| 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 | 57.7 | Low | 77.1 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | 0 | 138.6 | 0 | -90.8 | -113.2 | 160.5 | 0 | 0 | 110.2 | G3 I85 L86 D87 A88 R91 D242 D247 | M1-G3 PolarHBondContact O-N 3.33Å; M1-I85 WeakPolarHBondContact CE-O 3.3Å; M1-I85 WeakPolarHBondContact CG-O 3.29Å; M1-L86 WeakPolarHBondContact CE-O 3.43Å; M1-D87 VanDerWaalsContact CE-N 3.25Å; M1-D87 WeakPolarHBondContact CE-O 3.42Å; M1-A88 VanDerWaalsContact CE-CA 3.47Å; M1-A88 HydrophobicContact CE-CB 3.72Å; M1-A88 HydrophobicContact SD-CB 3.84Å; M1-R91 VanDerWaalsContact CE-CZ 3.42Å; M1-R91 VanDerWaalsContact SD-CZ 3.5Å; M1-R91 PolarHBondContact SD-NH1 3.49Å; M1-R91 PolarHBondContact SD-NH2 3.32Å; M1-R91 VanDerWaalsContact SD-NH2 3.36Å; M1-D242 CarbonylContact C-O 3.52Å; M1-D247 PolarHBondContact N-OD2 3.15Å | |||
| 2 | P | 66.6 | Low | 76.5 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 140.2 | 168.6 | 28.8 | -33.2 | 0 | 0 | 0 | 109.3 | D242 | P2-D242 WeakPolarHBondContact CB-OD2 3.44Š|
| 3 | G | 71 | Confident | 76.4 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 145.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 V5 | M1-G3 PolarHBondContact O-N 3.33Å; G3-V5 PolarHBondContact O-N 2.68Å |
| 4 | L | 81.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 134.4 | 179.6 | 173.4 | 70.2 | 0 | 0 | 0 | 110.7 | V6 R10 W11 V13 L18 I94 I98 | L4-V6 HydrophobicContact CD1-CG2 3.79Å; L4-V6 HydrophobicContact CD2-CG2 3.92Å; L4-V6 HydrophobicContact CG-CG2 3.71Å; L4-R10 CarbonylContact O-C 3.58Å; L4-R10 WeakPolarHBondContact O-CA 3.34Å; L4-W11 HydrophobicContact CB-CB 4.46Å; L4-W11 PolarHBondContact O-N 3.13Å; L4-V13 WeakPolarHBondContact CB-O 3.47Å; L4-V13 PolarHBondContact N-O 3.01Å; L4-L18 HydrophobicContact CD2-CD1 4.46Å; L4-I94 HydrophobicContact CD1-CG2 3.79Å; L4-I98 HydrophobicContact CD1-CD1 4.23Å; L4-I98 HydrophobicContact CD2-CD1 3.49Å; L4-I98 VanDerWaalsContact CD2-CD1 3.49Å; L4-I98 HydrophobicContact CG-CD1 4.43Å |
| 5 | V | 82.3 | Confident | 76.9 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 104.1 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | G3 R9 R10 N95 V165 | G3-V5 PolarHBondContact O-N 2.68Å; V5-R9 CarbonylContact C-O 3.55Å; V5-R9 VanDerWaalsContact CA-O 3.27Å; V5-R9 WeakPolarHBondContact CA-O 3.42Å; V5-R10 HydrophobicContact CG2-CB 4.37Å; V5-N95 PolarHBondContact O-OD1 3.37Å; V5-V165 HydrophobicContact CG1-CG2 4.19Å |
| 6 | V | 83 | Confident | 77.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.9 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | L4 R8 R9 W11 N95 I98 Y99 | L4-V6 HydrophobicContact CD1-CG2 3.79Å; L4-V6 HydrophobicContact CD2-CG2 3.92Å; L4-V6 HydrophobicContact CG-CG2 3.71Å; V6-R8 PolarHBondContact O-N 3.19Å; V6-R9 PolarHBondContact N-O 2.89Å; V6-R9 PolarHBondContact O-N 3.22Å; V6-W11 PolarHBondContact O-NE1 2.76Å; V6-N95 WeakPolarHBondContact CG2-OD1 3.38Å; V6-I98 HydrophobicContact CG1-CG2 4Å; V6-I98 HydrophobicContact CG2-CD1 3.99Å; V6-I98 HydrophobicContact CG2-CG2 4.5Å; V6-Y99 HydrophobicContact CG1-CD1 4.19Å; V6-Y99 HydrophobicContact CG1-CE1 3.53Å; V6-Y99 HydrophobicContact CG1-CE2 4.33Å |
| 7 | F | 83.3 | Confident | 77.2 | Confident | 108 Ų | 108 | 40.9 Ų | 40.9 | 47% | 0.474 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32.7 | -175.1 | -54.4 | -76 | 0 | 0 | 0 | 113.4 | R9 W11 Y99 | F7-R9 PolarHBondContact O-N 2.79Å; F7-W11 HydrophobicContact CD2-CZ2 4.14Å; F7-Y99 HydrophobicContact CD1-CD1 4.18Å; F7-Y99 AromaticContact CD1-CE1 3.57Å; F7-Y99 HydrophobicContact CD1-CE1 3.57Å; F7-Y99 HydrophobicContact CD2-CE1 4.43Å; F7-Y99 AromaticContact CE1-CD1 3.53Å; F7-Y99 HydrophobicContact CE1-CD1 3.53Å; F7-Y99 AromaticContact CE1-CE1 3.42Å; F7-Y99 HydrophobicContact CE1-CE1 3.42Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.42Å; F7-Y99 HydrophobicContact CE2-CD1 4.47Å; F7-Y99 HydrophobicContact CE2-CE1 4.29Å; F7-Y99 HydrophobicContact CG-CE1 4.08Å; F7-Y99 AromaticContact CZ-CD1 3.69Å; F7-Y99 HydrophobicContact CZ-CD1 3.69Å; F7-Y99 AromaticContact CZ-CE1 3.8Å; F7-Y99 HydrophobicContact CZ-CE1 3.8Å; F7-Y99 PolarHBondContact N-OH 3.05Å; F7-Y99 VanDerWaalsContact N-OH 3.1Å |
| 8 | R | 80.9 | Confident | 77.6 | Confident | 217 Ų | 217 | 40.6 Ų | 40.6 | 82% | 0.819 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.7 | -174.8 | -56.7 | 178.4 | 174.9 | 177.8 | -1.9 | 113.3 | V6 | V6-R8 PolarHBondContact O-N 3.19Š|
| 9 | R | 83.2 | Confident | 78 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140 | 179.8 | -116.3 | -178.3 | 159.5 | 144.8 | 0.2 | 109.1 | V5 V6 F7 F157 D158 A159 R162 | V5-R9 CarbonylContact C-O 3.55Å; V5-R9 VanDerWaalsContact CA-O 3.27Å; V5-R9 WeakPolarHBondContact CA-O 3.42Å; V6-R9 PolarHBondContact N-O 2.89Å; V6-R9 PolarHBondContact O-N 3.22Å; F7-R9 PolarHBondContact O-N 2.79Å; R9-F157 VanDerWaalsContact CZ-CZ 3.46Å; R9-D158 PolarHBondContact NE-O 3.44Å; R9-A159 PolarHBondContact NH2-O 2.88Å; R9-R162 HydrophobicContact CG-CB 3.73Å; R9-R162 HydrophobicContact CG-CG 4.48Å |
| 10 | R | 80.8 | Confident | 78.1 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.5 | 164.7 | 179.2 | -178.5 | 169.9 | 165.2 | 8.9 | 109.2 | L4 V5 D158 G161 W164 V165 D242 | L4-R10 CarbonylContact O-C 3.58Å; L4-R10 WeakPolarHBondContact O-CA 3.34Å; V5-R10 HydrophobicContact CG2-CB 4.37Å; R10-D158 WeakPolarHBondContact O-CB 3.41Å; R10-G161 PolarHBondContact N-O 3.48Å; R10-W164 HydrophobicContact CB-CE3 4.11Å; R10-W164 HydrophobicContact CG-CE3 4.42Å; R10-V165 HydrophobicContact CB-CG2 4.06Å; R10-D242 IonicContact CZ-OD1 2.91Å; R10-D242 IonicContact NE-OD1 3.99Å; R10-D242 IonicContact NH1-OD1 2.62Å; R10-D242 PolarHBondContact NH1-OD1 2.97Å; R10-D242 IonicContact NH2-OD1 2.68Å; R10-D242 PolarHBondContact NH2-OD1 3.05Å |
| 11 | W | 78.1 | Confident | 78.3 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | trans | -112.7 | 160.6 | 173.9 | -67.2 | 72.9 | 0 | 0 | 0 | 110.2 | L4 V6 F7 V13 I153 F157 | L4-W11 HydrophobicContact CB-CB 4.46Å; L4-W11 PolarHBondContact O-N 3.13Å; V6-W11 PolarHBondContact O-NE1 2.76Å; F7-W11 HydrophobicContact CD2-CZ2 4.14Å; W11-V13 HydrophobicContact CB-CG2 4.22Å; W11-V13 PolarHBondContact O-N 3.23Å; W11-I153 HydrophobicContact CH2-CG2 4.04Å; W11-I153 HydrophobicContact CZ3-CG2 4.1Å; W11-F157 AromaticContact CH2-CD2 3.85Å; W11-F157 HydrophobicContact CH2-CD2 3.85Å; W11-F157 HydrophobicContact CZ2-CD2 4.24Å; W11-F157 HydrophobicContact CZ3-CB 4.03Å; W11-F157 HydrophobicContact CZ3-CD2 4.11Å | ||
| 12 | S | 69.1 | Low | 79.6 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -80.7 | 4.4 | -178.6 | 64.6 | 0 | 0 | 0 | 0 | 114 | T156 V244 | S12-T156 PolarHBondContact N-O 2.88Å; S12-T156 WeakPolarHBondContact OG-CA 3.49Å; S12-T156 PolarHBondContact OG-O 3Å; S12-V244 VanDerWaalsContact O-CG1 3.29Å; S12-V244 WeakPolarHBondContact O-CG1 3.21Å |
| 13 | V | 75.7 | Confident | 80.5 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -117.4 | 147.5 | 179.6 | -68.7 | 0 | 0 | 0 | 0 | 110.8 | L4 W11 D17 T156 | L4-V13 WeakPolarHBondContact CB-O 3.47Å; L4-V13 PolarHBondContact N-O 3.01Å; W11-V13 HydrophobicContact CB-CG2 4.22Å; W11-V13 PolarHBondContact O-N 3.23Å; V13-D17 HydrophobicContact CB-CB 4.31Å; V13-T156 HydrophobicContact CG1-CG2 3.54Å |
| 14 | G | 77.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -81.6 | 162 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D16 D17 | G14-D16 PolarHBondContact O-N 2.81Å; G14-D17 PolarHBondContact N-OD2 3.02Å; G14-D17 WeakPolarHBondContact O-CB 3.4Å; G14-D17 PolarHBondContact O-N 3.36Å; G14-D17 VanDerWaalsContact O-N 3.15Å | ||
| 15 | S | 82.1 | Confident | 81.6 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.6 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | S80 R91 | S15-S80 VanDerWaalsContact O-CB 3.23Å; S15-S80 WeakPolarHBondContact O-CB 3.16Å; S15-S80 PolarHBondContact O-OG 2.72Å; S15-R91 PolarHBondContact OG-NH1 3.31Å |
| 16 | D | 79.8 | Confident | 82 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.9 | 174.8 | 43.5 | -0.5 | 0 | 0 | 0 | 114 | G14 L18 R91 K558 | G14-D16 PolarHBondContact O-N 2.81Å; D16-L18 PolarHBondContact O-N 2.77Å; D16-R91 VanDerWaalsContact CG-CZ 3.5Å; D16-R91 VanDerWaalsContact N-NH1 3.13Å; D16-R91 IonicContact OD1-NH1 2.61Å; D16-R91 PolarHBondContact OD1-NH1 2.7Å; D16-R91 VanDerWaalsContact OD1-NH1 3.09Å; D16-R91 IonicContact OD2-CZ 2.83Å; D16-R91 IonicContact OD2-NH1 3.09Å; D16-R91 PolarHBondContact OD2-NH1 3.11Å; D16-R91 IonicContact OD2-NH2 3.07Å; D16-R91 PolarHBondContact OD2-NH2 3.12Å; D16-K558 WeakPolarHBondContact OD1-CE 3.46Å; D16-K558 IonicContact OD1-NZ 3.56Å; D16-K558 PolarHBondContact OD1-NZ 3.14Å; D16-K558 WeakPolarHBondContact OD2-CE 3.42Å; D16-K558 IonicContact OD2-NZ 3.34Å |
| 17 | D | 79.8 | Confident | 82.4 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13 | 176.3 | -63.8 | -33.1 | 0 | 0 | 0 | 112.1 | V13 G14 V19 P21 V244 S246 K558 | V13-D17 HydrophobicContact CB-CB 4.31Å; G14-D17 PolarHBondContact N-OD2 3.02Å; G14-D17 WeakPolarHBondContact O-CB 3.4Å; G14-D17 PolarHBondContact O-N 3.36Å; G14-D17 VanDerWaalsContact O-N 3.15Å; D17-V19 VanDerWaalsContact C-N 3.27Å; D17-V19 PolarHBondContact O-N 2.98Å; D17-P21 WeakPolarHBondContact O-CD 3.25Å; D17-V244 WeakPolarHBondContact OD2-CG1 3.39Å; D17-S246 WeakPolarHBondContact OD1-CB 3.4Å; D17-S246 PolarHBondContact OD1-OG 3.39Å; D17-S246 PolarHBondContact OD2-OG 3.32Å; D17-K558 VanDerWaalsContact OD1-CE 3.31Å; D17-K558 WeakPolarHBondContact OD1-CE 3.48Å; D17-K558 IonicContact OD1-NZ 2.7Å; D17-K558 PolarHBondContact OD1-NZ 3.41Å; D17-K558 IonicContact OD2-NZ 2.74Å; D17-K558 PolarHBondContact OD2-NZ 3.06Å |
