | 0 | 0 | 0 | 112.8 | L797 S798 L799 T804 K805 | L797-S801 PolarHBondContact O-N 3.23Å; S798-S801 PolarHBondContact O-N 3.13Å; S798-S801 PolarHBondContact O-OG 3.04Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 2.92Å; S801-T804 WeakPolarHBondContact CA-OG1 3.23Å; S801-T804 PolarHBondContact O-N 3.49Å; S801-T804 PolarHBondContact O-OG1 2.87Å; S801-K805 PolarHBondContact O-N 3.48Å |
| 802 | L | 82.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.021 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 175 | -63.2 | 171.9 | 0 | 0 | 0 | 111 | V749 W754 V764 A768 S798 L799 T804 K805 A806 | V749-L802 HydrophobicContact CG2-CD2 4.28Å; W754-L802 HydrophobicContact CH2-CD2 3.56Å; W754-L802 HydrophobicContact CZ2-CD2 4.44Å; W754-L802 HydrophobicContact CZ3-CD2 4Å; V764-L802 HydrophobicContact CG1-CD2 4.04Å; A768-L802 HydrophobicContact CB-CD1 3.32Å; S798-L802 PolarHBondContact O-N 2.85Å; L799-L802 PolarHBondContact O-N 3.01Å; L802-T804 VanDerWaalsContact C-N 3.27Å; L802-T804 PolarHBondContact O-N 2.87Å; L802-K805 PolarHBondContact O-N 2.66Å; L802-K805 VanDerWaalsContact O-N 3.1Å; L802-A806 PolarHBondContact O-N 2.65Å |
| 803 | A | 79.4 | Confident | 74.9 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L799 R800 K807 | L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 2.95Å; R800-A803 PolarHBondContact O-N 3.46Å; A803-K807 PolarHBondContact O-N 2.67Å |
| 804 | T | 79.5 | Confident | 74.5 | Confident | 76 Ų | 76 | 83.5 Ų | 83.5 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 172.8 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | R800 S801 L802 K807 V808 | R800-T804 PolarHBondContact O-N 2.9Å; R800-T804 PolarHBondContact O-OG1 3.36Å; S801-T804 WeakPolarHBondContact CA-OG1 3.23Å; S801-T804 PolarHBondContact O-N 3.49Å; S801-T804 PolarHBondContact O-OG1 2.87Å; L802-T804 VanDerWaalsContact C-N 3.27Å; L802-T804 PolarHBondContact O-N 2.87Å; T804-K807 PolarHBondContact O-N 3.07Å; T804-V808 WeakPolarHBondContact O-CG2 3.49Å |
| 805 | K | 75.7 | Confident | 74 | Confident | 67 Ų | 67 | 84.9 Ų | 84.9 | 29% | 0.291 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 176.2 | -72.4 | -177.9 | 173.2 | -167.7 | 0 | 112 | W754 E755 S801 L802 K807 V808 T809 | W754-K805 HydrophobicContact CH2-CD 3.77Å; W754-K805 HydrophobicContact CZ2-CD 4.08Å; E755-K805 WeakPolarHBondContact OE1-CD 3.35Å; E755-K805 VanDerWaalsContact OE1-CE 3.26Å; E755-K805 WeakPolarHBondContact OE1-CE 3.32Å; E755-K805 IonicContact OE1-NZ 2.65Å; E755-K805 PolarHBondContact OE1-NZ 3.15Å; S801-K805 PolarHBondContact O-N 3.48Å; L802-K805 PolarHBondContact O-N 2.66Å; L802-K805 VanDerWaalsContact O-N 3.1Å; K805-K807 VanDerWaalsContact C-N 3.26Å; K805-K807 PolarHBondContact O-N 3.3Å; K805-V808 PolarHBondContact O-N 3.28Å; K805-V808 VanDerWaalsContact O-N 3.09Å; K805-T809 PolarHBondContact O-N 2.83Å; K805-T809 PolarHBondContact O-OG1 3Å |
| 806 | A | 69.6 | Low | 73.6 | Confident | 30 Ų | 30 | 90 Ų | 90 | 25% | 0.248 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F761 L802 V808 T809 S810 | F761-A806 HydrophobicContact CE1-CB 3.75Å; F761-A806 VanDerWaalsContact CZ-CA 3.47Å; F761-A806 HydrophobicContact CZ-CB 3.56Å; L802-A806 PolarHBondContact O-N 2.65Å; A806-V808 VanDerWaalsContact C-N 3.32Å; A806-T809 PolarHBondContact O-OG1 3.42Å; A806-S810 PolarHBondContact O-N 2.93Å |
| 807 | K | 64.9 | Low | 72.9 | Confident | 164 Ų | 164 | 83.9 Ų | 83.9 | 71% | 0.713 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.6 | -15.8 | 178 | -73 | -179.2 | 176.8 | -173.8 | 0 | 113.9 | A803 T804 K805 S810 | A803-K807 PolarHBondContact O-N 2.67Å; T804-K807 PolarHBondContact O-N 3.07Å; K805-K807 VanDerWaalsContact C-N 3.26Å; K805-K807 PolarHBondContact O-N 3.3Å; K807-S810 PolarHBondContact O-OG 3.33Å |
| 808 | V | 59.1 | Low | 72.1 | Confident | 123 Ų | 123 | 81.7 Ų | 81.7 | 75% | 0.745 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -95 | -23.1 | -178.4 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | T804 K805 A806 | T804-V808 WeakPolarHBondContact O-CG2 3.49Å; K805-V808 PolarHBondContact O-N 3.28Å; K805-V808 VanDerWaalsContact O-N 3.09Å; A806-V808 VanDerWaalsContact C-N 3.32Å |
| 809 | T | 53.1 | Low | 71.3 | Confident | 80 Ų | 80 | 85.8 Ų | 85.8 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -97 | -11.1 | 179.2 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | K805 A806 | K805-T809 PolarHBondContact O-N 2.83Å; K805-T809 PolarHBondContact O-OG1 3Å; A806-T809 PolarHBondContact O-OG1 3.42Å |
| 810 | S | 44 | Very low | 70.3 | Confident | 144 Ų | 144 | 88.3 Ų | 88.3 | 100% | 1.007 | 50% | 0.495 | S | S | * | . | trans | -82.6 | 0 | 167.2 | 65 | 0 | 0 | 0 | 0 | 111.5 | A806 K807 | A806-S810 PolarHBondContact O-N 2.93Å; K807-S810 PolarHBondContact O-OG 3.33Å |
Retrieved 810 of 810 residues in 200.3 ms
(Link to these results)