| 18 | L | 84.7 | Confident | 82.8 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.6 | -177.2 | -58.9 | 175.9 | 0 | 0 | 0 | 113.9 | L4 D16 G22 I76 I94 I98 | L4-L18 HydrophobicContact CD2-CD1 4.46Å; D16-L18 PolarHBondContact O-N 2.77Å; L18-G22 WeakPolarHBondContact O-CA 3.45Å; L18-G22 PolarHBondContact O-N 2.82Å; L18-I76 HydrophobicContact CB-CG2 3.95Å; L18-I76 HydrophobicContact CD1-CG2 4.43Å; L18-I94 HydrophobicContact CD1-CD1 4.17Å; L18-I94 HydrophobicContact CD1-CG1 3.9Å; L18-I98 HydrophobicContact CD1-CD1 3.79Å; L18-I98 HydrophobicContact CD1-CG1 4.34Å |
| 19 | V | 83.9 | Confident | 83.3 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | -180 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | D17 A23 S80 M81 W559 | D17-V19 VanDerWaalsContact C-N 3.27Å; D17-V19 PolarHBondContact O-N 2.98Å; V19-A23 VanDerWaalsContact O-CB 3.28Å; V19-A23 WeakPolarHBondContact O-CB 3.35Å; V19-A23 PolarHBondContact O-N 3.33Å; V19-S80 VanDerWaalsContact CG2-CB 3.48Å; V19-M81 HydrophobicContact CG1-CG 3.98Å; V19-M81 HydrophobicContact CG1-SD 4.39Å; V19-M81 HydrophobicContact CG2-CG 3.74Å; V19-W559 HydrophobicContact CB-CG 4.45Å; V19-W559 HydrophobicContact CG1-CB 4.47Å; V19-W559 HydrophobicContact CG1-CG 4.08Å |
| 20 | V | 80.1 | Confident | 83.9 | Confident | 101 Ų | 101 | 39.7 Ų | 39.7 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70.4 | -50.4 | -175.1 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | G22 A23 F24 | V20-G22 VanDerWaalsContact C-N 3.3Å; V20-G22 PolarHBondContact O-N 3.45Å; V20-A23 PolarHBondContact O-N 2.62Å; V20-F24 PolarHBondContact O-N 3.03Å; V20-F24 VanDerWaalsContact O-N 3.07Å |
| 21 | P | 82.4 | Confident | 84.4 | Confident | 70 Ų | 70 | 43.6 Ų | 43.6 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.2 | -22 | 34.1 | 0 | 0 | 0 | 112.6 | D17 F24 L25 | D17-P21 WeakPolarHBondContact O-CD 3.25Å; P21-F24 PolarHBondContact O-N 3.39Å; P21-L25 WeakPolarHBondContact O-CG 3.37Å; P21-L25 PolarHBondContact O-N 2.81Å |
| 22 | G | 85.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L18 V20 F24 L25 L26 C77 | L18-G22 WeakPolarHBondContact O-CA 3.45Å; L18-G22 PolarHBondContact O-N 2.82Å; V20-G22 VanDerWaalsContact C-N 3.3Å; V20-G22 PolarHBondContact O-N 3.45Å; G22-F24 PolarHBondContact O-N 3.06Å; G22-L25 PolarHBondContact O-N 2.95Å; G22-L26 WeakPolarHBondContact O-CB 3.33Å; G22-L26 PolarHBondContact O-N 2.91Å; G22-C77 VanDerWaalsContact C-SG 3.52Å |
| 23 | A | 85.6 | Confident | 86.3 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -36.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V19 V20 T27 | V19-A23 VanDerWaalsContact O-CB 3.28Å; V19-A23 WeakPolarHBondContact O-CB 3.35Å; V19-A23 PolarHBondContact O-N 3.33Å; V20-A23 PolarHBondContact O-N 2.62Å; A23-T27 WeakPolarHBondContact O-CB 3.36Å; A23-T27 PolarHBondContact O-N 2.97Å; A23-T27 PolarHBondContact O-OG1 3.5Å |
| 24 | F | 86.8 | Confident | 87.2 | Confident | 113 Ų | 113 | 45.4 Ų | 45.4 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 174.5 | 176.3 | -99.2 | 0 | 0 | 0 | 111.5 | V20 P21 G22 L26 T27 I28 | V20-F24 PolarHBondContact O-N 3.03Å; V20-F24 VanDerWaalsContact O-N 3.07Å; P21-F24 PolarHBondContact O-N 3.39Å; G22-F24 PolarHBondContact O-N 3.06Å; F24-L26 PolarHBondContact O-N 3.42Å; F24-T27 PolarHBondContact O-N 2.82Å; F24-I28 HydrophobicContact CD1-CD1 4.1Å; F24-I28 HydrophobicContact CD2-CD1 4.39Å; F24-I28 HydrophobicContact CE1-CD1 3.48Å; F24-I28 VanDerWaalsContact CE1-CD1 3.48Å; F24-I28 HydrophobicContact CE2-CD1 3.81Å; F24-I28 HydrophobicContact CZ-CD1 3.33Å; F24-I28 PolarHBondContact O-N 3.48Å |
| 25 | L | 88.9 | Confident | 87.9 | Confident | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.3 | -71 | 172.8 | 0 | 0 | 0 | 111.7 | P21 G22 T27 I28 H29 E73 | P21-L25 WeakPolarHBondContact O-CG 3.37Å; P21-L25 PolarHBondContact O-N 2.81Å; G22-L25 PolarHBondContact O-N 2.95Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 2.95Å; L25-I28 PolarHBondContact O-N 3.02Å; L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3Å; L25-H29 PolarHBondContact O-ND1 2.88Å; L25-E73 WeakPolarHBondContact CB-OE1 3.4Å |
| 26 | L | 91.9 | Very high | 88.4 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 176.4 | 177 | 62.9 | 0 | 0 | 0 | 111.8 | G22 F24 I28 F30 I70 E73 I74 | G22-L26 WeakPolarHBondContact O-CB 3.33Å; G22-L26 PolarHBondContact O-N 2.91Å; F24-L26 PolarHBondContact O-N 3.42Å; L26-I28 PolarHBondContact O-N 2.95Å; L26-F30 WeakPolarHBondContact O-CB 3.42Å; L26-F30 PolarHBondContact O-N 3.34Å; L26-I70 HydrophobicContact CD1-CB 4.25Å; L26-I70 HydrophobicContact CD1-CG1 4.29Å; L26-I70 HydrophobicContact CD1-CG2 3.76Å; L26-E73 VanDerWaalsContact CA-OE2 3.23Å; L26-E73 WeakPolarHBondContact CA-OE2 3.34Å; L26-E73 HydrophobicContact CB-CB 4.21Å; L26-E73 HydrophobicContact CD1-CB 4.28Å; L26-E73 PolarHBondContact N-OE2 3.19Å; L26-I74 HydrophobicContact CD1-CD1 4.28Å; L26-I74 HydrophobicContact CD1-CG1 3.75Å; L26-I74 HydrophobicContact CD2-CG1 3.91Å |
| 27 | T | 90.7 | Very high | 89 | Confident | 80 Ų | 80 | 50 Ų | 50 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | -180 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | A23 F24 L25 F30 I31 | A23-T27 WeakPolarHBondContact O-CB 3.36Å; A23-T27 PolarHBondContact O-N 2.97Å; A23-T27 PolarHBondContact O-OG1 3.5Å; F24-T27 PolarHBondContact O-N 2.82Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 2.95Å; T27-F30 PolarHBondContact O-N 3.32Å; T27-I31 HydrophobicContact CG2-CD1 4.14Å; T27-I31 VanDerWaalsContact O-CG1 3.28Å; T27-I31 WeakPolarHBondContact O-CG1 3.22Å; T27-I31 PolarHBondContact O-N 3.19Å |
| 28 | I | 90.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 18% | 0.179 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -45.1 | -178.6 | -62 | 177.4 | 0 | 0 | 0 | 111.3 | F24 L25 L26 F30 I31 C32 L145 | F24-I28 HydrophobicContact CD1-CD1 4.1Å; F24-I28 HydrophobicContact CD2-CD1 4.39Å; F24-I28 HydrophobicContact CE1-CD1 3.48Å; F24-I28 VanDerWaalsContact CE1-CD1 3.48Å; F24-I28 HydrophobicContact CE2-CD1 3.81Å; F24-I28 HydrophobicContact CZ-CD1 3.33Å; F24-I28 PolarHBondContact O-N 3.48Å; L25-I28 PolarHBondContact O-N 3.02Å; L26-I28 PolarHBondContact O-N 2.95Å; I28-F30 VanDerWaalsContact C-N 3.27Å; I28-F30 PolarHBondContact O-N 3.19Å; I28-I31 PolarHBondContact O-N 3.06Å; I28-C32 PolarHBondContact O-N 3.22Å; I28-C32 PolarHBondContact O-SG 3.33Å; I28-L145 HydrophobicContact CB-CD1 4.48Å; I28-L145 HydrophobicContact CB-CD2 4.5Å; I28-L145 HydrophobicContact CD1-CD2 3.71Å; I28-L145 HydrophobicContact CG2-CD1 3.44Å; I28-L145 VanDerWaalsContact CG2-CD1 3.44Å; I28-L145 HydrophobicContact CG2-CD2 3.96Å; I28-L145 HydrophobicContact CG2-CG 4.27Å |
| 29 | H | 93.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 175.9 | -71 | 143.8 | 0 | 0 | 0 | 112.3 | L25 C32 F33 L66 S69 I70 E73 | L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3Å; L25-H29 PolarHBondContact O-ND1 2.88Å; H29-C32 PolarHBondContact O-N 2.89Å; H29-F33 VanDerWaalsContact O-CB 3.28Å; H29-F33 WeakPolarHBondContact O-CB 3.43Å; H29-F33 PolarHBondContact O-N 3.47Å; H29-L66 HydrophobicContact CB-CD2 4.06Å; H29-S69 PolarHBondContact CE1-OG 2.94Å; H29-S69 PolarHBondContact ND1-OG 2.67Å; H29-I70 HydrophobicContact CB-CG1 3.97Å; H29-E73 IonicContact CE1-OE1 2.8Å; H29-E73 PolarHBondContact CE1-OE1 2.68Å; H29-E73 IonicContact CE1-OE2 2.89Å; H29-E73 IonicContact CG-OE2 3.35Å; H29-E73 IonicContact ND1-OE1 2.98Å; H29-E73 PolarHBondContact ND1-OE1 3.33Å; H29-E73 IonicContact ND1-OE2 3.79Å; H29-E73 PolarHBondContact ND1-OE2 2.86Å |
| 30 | F | 94 | Very high | 90.2 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 52% | 0.522 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 173.5 | -175.5 | -101.2 | 0 | 0 | 0 | 111.8 | L26 T27 I28 F33 V34 | L26-F30 WeakPolarHBondContact O-CB 3.42Å; L26-F30 PolarHBondContact O-N 3.34Å; T27-F30 PolarHBondContact O-N 3.32Å; I28-F30 VanDerWaalsContact C-N 3.27Å; I28-F30 PolarHBondContact O-N 3.19Å; F30-F33 WeakPolarHBondContact O-CB 3.2Å; F30-F33 PolarHBondContact O-N 3.45Å; F30-V34 HydrophobicContact CD1-CG2 4.42Å; F30-V34 HydrophobicContact CE1-CG2 4.05Å; F30-V34 HydrophobicContact CZ-CG2 4.15Å; F30-V34 WeakPolarHBondContact O-CG2 3.39Å; F30-V34 PolarHBondContact O-N 2.87Å |
| 31 | I | 93.2 | Very high | 90.8 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 46% | 0.462 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 173.8 | -68.4 | 164 | 0 | 0 | 0 | 110.5 | T27 I28 F33 V34 I35 | T27-I31 HydrophobicContact CG2-CD1 4.14Å; T27-I31 VanDerWaalsContact O-CG1 3.28Å; T27-I31 WeakPolarHBondContact O-CG1 3.22Å; T27-I31 PolarHBondContact O-N 3.19Å; I28-I31 PolarHBondContact O-N 3.06Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.5Å; I31-V34 PolarHBondContact O-N 3.36Å; I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.45Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.12Å |
| 32 | C | 92.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.3 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | I28 H29 I35 V36 L66 | I28-C32 PolarHBondContact O-N 3.22Å; I28-C32 PolarHBondContact O-SG 3.33Å; H29-C32 PolarHBondContact O-N 2.89Å; C32-I35 PolarHBondContact O-N 3.17Å; C32-V36 WeakPolarHBondContact O-CB 3.11Å; C32-V36 VanDerWaalsContact O-CG2 3.26Å; C32-V36 WeakPolarHBondContact O-CG2 3.42Å; C32-V36 PolarHBondContact O-N 3.42Å; C32-L66 HydrophobicContact CB-CD1 4.05Å; C32-L66 HydrophobicContact CB-CD2 4.23Å |
| 33 | F | 94.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 57 Ų | 57 | 23% | 0.232 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 177.1 | -178.8 | -87.8 | 0 | 0 | 0 | 111 | H29 F30 I31 I35 V36 S37 L63 L66 F67 I70 | H29-F33 VanDerWaalsContact O-CB 3.28Å; H29-F33 WeakPolarHBondContact O-CB 3.43Å; H29-F33 PolarHBondContact O-N 3.47Å; F30-F33 WeakPolarHBondContact O-CB 3.2Å; F30-F33 PolarHBondContact O-N 3.45Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.5Å; F33-I35 PolarHBondContact O-N 3.07Å; F33-V36 PolarHBondContact O-N 2.66Å; F33-S37 WeakPolarHBondContact O-CB 3.36Å; F33-S37 PolarHBondContact O-N 2.99Å; F33-S37 PolarHBondContact O-OG 3.4Å; F33-S37 VanDerWaalsContact O-OG 3.06Å; F33-L63 HydrophobicContact CD2-CD1 3.47Å; F33-L63 VanDerWaalsContact CD2-CD1 3.47Å; F33-L63 HydrophobicContact CD2-CG 4.2Å; F33-L63 HydrophobicContact CE2-CD1 3.4Å; F33-L63 HydrophobicContact CE2-CG 3.74Å; F33-L63 HydrophobicContact CG-CD1 4.08Å; F33-L63 HydrophobicContact CZ-CD1 3.96Å; F33-L63 HydrophobicContact CZ-CG 4.37Å; F33-L66 HydrophobicContact CB-CB 4.46Å; F33-L66 HydrophobicContact CB-CD1 4.29Å; F33-L66 HydrophobicContact CD2-CB 4.03Å; F33-F67 HydrophobicContact CE2-CB 4.11Å; F33-I70 HydrophobicContact CB-CD1 3.89Å; F33-I70 HydrophobicContact CD2-CD1 4.3Å; F33-I70 HydrophobicContact CG-CD1 4.14Å |
| 34 | V | 94.4 | Very high | 91.3 | Very high | 64 Ų | 64 | 64 Ų | 64 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | F30 I31 V36 S37 V38 | F30-V34 HydrophobicContact CD1-CG2 4.42Å; F30-V34 HydrophobicContact CE1-CG2 4.05Å; F30-V34 HydrophobicContact CZ-CG2 4.15Å; F30-V34 WeakPolarHBondContact O-CG2 3.39Å; F30-V34 PolarHBondContact O-N 2.87Å; I31-V34 PolarHBondContact O-N 3.36Å; V34-V36 PolarHBondContact O-N 3.02Å; V34-S37 PolarHBondContact O-N 3.08Å; V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CB 3.37Å; V34-V38 WeakPolarHBondContact O-CG2 3.4Å; V34-V38 PolarHBondContact O-N 3.09Å |
| 35 | I | 92.2 | Very high | 91.3 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 179.3 | -67.3 | 167.5 | 0 | 0 | 0 | 111.1 | I31 C32 F33 V38 S39 V134 I138 | I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.45Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.12Å; C32-I35 PolarHBondContact O-N 3.17Å; F33-I35 PolarHBondContact O-N 3.07Å; I35-V38 PolarHBondContact O-N 2.87Å; I35-S39 WeakPolarHBondContact O-CB 3.5Å; I35-S39 PolarHBondContact O-N 3.19Å; I35-V134 HydrophobicContact CG2-CG1 4.04Å; I35-I138 HydrophobicContact CG2-CD1 4.13Å; I35-I138 HydrophobicContact CG2-CG1 4.43Å |
| 36 | V | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | C32 F33 V34 S39 L40 L59 Y62 L63 L66 I138 | C32-V36 WeakPolarHBondContact O-CB 3.11Å; C32-V36 VanDerWaalsContact O-CG2 3.26Å; C32-V36 WeakPolarHBondContact O-CG2 3.42Å; C32-V36 PolarHBondContact O-N 3.42Å; F33-V36 PolarHBondContact O-N 2.66Å; V34-V36 PolarHBondContact O-N 3.02Å; V36-S39 PolarHBondContact O-N 3.06Å; V36-L40 HydrophobicContact CG1-CD1 4.14Å; V36-L40 WeakPolarHBondContact O-CG 3.21Å; V36-L40 PolarHBondContact O-N 3.03Å; V36-L59 HydrophobicContact CG1-CB 4.47Å; V36-L59 HydrophobicContact CG1-CD2 4.28Å; V36-Y62 HydrophobicContact CG2-CD1 3.88Å; V36-Y62 HydrophobicContact CG2-CE1 4.04Å; V36-L63 HydrophobicContact CB-CD1 4.22Å; V36-L63 HydrophobicContact CG1-CB 4.22Å; V36-L63 HydrophobicContact CG1-CD1 3.96Å; V36-L66 HydrophobicContact CG2-CD1 4.29Å; V36-I138 HydrophobicContact CG2-CD1 3.85Å |
| 37 | S | 93.3 | Very high | 90.9 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.2 | -65 | 0 | 0 | 0 | 0 | 111.9 | F33 V34 S39 L40 V41 L63 | F33-S37 WeakPolarHBondContact O-CB 3.36Å; F33-S37 PolarHBondContact O-N 2.99Å; F33-S37 PolarHBondContact O-OG 3.4Å; F33-S37 VanDerWaalsContact O-OG 3.06Å; V34-S37 PolarHBondContact O-N 3.08Å; S37-S39 VanDerWaalsContact C-N 3.35Å; S37-S39 PolarHBondContact O-N 3.18Å; S37-L40 PolarHBondContact O-N 3.03Å; S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.31Å; S37-V41 VanDerWaalsContact O-N 3.15Å; S37-L63 WeakPolarHBondContact OG-CD1 3.25Å |
| 38 | V | 92.8 | Very high | 90.7 | Very high | 71 Ų | 71 | 71 Ų | 71 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V34 I35 L40 V41 I42 | V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CB 3.37Å; V34-V38 WeakPolarHBondContact O-CG2 3.4Å; V34-V38 PolarHBondContact O-N 3.09Å; I35-V38 PolarHBondContact O-N 2.87Å; V38-L40 VanDerWaalsContact C-N 3.33Å; V38-L40 PolarHBondContact O-N 2.89Å; V38-V41 PolarHBondContact O-N 3.43Å; V38-I42 HydrophobicContact CG1-CD1 3.37Å; V38-I42 HydrophobicContact CG1-CG1 4.02Å; V38-I42 WeakPolarHBondContact O-CB 3.3Å; V38-I42 WeakPolarHBondContact O-CG1 3.35Å; V38-I42 PolarHBondContact O-N 3.36Å |
| 39 | S | 90.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 175.1 | -176 | 0 | 0 | 0 | 0 | 111.9 | I35 V36 S37 V41 F43 Y45 | I35-S39 WeakPolarHBondContact O-CB 3.5Å; I35-S39 PolarHBondContact O-N 3.19Å; V36-S39 PolarHBondContact O-N 3.06Å; S37-S39 VanDerWaalsContact C-N 3.35Å; S37-S39 PolarHBondContact O-N 3.18Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 2.95Å; S39-F43 WeakPolarHBondContact O-CB 3.36Å; S39-F43 VanDerWaalsContact O-CD2 3.26Å; S39-F43 WeakPolarHBondContact O-CD2 3.29Å; S39-F43 PolarHBondContact O-N 3.41Å; S39-F43 WeakPolarHBondContact OG-CD2 3.14Å; S39-Y45 PolarHBondContact OG-OH 2.98Å |
| 40 | L | 90.3 | Very high | 90.3 | Very high | 33 Ų | 33 | 76.8 Ų | 76.8 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -25.6 | 179.6 | -76 | 172.2 | 0 | 0 | 0 | 113.6 | V36 S37 V38 Y45 F56 L59 I60 L63 | V36-L40 HydrophobicContact CG1-CD1 4.14Å; V36-L40 WeakPolarHBondContact O-CG 3.21Å; V36-L40 PolarHBondContact O-N 3.03Å; S37-L40 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact C-N 3.33Å; V38-L40 PolarHBondContact O-N 2.89Å; L40-Y45 HydrophobicContact CD2-CE2 4.17Å; L40-F56 HydrophobicContact CD2-CD2 3.77Å; L40-F56 HydrophobicContact CD2-CE2 3.82Å; L40-L59 HydrophobicContact CD1-CB 4.34Å; L40-L59 HydrophobicContact CD2-CB 3.8Å; L40-L59 HydrophobicContact CD2-CD1 4.12Å; L40-L59 HydrophobicContact CG-CB 4.23Å; L40-I60 HydrophobicContact CD1-CG1 4.29Å; L40-I60 HydrophobicContact CD2-CG1 4.46Å; L40-L63 HydrophobicContact CD1-CD2 4.31Å |
| 41 | V | 91.4 | Very high | 90.1 | Very high | 125 Ų | 125 | 71.6 Ų | 71.6 | 76% | 0.758 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -90.6 | -40.6 | -179 | 173 | 0 | 0 | 0 | 0 | 112.2 | S37 V38 S39 | S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.31Å; S37-V41 VanDerWaalsContact O-N 3.15Å; V38-V41 PolarHBondContact O-N 3.43Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 2.95Å |
| 42 | I | 90.3 | Very high | 89.8 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -78.9 | -38.9 | -174.7 | -67.7 | -176.5 | 0 | 0 | 0 | 111.8 | V38 | V38-I42 HydrophobicContact CG1-CD1 3.37Å; V38-I42 HydrophobicContact CG1-CG1 4.02Å; V38-I42 WeakPolarHBondContact O-CB 3.3Å; V38-I42 WeakPolarHBondContact O-CG1 3.35Å; V38-I42 PolarHBondContact O-N 3.36Å |
| 43 | F | 88.3 | Confident | 89.7 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 25% | 0.254 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -91.8 | 138.8 | -174.3 | -61.7 | -63.1 | 0 | 0 | 0 | 112 | S39 Y45 D130 P131 V134 | S39-F43 WeakPolarHBondContact O-CB 3.36Å; S39-F43 VanDerWaalsContact O-CD2 3.26Å; S39-F43 WeakPolarHBondContact O-CD2 3.29Å; S39-F43 PolarHBondContact O-N 3.41Å; S39-F43 WeakPolarHBondContact OG-CD2 3.14Å; F43-Y45 HydrophobicContact CB-CD2 4.44Å; F43-Y45 HydrophobicContact CB-CE2 3.79Å; F43-Y45 VanDerWaalsContact O-CD2 3.22Å; F43-Y45 WeakPolarHBondContact O-CD2 3.27Å; F43-Y45 WeakPolarHBondContact O-CE2 3.5Å; F43-D130 HydrophobicContact CE1-CB 3.79Å; F43-D130 HydrophobicContact CZ-CB 4.04Å; F43-P131 HydrophobicContact CB-CG 3.91Å; F43-P131 HydrophobicContact CD1-CG 3.85Å; F43-P131 HydrophobicContact CD2-CB 4.26Å; F43-P131 HydrophobicContact CD2-CG 3.99Å; F43-P131 HydrophobicContact CE1-CG 4.34Å; F43-P131 HydrophobicContact CE2-CG 4.47Å; F43-P131 HydrophobicContact CG-CB 4.4Å; F43-P131 HydrophobicContact CG-CG 3.66Å; F43-V134 HydrophobicContact CE2-CG2 4.45Å |
| 44 | E | 86.3 | Confident | 89.5 | Confident | 188 Ų | 188 | 72.1 Ų | 72.1 | 88% | 0.879 | 37% | 0.365 | S | S | * | . | trans | -84.7 | 115.6 | 173 | -65.9 | -174.1 | 175.7 | 0 | 0 | 110.6 | ||||
| 45 | Y | 87.1 | Confident | 89.4 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | trans | -98 | 103.7 | 177.8 | -65.8 | -92.7 | 0 | 0 | 0 | 110.4 | S39 L40 F43 T47 V52 L55 F56 L59 P131 | S39-Y45 PolarHBondContact OG-OH 2.98Å; L40-Y45 HydrophobicContact CD2-CE2 4.17Å; F43-Y45 HydrophobicContact CB-CD2 4.44Å; F43-Y45 HydrophobicContact CB-CE2 3.79Å; F43-Y45 VanDerWaalsContact O-CD2 3.22Å; F43-Y45 WeakPolarHBondContact O-CD2 3.27Å; F43-Y45 WeakPolarHBondContact O-CE2 3.5Å; Y45-T47 PolarHBondContact O-N 2.81Å; Y45-V52 HydrophobicContact CD1-CG1 4.06Å; Y45-L55 HydrophobicContact CE1-CD2 4.1Å; Y45-L55 HydrophobicContact CE1-CG 4.41Å; Y45-F56 HydrophobicContact CD1-CB 4.1Å; Y45-F56 HydrophobicContact CD1-CD2 4.17Å; Y45-F56 AromaticContact CD2-CD2 3.65Å; Y45-F56 HydrophobicContact CD2-CD2 3.65Å; Y45-F56 HydrophobicContact CD2-CE2 4.11Å; Y45-F56 HydrophobicContact CE2-CD2 4.34Å; Y45-F56 HydrophobicContact CG-CB 4.18Å; Y45-F56 AromaticContact CG-CD2 3.56Å; Y45-F56 HydrophobicContact CG-CD2 3.56Å; Y45-F56 HydrophobicContact CG-CE2 4.37Å; Y45-F56 HydrophobicContact CG-CG 4.25Å; Y45-L59 HydrophobicContact CE1-CD1 3.96Å; Y45-L59 VanDerWaalsContact OH-CD1 3.29Å; Y45-L59 WeakPolarHBondContact OH-CD1 3.48Å; Y45-P131 HydrophobicContact CE1-CB 4.21Å | ||
| 46 | N | 87.4 | Confident | 89.3 | Confident | 84 Ų | 84 | 68 Ų | 68 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | trans | -72.4 | 95 | 174.3 | -172.2 | -9.1 | 0 | 0 | 0 | 111.3 | R48 I49 | N46-R48 PolarHBondContact O-N 2.75Å; N46-R48 VanDerWaalsContact OD1-CB 3.31Å; N46-R48 WeakPolarHBondContact OD1-CB 3.18Å; N46-R48 WeakPolarHBondContact OD1-CG 3.11Å; N46-R48 PolarHBondContact OD1-N 3.1Å; N46-I49 PolarHBondContact O-N 3.05Å | ||
| 47 | T | 84.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -1.5 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | Y45 I49 K53 F56 | Y45-T47 PolarHBondContact O-N 2.81Å; T47-I49 VanDerWaalsContact C-N 3.32Å; T47-K53 WeakPolarHBondContact O-CD 3.33Å; T47-F56 HydrophobicContact CG2-CD1 4.21Å |
| 48 | R | 86.2 | Confident | 89.3 | Confident | 231 Ų | 231 | 73 Ų | 73 | 87% | 0.872 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.8 | 171.1 | -60.5 | -176.1 | -179.7 | -171.5 | 0.9 | 112.4 | N46 | N46-R48 PolarHBondContact O-N 2.75Å; N46-R48 VanDerWaalsContact OD1-CB 3.31Å; N46-R48 WeakPolarHBondContact OD1-CB 3.18Å; N46-R48 WeakPolarHBondContact OD1-CG 3.11Å; N46-R48 PolarHBondContact OD1-N 3.1Å |
| 49 | I | 88 | Confident | 89.3 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -91.1 | 124.3 | 179.7 | -55.2 | 179.1 | 0 | 0 | 0 | 108.6 | N46 T47 S51 V52 K53 P127 | N46-I49 PolarHBondContact O-N 3.05Å; T47-I49 VanDerWaalsContact C-N 3.32Å; I49-S51 WeakPolarHBondContact CG2-OG 3.46Å; I49-S51 PolarHBondContact O-N 3.23Å; I49-V52 HydrophobicContact CB-CB 4.18Å; I49-V52 HydrophobicContact CB-CG2 3.98Å; I49-V52 HydrophobicContact CG2-CG2 4.01Å; I49-V52 PolarHBondContact O-N 3.03Å; I49-K53 WeakPolarHBondContact O-CB 3.24Å; I49-K53 PolarHBondContact O-N 3.41Å; I49-P127 HydrophobicContact CD1-CG 3.61Å; I49-P127 HydrophobicContact CG2-CG 4.43Å |
| 50 | L | 87.9 | Confident | 89.5 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | -173.4 | -178.3 | 63.6 | 0 | 0 | 0 | 112.9 | V52 K53 L54 | L50-V52 PolarHBondContact O-N 3.23Å; L50-K53 PolarHBondContact O-N 3.46Å; L50-L54 HydrophobicContact CD1-CD1 4.12Å; L50-L54 HydrophobicContact CD1-CG 4.16Å; L50-L54 HydrophobicContact CG-CD1 4Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.88Å |
| 51 | S | 88.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 179.5 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | I49 L55 W118 | I49-S51 WeakPolarHBondContact CG2-OG 3.46Å; I49-S51 PolarHBondContact O-N 3.23Å; S51-L55 WeakPolarHBondContact O-CB 3.27Å; S51-L55 PolarHBondContact O-N 2.94Å; S51-W118 WeakPolarHBondContact O-CZ2 3.26Å; S51-W118 PolarHBondContact O-NE1 2.85Å |
| 52 | V | 88.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 178.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | Y45 I49 L50 L55 F56 I128 | Y45-V52 HydrophobicContact CD1-CG1 4.06Å; I49-V52 HydrophobicContact CB-CB 4.18Å; I49-V52 HydrophobicContact CB-CG2 3.98Å; I49-V52 HydrophobicContact CG2-CG2 4.01Å; I49-V52 PolarHBondContact O-N 3.03Å; L50-V52 PolarHBondContact O-N 3.23Å; V52-L55 PolarHBondContact O-N 2.88Å; V52-F56 WeakPolarHBondContact O-CB 3.47Å; V52-F56 PolarHBondContact O-N 2.65Å; V52-I128 HydrophobicContact CG1-CD1 4.38Å; V52-I128 HydrophobicContact CG2-CD1 4Å; V52-I128 HydrophobicContact CG2-CG1 4.12Å; V52-I128 HydrophobicContact CG2-CG2 4.16Å |
| 53 | K | 90.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 62 Ų | 62 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 174.7 | -173.6 | -178.4 | -178.8 | 177.3 | 0 | 111.2 | T47 I49 L50 F56 Y57 | T47-K53 WeakPolarHBondContact O-CD 3.33Å; I49-K53 WeakPolarHBondContact O-CB 3.24Å; I49-K53 PolarHBondContact O-N 3.41Å; L50-K53 PolarHBondContact O-N 3.46Å; K53-F56 PolarHBondContact O-N 3.35Å; K53-Y57 HydrophobicContact CD-CE2 4.21Å; K53-Y57 HydrophobicContact CG-CD2 3.85Å; K53-Y57 HydrophobicContact CG-CE2 3.54Å; K53-Y57 WeakPolarHBondContact O-CD2 2.99Å; K53-Y57 PolarHBondContact O-N 3.48Å; K53-Y57 VanDerWaalsContact O-N 3.1Å |
| 54 | L | 90.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.2 | -71.9 | 171.7 | 0 | 0 | 0 | 111.8 | L50 H58 Y122 | L50-L54 HydrophobicContact CD1-CD1 4.12Å; L50-L54 HydrophobicContact CD1-CG 4.16Å; L50-L54 HydrophobicContact CG-CD1 4Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.88Å; L54-H58 WeakPolarHBondContact O-CB 3.26Å; L54-H58 PolarHBondContact O-N 3.15Å; L54-Y122 HydrophobicContact CD1-CE2 3.92Å |
| 55 | L | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.3 | 179.6 | 63.5 | 0 | 0 | 0 | 111.8 | Y45 S51 V52 H58 L59 W118 I128 Y135 | Y45-L55 HydrophobicContact CE1-CD2 4.1Å; Y45-L55 HydrophobicContact CE1-CG 4.41Å; S51-L55 WeakPolarHBondContact O-CB 3.27Å; S51-L55 PolarHBondContact O-N 2.94Å; V52-L55 PolarHBondContact O-N 2.88Å; L55-H58 WeakPolarHBondContact O-CB 3.39Å; L55-H58 PolarHBondContact O-N 3.19Å; L55-L59 HydrophobicContact CD1-CD1 4.37Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 4.17Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 3.16Å; L55-W118 HydrophobicContact CB-CH2 4.3Å; L55-W118 HydrophobicContact CB-CZ2 3.63Å; L55-W118 HydrophobicContact CD1-CD2 4.46Å; L55-W118 HydrophobicContact CD1-CE3 4.39Å; L55-W118 HydrophobicContact CD1-CH2 4.15Å; L55-W118 HydrophobicContact CD1-CZ2 4.22Å; L55-W118 HydrophobicContact CD1-CZ3 4.23Å; L55-W118 HydrophobicContact CD2-CH2 3.88Å; L55-W118 HydrophobicContact CD2-CZ2 4Å; L55-W118 HydrophobicContact CG-CH2 4.33Å; L55-W118 HydrophobicContact CG-CZ2 4.15Å; L55-I128 HydrophobicContact CD2-CD1 3.4Å; L55-Y135 HydrophobicContact CD1-CD1 3.5Å; L55-Y135 VanDerWaalsContact CD1-CD1 3.5Å; L55-Y135 HydrophobicContact CD1-CD2 3.61Å; L55-Y135 HydrophobicContact CD1-CE1 3.65Å; L55-Y135 HydrophobicContact CD1-CE2 3.78Å; L55-Y135 HydrophobicContact CD1-CG 3.46Å; L55-Y135 VanDerWaalsContact CD1-CG 3.46Å |
| 56 | F | 91.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 56 Ų | 56 | 23% | 0.228 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -49.9 | -179.8 | 179 | -106 | 0 | 0 | 0 | 112 | L40 Y45 T47 V52 K53 H58 L59 I60 | L40-F56 HydrophobicContact CD2-CD2 3.77Å; L40-F56 HydrophobicContact CD2-CE2 3.82Å; Y45-F56 HydrophobicContact CD1-CB 4.1Å; Y45-F56 HydrophobicContact CD1-CD2 4.17Å; Y45-F56 AromaticContact CD2-CD2 3.65Å; Y45-F56 HydrophobicContact CD2-CD2 3.65Å; Y45-F56 HydrophobicContact CD2-CE2 4.11Å; Y45-F56 HydrophobicContact CE2-CD2 4.34Å; Y45-F56 HydrophobicContact CG-CB 4.18Å; Y45-F56 AromaticContact CG-CD2 3.56Å; Y45-F56 HydrophobicContact CG-CD2 3.56Å; Y45-F56 HydrophobicContact CG-CE2 4.37Å; Y45-F56 HydrophobicContact CG-CG 4.25Å; T47-F56 HydrophobicContact CG2-CD1 4.21Å; V52-F56 WeakPolarHBondContact O-CB 3.47Å; V52-F56 PolarHBondContact O-N 2.65Å; K53-F56 PolarHBondContact O-N 3.35Å; F56-H58 VanDerWaalsContact C-N 3.29Å; F56-H58 PolarHBondContact O-N 3.07Å; F56-L59 PolarHBondContact O-N 3.43Å; F56-I60 HydrophobicContact CD1-CD1 3.85Å; F56-I60 HydrophobicContact CE1-CD1 3.38Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CG-CD1 4.46Å; F56-I60 HydrophobicContact CZ-CD1 3.62Å; F56-I60 WeakPolarHBondContact O-CG1 3.42Å; F56-I60 PolarHBondContact O-N 2.99Å |
| 57 | Y | 92.6 | Very high | 91.2 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -32.9 | 175.6 | -72.2 | -64.4 | 0 | 0 | 0 | 112.7 | K53 I60 G61 | K53-Y57 HydrophobicContact CD-CE2 4.21Å; K53-Y57 HydrophobicContact CG-CD2 3.85Å; K53-Y57 HydrophobicContact CG-CE2 3.54Å; K53-Y57 WeakPolarHBondContact O-CD2 2.99Å; K53-Y57 PolarHBondContact O-N 3.48Å; K53-Y57 VanDerWaalsContact O-N 3.1Å; Y57-I60 PolarHBondContact O-N 3.41Å; Y57-G61 PolarHBondContact O-N 2.9Å |
| 58 | H | 93.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.8 | -179.2 | 89.5 | 0 | 0 | 0 | 111.8 | L54 L55 F56 G61 Y62 W111 Y135 | L54-H58 WeakPolarHBondContact O-CB 3.26Å; L54-H58 PolarHBondContact O-N 3.15Å; L55-H58 WeakPolarHBondContact O-CB 3.39Å; L55-H58 PolarHBondContact O-N 3.19Å; F56-H58 VanDerWaalsContact C-N 3.29Å; F56-H58 PolarHBondContact O-N 3.07Å; H58-G61 PolarHBondContact O-N 3.33Å; H58-Y62 WeakPolarHBondContact O-CB 3.38Å; H58-Y62 PolarHBondContact O-N 3.14Å; H58-W111 AromaticContact CD2-NE1 3.89Å; H58-W111 AromaticContact CE1-CD1 3.36Å; H58-W111 AromaticContact CE1-CE2 3.83Å; H58-W111 AromaticContact CE1-CG 3.99Å; H58-W111 AromaticContact CE1-NE1 3.23Å; H58-W111 PolarHBondContact CE1-NE1 3.41Å; H58-W111 PolarHBondContact CE1-O 2.68Å; H58-W111 VanDerWaalsContact CE1-O 3.31Å; H58-W111 AromaticContact CG-NE1 3.84Å; H58-W111 AromaticContact ND1-CD1 3.97Å; H58-W111 AromaticContact ND1-CE2 3.62Å; H58-W111 AromaticContact ND1-CZ2 3.99Å; H58-W111 AromaticContact ND1-NE1 3.4Å; H58-W111 PolarHBondContact ND1-NE1 3.01Å; H58-W111 AromaticContact NE2-CD1 3.74Å; H58-W111 AromaticContact NE2-NE1 3.57Å; H58-W111 PolarHBondContact O-NE1 3.12Å; H58-Y135 AromaticContact CD2-CE2 3.38Å; H58-Y135 WeakPolarHBondContact CD2-CE2 3.21Å; H58-Y135 AromaticContact CD2-CZ 3.49Å; H58-Y135 VanDerWaalsContact CD2-CZ 3.49Å; H58-Y135 PolarHBondContact CD2-OH 2.89Å; H58-Y135 PolarHBondContact CE1-OH 3.42Å; H58-Y135 AromaticContact NE2-CE2 3.69Å; H58-Y135 AromaticContact NE2-CZ 3.68Å; H58-Y135 PolarHBondContact NE2-OH 3.36Å |
| 59 | L | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 176.3 | -73.1 | 172 | 0 | 0 | 0 | 111.9 | V36 L40 Y45 L55 F56 Y62 L63 Y135 | V36-L59 HydrophobicContact CG1-CB 4.47Å; V36-L59 HydrophobicContact CG1-CD2 4.28Å; L40-L59 HydrophobicContact CD1-CB 4.34Å; L40-L59 HydrophobicContact CD2-CB 3.8Å; L40-L59 HydrophobicContact CD2-CD1 4.12Å; L40-L59 HydrophobicContact CG-CB 4.23Å; Y45-L59 HydrophobicContact CE1-CD1 3.96Å; Y45-L59 VanDerWaalsContact OH-CD1 3.29Å; Y45-L59 WeakPolarHBondContact OH-CD1 3.48Å; L55-L59 HydrophobicContact CD1-CD1 4.37Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 4.17Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 3.16Å; F56-L59 PolarHBondContact O-N 3.43Å; L59-Y62 PolarHBondContact O-N 2.85Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 3.32Å; L59-Y135 HydrophobicContact CD2-CD2 3.8Å; L59-Y135 HydrophobicContact CD2-CE2 4.13Å; L59-Y135 HydrophobicContact CG-CD2 4.48Å |
| 60 | I | 93.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 46 Ų | 46 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62 | -48.3 | 174 | -69.3 | 170.8 | 0 | 0 | 0 | 111 | L40 F56 Y57 Y62 L63 L64 | L40-I60 HydrophobicContact CD1-CG1 4.29Å; L40-I60 HydrophobicContact CD2-CG1 4.46Å; F56-I60 HydrophobicContact CD1-CD1 3.85Å; F56-I60 HydrophobicContact CE1-CD1 3.38Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CG-CD1 4.46Å; F56-I60 HydrophobicContact CZ-CD1 3.62Å; F56-I60 WeakPolarHBondContact O-CG1 3.42Å; F56-I60 PolarHBondContact O-N 2.99Å; Y57-I60 PolarHBondContact O-N 3.41Å; I60-Y62 VanDerWaalsContact C-N 3.28Å; I60-Y62 PolarHBondContact O-N 2.98Å; I60-L63 WeakPolarHBondContact O-CB 3.41Å; I60-L63 PolarHBondContact O-N 3.48Å; I60-L64 PolarHBondContact O-N 3.42Å |
| 61 | G | 93.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y57 H58 L64 I65 | Y57-G61 PolarHBondContact O-N 2.9Å; H58-G61 PolarHBondContact O-N 3.33Å; G61-L64 PolarHBondContact O-N 3.34Å; G61-I65 WeakPolarHBondContact O-CG1 3.37Å; G61-I65 PolarHBondContact O-N 3.24Å; G61-I65 VanDerWaalsContact O-N 3.14Å |
| 62 | Y | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 176 | -172.4 | -124 | 0 | 0 | 0 | 112.1 | V36 H58 L59 I60 L64 I65 L66 W111 I138 N142 | V36-Y62 HydrophobicContact CG2-CD1 3.88Å; V36-Y62 HydrophobicContact CG2-CE1 4.04Å; H58-Y62 WeakPolarHBondContact O-CB 3.38Å; H58-Y62 PolarHBondContact O-N 3.14Å; L59-Y62 PolarHBondContact O-N 2.85Å; I60-Y62 VanDerWaalsContact C-N 3.28Å; I60-Y62 PolarHBondContact O-N 2.98Å; Y62-L64 VanDerWaalsContact C-N 3.3Å; Y62-L64 PolarHBondContact O-N 3.03Å; Y62-I65 PolarHBondContact O-N 3.43Å; Y62-L66 HydrophobicContact CD1-CD1 3.89Å; Y62-L66 HydrophobicContact CD1-CG 4.38Å; Y62-L66 HydrophobicContact CE1-CD1 3.43Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-L66 HydrophobicContact CE1-CD2 4.41Å; Y62-L66 HydrophobicContact CE1-CG 3.9Å; Y62-L66 HydrophobicContact CE2-CD2 4.42Å; Y62-L66 HydrophobicContact CE2-CG 4.1Å; Y62-L66 WeakPolarHBondContact O-CG 3.49Å; Y62-L66 PolarHBondContact O-N 2.93Å; Y62-L66 WeakPolarHBondContact OH-CD2 3.5Å; Y62-W111 AromaticContact CD2-CD1 3.92Å; Y62-I138 HydrophobicContact CD1-CG2 4.31Å; Y62-I138 HydrophobicContact CE1-CG2 3.72Å; Y62-N142 VanDerWaalsContact CZ-ND2 3.25Å; Y62-N142 PolarHBondContact OH-ND2 3.48Å; Y62-N142 PolarHBondContact OH-OD1 3.03Å |
| 63 | L | 94.2 | Very high | 93.3 | Very high | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.199 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 174.4 | -168.3 | 73 | 0 | 0 | 0 | 112.1 | F33 V36 S37 L40 L59 I60 L66 F67 | F33-L63 HydrophobicContact CD2-CD1 3.47Å; F33-L63 VanDerWaalsContact CD2-CD1 3.47Å; F33-L63 HydrophobicContact CD2-CG 4.2Å; F33-L63 HydrophobicContact CE2-CD1 3.4Å; F33-L63 HydrophobicContact CE2-CG 3.74Å; F33-L63 HydrophobicContact CG-CD1 4.08Å; F33-L63 HydrophobicContact CZ-CD1 3.96Å; F33-L63 HydrophobicContact CZ-CG 4.37Å; V36-L63 HydrophobicContact CB-CD1 4.22Å; V36-L63 HydrophobicContact CG1-CB 4.22Å; V36-L63 HydrophobicContact CG1-CD1 3.96Å; S37-L63 WeakPolarHBondContact OG-CD1 3.25Å; L40-L63 HydrophobicContact CD1-CD2 4.31Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 3.32Å; I60-L63 WeakPolarHBondContact O-CB 3.41Å; I60-L63 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.41Å; L63-F67 WeakPolarHBondContact O-CB 3.37Å; L63-F67 PolarHBondContact O-N 2.89Å |
| 64 | L | 94.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 42.7 Ų | 42.7 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.1 | -41.4 | 175.5 | -67.1 | 174.3 | 0 | 0 | 0 | 112.1 | I60 G61 Y62 F67 F68 | I60-L64 PolarHBondContact O-N 3.42Å; G61-L64 PolarHBondContact O-N 3.34Å; Y62-L64 VanDerWaalsContact C-N 3.3Å; Y62-L64 PolarHBondContact O-N 3.03Å; L64-F67 PolarHBondContact O-N 3.14Å; L64-F68 PolarHBondContact O-N 2.85Å |
| 65 | I | 93.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.9 | -66.6 | 169 | 0 | 0 | 0 | 110.3 | G61 Y62 F68 S69 D108 W111 | G61-I65 WeakPolarHBondContact O-CG1 3.37Å; G61-I65 PolarHBondContact O-N 3.24Å; G61-I65 VanDerWaalsContact O-N 3.14Å; Y62-I65 PolarHBondContact O-N 3.43Å; I65-F68 PolarHBondContact O-N 3.11Å; I65-S69 WeakPolarHBondContact O-CB 3.46Å; I65-S69 PolarHBondContact O-N 3.34Å; I65-D108 HydrophobicContact CG2-CB 4.15Å; I65-W111 HydrophobicContact CD1-CB 3.52Å; I65-W111 HydrophobicContact CD1-CD2 3.96Å; I65-W111 HydrophobicContact CD1-CG 3.47Å; I65-W111 VanDerWaalsContact CD1-CG 3.47Å |
| 66 | L | 93.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.5 | -79.6 | 175.9 | 0 | 0 | 0 | 112.1 | H29 C32 F33 V36 Y62 L63 F68 S69 I70 | H29-L66 HydrophobicContact CB-CD2 4.06Å; C32-L66 HydrophobicContact CB-CD1 4.05Å; C32-L66 HydrophobicContact CB-CD2 4.23Å; F33-L66 HydrophobicContact CB-CB 4.46Å; F33-L66 HydrophobicContact CB-CD1 4.29Å; F33-L66 HydrophobicContact CD2-CB 4.03Å; V36-L66 HydrophobicContact CG2-CD1 4.29Å; Y62-L66 HydrophobicContact CD1-CD1 3.89Å; Y62-L66 HydrophobicContact CD1-CG 4.38Å; Y62-L66 HydrophobicContact CE1-CD1 3.43Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-L66 HydrophobicContact CE1-CD2 4.41Å; Y62-L66 HydrophobicContact CE1-CG 3.9Å; Y62-L66 HydrophobicContact CE2-CD2 4.42Å; Y62-L66 HydrophobicContact CE2-CG 4.1Å; Y62-L66 WeakPolarHBondContact O-CG 3.49Å; Y62-L66 PolarHBondContact O-N 2.93Å; Y62-L66 WeakPolarHBondContact OH-CD2 3.5Å; L63-L66 PolarHBondContact O-N 3.41Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.42Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.47Å; L66-I70 WeakPolarHBondContact O-CB 3.48Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.45Å; L66-I70 PolarHBondContact O-N 3.27Å |
| 67 | F | 94.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 38.5 Ų | 38.5 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57 | -46.4 | 176.1 | 176 | -99.8 | 0 | 0 | 0 | 111.8 | F33 L63 L64 I70 C71 | F33-F67 HydrophobicContact CE2-CB 4.11Å; L63-F67 WeakPolarHBondContact O-CB 3.37Å; L63-F67 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 3.14Å; F67-I70 PolarHBondContact O-N 3.38Å; F67-C71 PolarHBondContact O-N 2.99Å; F67-C71 PolarHBondContact O-SG 3.05Å |
| 68 | F | 94.4 | Very high | 93.2 | Very high | 87 Ų | 87 | 35.9 Ų | 35.9 | 38% | 0.382 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 178.3 | -168.1 | -103.8 | 0 | 0 | 0 | 111.9 | L64 I65 L66 I70 C71 V72 L100 V104 | L64-F68 PolarHBondContact O-N 2.85Å; I65-F68 PolarHBondContact O-N 3.11Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.42Å; F68-I70 PolarHBondContact O-N 3.39Å; F68-C71 PolarHBondContact O-N 3.1Å; F68-V72 HydrophobicContact CD1-CG2 4.11Å; F68-V72 HydrophobicContact CE1-CG2 3.77Å; F68-V72 HydrophobicContact CZ-CG2 4.07Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.47Å; F68-L100 HydrophobicContact CE1-CD1 4.08Å; F68-L100 HydrophobicContact CE1-CD2 4.42Å; F68-L100 HydrophobicContact CE1-CG 4.03Å; F68-L100 HydrophobicContact CZ-CD1 3.78Å; F68-L100 HydrophobicContact CZ-CD2 3.9Å; F68-L100 HydrophobicContact CZ-CG 3.9Å; F68-V104 HydrophobicContact CD1-CB 4.44Å; F68-V104 HydrophobicContact CD1-CG1 4.39Å; F68-V104 HydrophobicContact CD1-CG2 3.25Å; F68-V104 HydrophobicContact CE1-CG2 3.25Å |
| 69 | S | 93.6 | Very high | 93 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 175 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | H29 I65 L66 C71 V72 E73 K101 | H29-S69 PolarHBondContact CE1-OG 2.94Å; H29-S69 PolarHBondContact ND1-OG 2.67Å; I65-S69 WeakPolarHBondContact O-CB 3.46Å; I65-S69 PolarHBondContact O-N 3.34Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.47Å; S69-C71 PolarHBondContact O-N 2.88Å; S69-V72 PolarHBondContact O-N 3.22Å; S69-E73 WeakPolarHBondContact O-CB 3.49Å; S69-E73 VanDerWaalsContact O-CG 3.28Å; S69-E73 WeakPolarHBondContact O-CG 3.08Å; S69-E73 PolarHBondContact O-N 2.96Å; S69-E73 PolarHBondContact OG-OE1 3.43Å; S69-K101 PolarHBondContact OG-NZ 3.27Å |
| 70 | I | 94.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 176.6 | -72.8 | 166.8 | 0 | 0 | 0 | 110.7 | L26 H29 F33 L66 F67 F68 V72 E73 I74 | L26-I70 HydrophobicContact CD1-CB 4.25Å; L26-I70 HydrophobicContact CD1-CG1 4.29Å; L26-I70 HydrophobicContact CD1-CG2 3.76Å; H29-I70 HydrophobicContact CB-CG1 3.97Å; F33-I70 HydrophobicContact CB-CD1 3.89Å; F33-I70 HydrophobicContact CD2-CD1 4.3Å; F33-I70 HydrophobicContact CG-CD1 4.14Å; L66-I70 WeakPolarHBondContact O-CB 3.48Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.45Å; L66-I70 PolarHBondContact O-N 3.27Å; F67-I70 PolarHBondContact O-N 3.38Å; F68-I70 PolarHBondContact O-N 3.39Å; I70-V72 VanDerWaalsContact C-N 3.32Å; I70-V72 PolarHBondContact O-N 2.98Å; I70-E73 PolarHBondContact O-N 3.07Å; I70-I74 HydrophobicContact CG2-CD1 3.73Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 2.87Å |
| 71 | C | 95 | Very high | 92.4 | Very high | 51 Ų | 51 | 37 Ų | 37 | 35% | 0.345 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 177.4 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | F67 F68 S69 G75 | F67-C71 PolarHBondContact O-N 2.99Å; F67-C71 PolarHBondContact O-SG 3.05Å; F68-C71 PolarHBondContact O-N 3.1Å; S69-C71 PolarHBondContact O-N 2.88Å; C71-G75 PolarHBondContact O-N 3.47Å; C71-G75 VanDerWaalsContact O-N 3.07Å |
| 72 | V | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | F68 S69 I70 G75 I76 W97 L100 K101 V104 | F68-V72 HydrophobicContact CD1-CG2 4.11Å; F68-V72 HydrophobicContact CE1-CG2 3.77Å; F68-V72 HydrophobicContact CZ-CG2 4.07Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact O-N 3.22Å; I70-V72 VanDerWaalsContact C-N 3.32Å; I70-V72 PolarHBondContact O-N 2.98Å; V72-G75 PolarHBondContact O-N 3.13Å; V72-I76 HydrophobicContact CG1-CD1 4.03Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.46Å; V72-W97 HydrophobicContact CB-CE3 4.5Å; V72-W97 HydrophobicContact CG1-CE3 4.26Å; V72-L100 HydrophobicContact CG2-CD2 3.65Å; V72-L100 HydrophobicContact CG2-CG 3.88Å; V72-K101 HydrophobicContact CG1-CB 3.72Å; V72-K101 HydrophobicContact CG1-CD 4.06Å; V72-K101 HydrophobicContact CG1-CG 4.38Å; V72-V104 HydrophobicContact CG2-CG2 4.23Å |
| 73 | E | 93.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 179.8 | -74.4 | 167.7 | 176.4 | 0 | 0 | 112.7 | L25 L26 H29 S69 I70 G75 I76 C77 K101 | L25-E73 WeakPolarHBondContact CB-OE1 3.4Å; L26-E73 VanDerWaalsContact CA-OE2 3.23Å; L26-E73 WeakPolarHBondContact CA-OE2 3.34Å; L26-E73 HydrophobicContact CB-CB 4.21Å; L26-E73 HydrophobicContact CD1-CB 4.28Å; L26-E73 PolarHBondContact N-OE2 3.19Å; H29-E73 IonicContact CE1-OE1 2.8Å; H29-E73 PolarHBondContact CE1-OE1 2.68Å; H29-E73 IonicContact CE1-OE2 2.89Å; H29-E73 IonicContact CG-OE2 3.35Å; H29-E73 IonicContact ND1-OE1 2.98Å; H29-E73 PolarHBondContact ND1-OE1 3.33Å; H29-E73 IonicContact ND1-OE2 3.79Å; H29-E73 PolarHBondContact ND1-OE2 2.86Å; S69-E73 WeakPolarHBondContact O-CB 3.49Å; S69-E73 VanDerWaalsContact O-CG 3.28Å; S69-E73 WeakPolarHBondContact O-CG 3.08Å; S69-E73 PolarHBondContact O-N 2.96Å; S69-E73 PolarHBondContact OG-OE1 3.43Å; I70-E73 PolarHBondContact O-N 3.07Å; E73-G75 VanDerWaalsContact C-N 3.34Å; E73-I76 PolarHBondContact O-N 3.18Å; E73-C77 PolarHBondContact O-N 3.07Å; E73-C77 PolarHBondContact O-SG 3.2Å; E73-K101 WeakPolarHBondContact OE1-CE 3.46Å; E73-K101 IonicContact OE1-NZ 3.45Å; E73-K101 PolarHBondContact OE1-NZ 2.91Å |
| 74 | I | 93.2 | Very high | 90.7 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 171.1 | -69.3 | 168.1 | 0 | 0 | 0 | 109.8 | L26 I70 I76 C77 V78 | L26-I74 HydrophobicContact CD1-CD1 4.28Å; L26-I74 HydrophobicContact CD1-CG1 3.75Å; L26-I74 HydrophobicContact CD2-CG1 3.91Å; I70-I74 HydrophobicContact CG2-CD1 3.73Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 2.87Å; I74-I76 PolarHBondContact O-N 3.38Å; I74-C77 PolarHBondContact O-N 3.15Å; I74-V78 HydrophobicContact CG2-CG2 4.19Å; I74-V78 WeakPolarHBondContact O-CB 2.83Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.25Å; I74-V78 PolarHBondContact O-N 3.5Å |
| 75 | G | 91.9 | Very high | 90 | Very high | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | C71 V72 E73 I79 | C71-G75 PolarHBondContact O-N 3.47Å; C71-G75 VanDerWaalsContact O-N 3.07Å; V72-G75 PolarHBondContact O-N 3.13Å; E73-G75 VanDerWaalsContact C-N 3.34Å; G75-I79 WeakPolarHBondContact O-CB 3.43Å; G75-I79 VanDerWaalsContact O-CG1 3.32Å; G75-I79 WeakPolarHBondContact O-CG1 2.98Å; G75-I79 PolarHBondContact O-N 2.65Å |
| 76 | I | 90.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 173.7 | -71 | 169.3 | 0 | 0 | 0 | 110.2 | L18 V72 E73 I74 V78 I79 S80 I94 W97 K101 | L18-I76 HydrophobicContact CB-CG2 3.95Å; L18-I76 HydrophobicContact CD1-CG2 4.43Å; V72-I76 HydrophobicContact CG1-CD1 4.03Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.46Å; E73-I76 PolarHBondContact O-N 3.18Å; I74-I76 PolarHBondContact O-N 3.38Å; I76-V78 PolarHBondContact O-N 2.84Å; I76-I79 PolarHBondContact O-N 3.25Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 3.01Å; I76-S80 PolarHBondContact O-OG 3.08Å; I76-I94 HydrophobicContact CG1-CD1 4.45Å; I76-I94 HydrophobicContact CG2-CD1 4.23Å; I76-W97 HydrophobicContact CG1-CB 3.82Å; I76-K101 HydrophobicContact CD1-CB 4.03Å; I76-K101 HydrophobicContact CD1-CG 4.21Å |
| 77 | C | 89.3 | Confident | 88.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.095 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | -179.1 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | G22 E73 I74 I79 S80 M81 | G22-C77 VanDerWaalsContact C-SG 3.52Å; E73-C77 PolarHBondContact O-N 3.07Å; E73-C77 PolarHBondContact O-SG 3.2Å; I74-C77 PolarHBondContact O-N 3.15Å; C77-I79 PolarHBondContact O-N 2.73Å; C77-S80 PolarHBondContact O-N 3.23Å; C77-M81 WeakPolarHBondContact O-CB 3.37Å; C77-M81 WeakPolarHBondContact O-CG 3.38Å; C77-M81 PolarHBondContact O-N 3.11Å |
| 78 | V | 89.7 | Confident | 87.2 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 44% | 0.436 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -44 | -178.2 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | I74 I76 M81 R82 | I74-V78 HydrophobicContact CG2-CG2 4.19Å; I74-V78 WeakPolarHBondContact O-CB 2.83Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.25Å; I74-V78 PolarHBondContact O-N 3.5Å; I76-V78 PolarHBondContact O-N 2.84Å; V78-M81 PolarHBondContact O-N 3.19Å; V78-R82 WeakPolarHBondContact O-CG 3.44Å |
| 79 | I | 89.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.6 | -43.7 | 179.7 | -67.6 | 167.9 | 0 | 0 | 0 | 110.5 | G75 I76 C77 M81 R82 R91 I94 W97 | G75-I79 WeakPolarHBondContact O-CB 3.43Å; G75-I79 VanDerWaalsContact O-CG1 3.32Å; G75-I79 WeakPolarHBondContact O-CG1 2.98Å; G75-I79 PolarHBondContact O-N 2.65Å; I76-I79 PolarHBondContact O-N 3.25Å; C77-I79 PolarHBondContact O-N 2.73Å; I79-M81 PolarHBondContact O-N 2.92Å; I79-R82 WeakPolarHBondContact O-CB 3.42Å; I79-R82 PolarHBondContact O-N 2.9Å; I79-R91 WeakPolarHBondContact O-CG 3.32Å; I79-I94 HydrophobicContact CB-CD1 4.35Å; I79-I94 HydrophobicContact CG2-CB 4.2Å; I79-I94 HydrophobicContact CG2-CD1 4.14Å; I79-W97 HydrophobicContact CD1-CD2 4.3Å; I79-W97 HydrophobicContact CD1-CG 4.04Å; I79-W97 HydrophobicContact CD1-CZ2 4.46Å |
| 80 | S | 86.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -20.7 | 178.9 | -68.8 | 0 | 0 | 0 | 0 | 113.6 | S15 V19 I76 C77 | S15-S80 VanDerWaalsContact O-CB 3.23Å; S15-S80 WeakPolarHBondContact O-CB 3.16Å; S15-S80 PolarHBondContact O-OG 2.72Å; V19-S80 VanDerWaalsContact CG2-CB 3.48Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 3.01Å; I76-S80 PolarHBondContact O-OG 3.08Å; C77-S80 PolarHBondContact O-N 3.23Å |
| 81 | M | 84.7 | Confident | 85 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.8 | 174.2 | -71.5 | 172.9 | 69.8 | 0 | 0 | 114.3 | V19 C77 V78 I79 W559 | V19-M81 HydrophobicContact CG1-CG 3.98Å; V19-M81 HydrophobicContact CG1-SD 4.39Å; V19-M81 HydrophobicContact CG2-CG 3.74Å; C77-M81 WeakPolarHBondContact O-CB 3.37Å; C77-M81 WeakPolarHBondContact O-CG 3.38Å; C77-M81 PolarHBondContact O-N 3.11Å; V78-M81 PolarHBondContact O-N 3.19Å; I79-M81 PolarHBondContact O-N 2.92Å; M81-W559 HydrophobicContact CE-CZ2 3.77Å |
| 82 | R | 84.8 | Confident | 84.3 | Confident | 139 Ų | 139 | 45.7 Ų | 45.7 | 53% | 0.525 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -81.7 | 141.5 | -176.7 | -66.7 | -179.6 | 178.3 | -172.9 | -3.1 | 112.8 | V78 I79 A90 R91 | V78-R82 WeakPolarHBondContact O-CG 3.44Å; I79-R82 WeakPolarHBondContact O-CB 3.42Å; I79-R82 PolarHBondContact O-N 2.9Å; R82-A90 HydrophobicContact CB-CB 4.33Å; R82-R91 WeakPolarHBondContact O-CD 3.29Å; R82-R91 PolarHBondContact O-NE 2.74Å |
| 83 | G | 81.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 75.7 | -176.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 84 | S | 80.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | trans | -88.7 | -179.8 | 177.1 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | L86 D87 R91 S554 | S84-L86 PolarHBondContact O-N 2.84Å; S84-L86 PolarHBondContact OG-N 3.35Å; S84-D87 PolarHBondContact O-N 2.8Å; S84-D87 PolarHBondContact OG-N 3.32Å; S84-R91 PolarHBondContact O-NH2 3.02Å; S84-S554 WeakPolarHBondContact CB-O 3.26Å | ||
| 85 | I | 79.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -62.3 | -16.9 | 174.5 | -49.4 | -179.4 | 0 | 0 | 0 | 112.4 | M1 A250 L254 I551 S554 D556 K558 | M1-I85 WeakPolarHBondContact CE-O 3.3Å; M1-I85 WeakPolarHBondContact CG-O 3.29Å; I85-A250 HydrophobicContact CD1-CB 3.91Å; I85-L254 HydrophobicContact CD1-CD1 4.22Å; I85-I551 HydrophobicContact CB-CG2 4.13Å; I85-I551 HydrophobicContact CG2-CG2 3.87Å; I85-S554 WeakPolarHBondContact CD1-OG 3.29Å; I85-D556 WeakPolarHBondContact CG1-O 3.44Å; I85-K558 HydrophobicContact CB-CG 4.41Å; I85-K558 HydrophobicContact CD1-CG 3.94Å; I85-K558 HydrophobicContact CG1-CG 3.83Å; I85-K558 HydrophobicContact CG2-CD 4.24Å; I85-K558 HydrophobicContact CG2-CG 3.91Å |
| 86 | L | 74.9 | Confident | 83.3 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 45% | 0.45 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -112.6 | -10.4 | 178.1 | -64.6 | -179.3 | 0 | 0 | 0 | 114.2 | M1 S84 A88 I551 Q552 | M1-L86 WeakPolarHBondContact CE-O 3.43Å; S84-L86 PolarHBondContact O-N 2.84Å; S84-L86 PolarHBondContact OG-N 3.35Å; L86-A88 PolarHBondContact O-N 2.91Å; L86-A88 VanDerWaalsContact O-N 3.13Å; L86-I551 HydrophobicContact CD1-CG2 4.2Å; L86-I551 HydrophobicContact CD2-CG2 3.9Å; L86-I551 HydrophobicContact CG-CG2 3.88Å; L86-Q552 HydrophobicContact CD1-CB 4.24Å; L86-Q552 HydrophobicContact CD1-CG 3.58Å |
| 87 | D | 77.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | trans | -84.2 | 84.7 | 178.7 | -176.7 | 8.1 | 0 | 0 | 0 | 112.5 | M1 S84 E89 A90 R91 | M1-D87 VanDerWaalsContact CE-N 3.25Å; M1-D87 WeakPolarHBondContact CE-O 3.42Å; S84-D87 PolarHBondContact O-N 2.8Å; S84-D87 PolarHBondContact OG-N 3.32Å; D87-E89 VanDerWaalsContact C-N 3.34Å; D87-E89 PolarHBondContact OD1-N 2.86Å; D87-A90 PolarHBondContact OD1-N 3.17Å; D87-A90 WeakPolarHBondContact OD2-CB 3.5Å; D87-R91 PolarHBondContact O-NE 2.81Å | ||
| 88 | A | 71.8 | Confident | 83.4 | Confident | 34 Ų | 34 | 56 Ų | 56 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | trans | -79.9 | -20.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 L86 R91 | M1-A88 VanDerWaalsContact CE-CA 3.47Å; M1-A88 HydrophobicContact CE-CB 3.72Å; M1-A88 HydrophobicContact SD-CB 3.84Å; L86-A88 PolarHBondContact O-N 2.91Å; L86-A88 VanDerWaalsContact O-N 3.13Å; A88-R91 PolarHBondContact O-N 3.36Å | ||
| 89 | E | 75.4 | Confident | 83.5 | Confident | 160 Ų | 160 | 57.4 Ų | 57.4 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71 | -38.9 | -175.1 | -65.7 | -166.8 | 167.5 | 0 | 0 | 111.6 | D87 R91 T92 | D87-E89 VanDerWaalsContact C-N 3.34Å; D87-E89 PolarHBondContact OD1-N 2.86Å; E89-R91 PolarHBondContact O-N 3.23Å; E89-T92 VanDerWaalsContact O-CG2 3.27Å; E89-T92 WeakPolarHBondContact O-CG2 3.45Å; E89-T92 PolarHBondContact O-N 3.27Å; E89-T92 PolarHBondContact O-OG1 2.86Å |
| 90 | A | 78.7 | Confident | 83.6 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -56.9 | -17 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R82 D87 | R82-A90 HydrophobicContact CB-CB 4.33Å; D87-A90 PolarHBondContact OD1-N 3.17Å; D87-A90 WeakPolarHBondContact OD2-CB 3.5Å |
| 91 | R | 82.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -115 | 8.8 | -174.3 | -65.7 | 178 | -83.6 | 161.6 | -42.1 | 114 | M1 S15 D16 I79 R82 S84 D87 A88 E89 S93 I94 | M1-R91 VanDerWaalsContact CE-CZ 3.42Å; M1-R91 VanDerWaalsContact SD-CZ 3.5Å; M1-R91 PolarHBondContact SD-NH1 3.49Å; M1-R91 PolarHBondContact SD-NH2 3.32Å; M1-R91 VanDerWaalsContact SD-NH2 3.36Å; S15-R91 PolarHBondContact OG-NH1 3.31Å; D16-R91 VanDerWaalsContact CG-CZ 3.5Å; D16-R91 VanDerWaalsContact N-NH1 3.13Å; D16-R91 IonicContact OD1-NH1 2.61Å; D16-R91 PolarHBondContact OD1-NH1 2.7Å; D16-R91 VanDerWaalsContact OD1-NH1 3.09Å; D16-R91 IonicContact OD2-CZ 2.83Å; D16-R91 IonicContact OD2-NH1 3.09Å; D16-R91 PolarHBondContact OD2-NH1 3.11Å; D16-R91 IonicContact OD2-NH2 3.07Å; D16-R91 PolarHBondContact OD2-NH2 3.12Å; I79-R91 WeakPolarHBondContact O-CG 3.32Å; R82-R91 WeakPolarHBondContact O-CD 3.29Å; R82-R91 PolarHBondContact O-NE 2.74Å; S84-R91 PolarHBondContact O-NH2 3.02Å; D87-R91 PolarHBondContact O-NE 2.81Å; A88-R91 PolarHBondContact O-N 3.36Å; E89-R91 PolarHBondContact O-N 3.23Å; R91-S93 PolarHBondContact O-N 2.89Å; R91-I94 VanDerWaalsContact O-CB 3.25Å; R91-I94 WeakPolarHBondContact O-CB 3.21Å; R91-I94 WeakPolarHBondContact O-CG2 3.33Å; R91-I94 PolarHBondContact O-N 2.91Å |
| 92 | T | 80.9 | Confident | 84.1 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.4 | -176.9 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | E89 I94 | E89-T92 VanDerWaalsContact O-CG2 3.27Å; E89-T92 WeakPolarHBondContact O-CG2 3.45Å; E89-T92 PolarHBondContact O-N 3.27Å; E89-T92 PolarHBondContact O-OG1 2.86Å; T92-I94 PolarHBondContact O-N 3.26Å |
| 93 | S | 86 | Confident | 84.5 | Confident | 58 Ų | 58 | 56 Ų | 56 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.9 | 178.5 | -49.2 | 0 | 0 | 0 | 0 | 114.1 | R91 N95 I96 | R91-S93 PolarHBondContact O-N 2.89Å; S93-N95 PolarHBondContact O-N 3.23Å; S93-N95 VanDerWaalsContact O-N 3.12Å; S93-I96 PolarHBondContact O-N 3.28Å; S93-I96 VanDerWaalsContact O-N 3.1Å |
| 94 | I | 87.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.7 | -31.9 | -177.5 | -164.1 | 61.8 | 0 | 0 | 0 | 112.7 | L4 L18 I76 I79 R91 T92 I96 W97 I98 | L4-I94 HydrophobicContact CD1-CG2 3.79Å; L18-I94 HydrophobicContact CD1-CD1 4.17Å; L18-I94 HydrophobicContact CD1-CG1 3.9Å; I76-I94 HydrophobicContact CG1-CD1 4.45Å; I76-I94 HydrophobicContact CG2-CD1 4.23Å; I79-I94 HydrophobicContact CB-CD1 4.35Å; I79-I94 HydrophobicContact CG2-CB 4.2Å; I79-I94 HydrophobicContact CG2-CD1 4.14Å; R91-I94 VanDerWaalsContact O-CB 3.25Å; R91-I94 WeakPolarHBondContact O-CB 3.21Å; R91-I94 WeakPolarHBondContact O-CG2 3.33Å; R91-I94 PolarHBondContact O-N 2.91Å; T92-I94 PolarHBondContact O-N 3.26Å; I94-I96 VanDerWaalsContact C-N 3.25Å; I94-I96 PolarHBondContact O-N 2.85Å; I94-W97 PolarHBondContact O-N 2.87Å; I94-W97 VanDerWaalsContact O-N 3.15Å; I94-I98 HydrophobicContact CG1-CD1 4.02Å; I94-I98 HydrophobicContact CG1-CG1 4.34Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 3.33Å |
| 95 | N | 88 | Confident | 85.6 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | -179.6 | -66.5 | -22.9 | 0 | 0 | 0 | 111.5 | V5 V6 S93 I98 Y99 | V5-N95 PolarHBondContact O-OD1 3.37Å; V6-N95 WeakPolarHBondContact CG2-OD1 3.38Å; S93-N95 PolarHBondContact O-N 3.23Å; S93-N95 VanDerWaalsContact O-N 3.12Å; N95-I98 PolarHBondContact O-N 2.01Å; N95-Y99 HydrophobicContact CB-CE2 4.29Å; N95-Y99 WeakPolarHBondContact O-CD2 3.24Å; N95-Y99 WeakPolarHBondContact O-CE2 3.44Å; N95-Y99 PolarHBondContact O-N 2.97Å; N95-Y99 VanDerWaalsContact O-N 3.11Å |
| 96 | I | 90.4 | Very high | 86.2 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 179.7 | -61.7 | 172.1 | 0 | 0 | 0 | 110.3 | S93 I94 I98 Y99 L100 | S93-I96 PolarHBondContact O-N 3.28Å; S93-I96 VanDerWaalsContact O-N 3.1Å; I94-I96 VanDerWaalsContact C-N 3.25Å; I94-I96 PolarHBondContact O-N 2.85Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 2.92Å; I96-Y99 PolarHBondContact O-N 3.11Å; I96-L100 PolarHBondContact O-N 3.23Å |
| 97 | W | 91.8 | Very high | 87.1 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -33.4 | -179.4 | -69.6 | 85 | 0 | 0 | 0 | 112.7 | V72 I76 I79 I94 L100 K101 | V72-W97 HydrophobicContact CB-CE3 4.5Å; V72-W97 HydrophobicContact CG1-CE3 4.26Å; I76-W97 HydrophobicContact CG1-CB 3.82Å; I79-W97 HydrophobicContact CD1-CD2 4.3Å; I79-W97 HydrophobicContact CD1-CG 4.04Å; I79-W97 HydrophobicContact CD1-CZ2 4.46Å; I94-W97 PolarHBondContact O-N 2.87Å; I94-W97 VanDerWaalsContact O-N 3.15Å; W97-L100 PolarHBondContact O-N 3.01Å; W97-K101 WeakPolarHBondContact O-CB 3.38Å; W97-K101 PolarHBondContact O-N 3.2Å |
| 98 | I | 89.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 61 Ų | 61 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 174.6 | -65.7 | 172.4 | 0 | 0 | 0 | 111.3 | L4 V6 L18 I94 N95 I96 L100 K101 S102 | L4-I98 HydrophobicContact CD1-CD1 4.23Å; L4-I98 HydrophobicContact CD2-CD1 3.49Å; L4-I98 VanDerWaalsContact CD2-CD1 3.49Å; L4-I98 HydrophobicContact CG-CD1 4.43Å; V6-I98 HydrophobicContact CG1-CG2 4Å; V6-I98 HydrophobicContact CG2-CD1 3.99Å; V6-I98 HydrophobicContact CG2-CG2 4.5Å; L18-I98 HydrophobicContact CD1-CD1 3.79Å; L18-I98 HydrophobicContact CD1-CG1 4.34Å; I94-I98 HydrophobicContact CG1-CD1 4.02Å; I94-I98 HydrophobicContact CG1-CG1 4.34Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 3.33Å; N95-I98 PolarHBondContact O-N 2.01Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 2.92Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-K101 PolarHBondContact O-N 3.05Å; I98-S102 WeakPolarHBondContact O-CB 2.97Å; I98-S102 PolarHBondContact O-N 3.45Å; I98-S102 PolarHBondContact O-OG 3.22Å |
| 99 | Y | 91.3 | Very high | 88.9 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.2 | -67.3 | -54.2 | 0 | 0 | 0 | 111.1 | V6 F7 N95 I96 S102 L103 | V6-Y99 HydrophobicContact CG1-CD1 4.19Å; V6-Y99 HydrophobicContact CG1-CE1 3.53Å; V6-Y99 HydrophobicContact CG1-CE2 4.33Å; F7-Y99 HydrophobicContact CD1-CD1 4.18Å; F7-Y99 AromaticContact CD1-CE1 3.57Å; F7-Y99 HydrophobicContact CD1-CE1 3.57Å; F7-Y99 HydrophobicContact CD2-CE1 4.43Å; F7-Y99 AromaticContact CE1-CD1 3.53Å; F7-Y99 HydrophobicContact CE1-CD1 3.53Å; F7-Y99 AromaticContact CE1-CE1 3.42Å; F7-Y99 HydrophobicContact CE1-CE1 3.42Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.42Å; F7-Y99 HydrophobicContact CE2-CD1 4.47Å; F7-Y99 HydrophobicContact CE2-CE1 4.29Å; F7-Y99 HydrophobicContact CG-CE1 4.08Å; F7-Y99 AromaticContact CZ-CD1 3.69Å; F7-Y99 HydrophobicContact CZ-CD1 3.69Å; F7-Y99 AromaticContact CZ-CE1 3.8Å; F7-Y99 HydrophobicContact CZ-CE1 3.8Å; F7-Y99 PolarHBondContact N-OH 3.05Å; F7-Y99 VanDerWaalsContact N-OH 3.1Å; N95-Y99 HydrophobicContact CB-CE2 4.29Å; N95-Y99 WeakPolarHBondContact O-CD2 3.24Å; N95-Y99 WeakPolarHBondContact O-CE2 3.44Å; N95-Y99 PolarHBondContact O-N 2.97Å; N95-Y99 VanDerWaalsContact O-N 3.11Å; I96-Y99 PolarHBondContact O-N 3.11Å; Y99-S102 WeakPolarHBondContact O-CB 3.27Å; Y99-S102 PolarHBondContact O-N 3.09Å; Y99-L103 PolarHBondContact O-N 2.84Å |
| 100 | L | 92.6 | Very high | 89.8 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.8 | -166.3 | 59.9 | 0 | 0 | 0 | 111.3 | F68 V72 I96 W97 I98 S102 L103 V104 | F68-L100 HydrophobicContact CE1-CD1 4.08Å; F68-L100 HydrophobicContact CE1-CD2 4.42Å; F68-L100 HydrophobicContact CE1-CG 4.03Å; F68-L100 HydrophobicContact CZ-CD1 3.78Å; F68-L100 HydrophobicContact CZ-CD2 3.9Å; F68-L100 HydrophobicContact CZ-CG 3.9Å; V72-L100 HydrophobicContact CG2-CD2 3.65Å; V72-L100 HydrophobicContact CG2-CG 3.88Å; I96-L100 PolarHBondContact O-N 3.23Å; W97-L100 PolarHBondContact O-N 3.01Å; I98-L100 VanDerWaalsContact C-N 3.32Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.92Å; L100-L103 WeakPolarHBondContact O-CB 3.39Å; L100-L103 PolarHBondContact O-N 3.01Å; L100-L103 VanDerWaalsContact O-N 3.09Å; L100-V104 WeakPolarHBondContact O-CG2 3.34Å; L100-V104 PolarHBondContact O-N 2.86Å |
| 101 | K | 91.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 10% | 0.1 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 177.2 | -175.9 | 54.4 | 170.9 | 177.2 | 0 | 112.4 | S69 V72 E73 I76 W97 I98 L103 V104 I105 | S69-K101 PolarHBondContact OG-NZ 3.27Å; V72-K101 HydrophobicContact CG1-CB 3.72Å; V72-K101 HydrophobicContact CG1-CD 4.06Å; V72-K101 HydrophobicContact CG1-CG 4.38Å; E73-K101 WeakPolarHBondContact OE1-CE 3.46Å; E73-K101 IonicContact OE1-NZ 3.45Å; E73-K101 PolarHBondContact OE1-NZ 2.91Å; I76-K101 HydrophobicContact CD1-CB 4.03Å; I76-K101 HydrophobicContact CD1-CG 4.21Å; W97-K101 WeakPolarHBondContact O-CB 3.38Å; W97-K101 PolarHBondContact O-N 3.2Å; I98-K101 PolarHBondContact O-N 3.05Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.08Å; K101-V104 WeakPolarHBondContact O-CB 3.38Å; K101-V104 PolarHBondContact O-N 3.39Å; K101-I105 HydrophobicContact CD-CD1 4.36Å; K101-I105 HydrophobicContact CD-CG1 4.36Å; K101-I105 HydrophobicContact CG-CD1 4.05Å; K101-I105 WeakPolarHBondContact O-CG1 3.45Å; K101-I105 PolarHBondContact O-N 2.8Å |
| 102 | S | 90.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | I98 Y99 L100 I105 L106 | I98-S102 WeakPolarHBondContact O-CB 2.97Å; I98-S102 PolarHBondContact O-N 3.45Å; I98-S102 PolarHBondContact O-OG 3.22Å; Y99-S102 WeakPolarHBondContact O-CB 3.27Å; Y99-S102 PolarHBondContact O-N 3.09Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.92Å; S102-I105 PolarHBondContact O-N 3.19Å; S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.4Å |
| 103 | L | 93.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 175.1 | 175.4 | 143.8 | 0 | 0 | 0 | 112 | Y99 L100 K101 I105 L106 F107 | Y99-L103 PolarHBondContact O-N 2.84Å; L100-L103 WeakPolarHBondContact O-CB 3.39Å; L100-L103 PolarHBondContact O-N 3.01Å; L100-L103 VanDerWaalsContact O-N 3.09Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.08Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 2.99Å; L103-L106 PolarHBondContact O-N 3.09Å; L103-F107 HydrophobicContact CD1-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CD2 3.66Å; L103-F107 HydrophobicContact CD2-CE2 3.52Å; L103-F107 HydrophobicContact CG-CD2 3.94Å; L103-F107 HydrophobicContact CG-CE2 3.67Å; L103-F107 VanDerWaalsContact O-CD2 3.24Å; L103-F107 WeakPolarHBondContact O-CD2 3.32Å; L103-F107 PolarHBondContact O-N 3.03Å; L103-F107 VanDerWaalsContact O-N 3.12Å |
| 104 | V | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | F68 V72 L100 K101 L106 F107 D108 | F68-V104 HydrophobicContact CD1-CB 4.44Å; F68-V104 HydrophobicContact CD1-CG1 4.39Å; F68-V104 HydrophobicContact CD1-CG2 3.25Å; F68-V104 HydrophobicContact CE1-CG2 3.25Å; V72-V104 HydrophobicContact CG2-CG2 4.23Å; L100-V104 WeakPolarHBondContact O-CG2 3.34Å; L100-V104 PolarHBondContact O-N 2.86Å; K101-V104 WeakPolarHBondContact O-CB 3.38Å; K101-V104 PolarHBondContact O-N 3.39Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.43Å; V104-F107 PolarHBondContact O-N 3.37Å; V104-D108 WeakPolarHBondContact O-CB 3.41Å; V104-D108 PolarHBondContact O-N 3.15Å |
| 105 | I | 91.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 179.7 | -69.4 | 166.2 | 0 | 0 | 0 | 111 | K101 S102 L103 D108 I109 T149 | K101-I105 HydrophobicContact CD-CD1 4.36Å; K101-I105 HydrophobicContact CD-CG1 4.36Å; K101-I105 HydrophobicContact CG-CD1 4.05Å; K101-I105 WeakPolarHBondContact O-CG1 3.45Å; K101-I105 PolarHBondContact O-N 2.8Å; S102-I105 PolarHBondContact O-N 3.19Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 2.99Å; I105-D108 PolarHBondContact O-N 3.39Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.43Å; I105-I109 PolarHBondContact O-N 3.28Å; I105-T149 HydrophobicContact CD1-CG2 4.23Å |
| 106 | L | 92.3 | Very high | 92.9 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 176.3 | -68.9 | 173.1 | 0 | 0 | 0 | 112.1 | S102 L103 V104 A110 | S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.4Å; L103-L106 PolarHBondContact O-N 3.09Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.43Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 2.96Å; L106-A110 VanDerWaalsContact O-N 3.09Å |
| 107 | F | 93.7 | Very high | 93 | Very high | 127 Ų | 127 | 56 Ų | 56 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 175.6 | -79.6 | -65.2 | 0 | 0 | 0 | 112.2 | L103 V104 A110 W111 | L103-F107 HydrophobicContact CD1-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CD2 3.66Å; L103-F107 HydrophobicContact CD2-CE2 3.52Å; L103-F107 HydrophobicContact CG-CD2 3.94Å; L103-F107 HydrophobicContact CG-CE2 3.67Å; L103-F107 VanDerWaalsContact O-CD2 3.24Å; L103-F107 WeakPolarHBondContact O-CD2 3.32Å; L103-F107 PolarHBondContact O-N 3.03Å; L103-F107 VanDerWaalsContact O-N 3.12Å; V104-F107 PolarHBondContact O-N 3.37Å; F107-A110 PolarHBondContact O-N 3.09Å; F107-W111 WeakPolarHBondContact O-CB 3.46Å; F107-W111 PolarHBondContact O-N 3.46Å |
| 108 | D | 92.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.4 | -170.7 | 45.6 | 0 | 0 | 0 | 111.4 | I65 V104 I105 A110 W111 L112 | I65-D108 HydrophobicContact CG2-CB 4.15Å; V104-D108 WeakPolarHBondContact O-CB 3.41Å; V104-D108 PolarHBondContact O-N 3.15Å; I105-D108 PolarHBondContact O-N 3.39Å; D108-A110 VanDerWaalsContact C-N 3.35Å; D108-A110 PolarHBondContact O-N 3.31Å; D108-W111 PolarHBondContact O-N 3.46Å; D108-L112 WeakPolarHBondContact O-CB 3.41Å; D108-L112 VanDerWaalsContact O-CG 3.24Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 3.31Å |
| 109 | I | 94.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.6 | -68.1 | 167.4 | 0 | 0 | 0 | 111.5 | I105 L112 A113 W143 V146 | I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.43Å; I105-I109 PolarHBondContact O-N 3.28Å; I109-L112 PolarHBondContact O-N 2.97Å; I109-A113 WeakPolarHBondContact O-CB 3.5Å; I109-A113 PolarHBondContact O-N 3.03Å; I109-W143 HydrophobicContact CG2-CH2 4.49Å; I109-V146 HydrophobicContact CD1-CG1 4.05Å; I109-V146 HydrophobicContact CG1-CG1 3.93Å; I109-V146 HydrophobicContact CG1-CG2 4.2Å |
| 110 | A | 95.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L106 F107 D108 A113 V114 | L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 2.96Å; L106-A110 VanDerWaalsContact O-N 3.09Å; F107-A110 PolarHBondContact O-N 3.09Å; D108-A110 VanDerWaalsContact C-N 3.35Å; D108-A110 PolarHBondContact O-N 3.31Å; A110-A113 WeakPolarHBondContact O-CB 3.48Å; A110-A113 PolarHBondContact O-N 2.55Å; A110-V114 PolarHBondContact O-N 3.47Å |
| 111 | W | 95.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 54.2 Ų | 54.2 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 177.8 | -159.7 | -106.1 | 0 | 0 | 0 | 111.7 | H58 Y62 I65 F107 D108 A113 V114 G115 | H58-W111 AromaticContact CD2-NE1 3.89Å; H58-W111 AromaticContact CE1-CD1 3.36Å; H58-W111 AromaticContact CE1-CE2 3.83Å; H58-W111 AromaticContact CE1-CG 3.99Å; H58-W111 AromaticContact CE1-NE1 3.23Å; H58-W111 PolarHBondContact CE1-NE1 3.41Å; H58-W111 PolarHBondContact CE1-O 2.68Å; H58-W111 VanDerWaalsContact CE1-O 3.31Å; H58-W111 AromaticContact CG-NE1 3.84Å; H58-W111 AromaticContact ND1-CD1 3.97Å; H58-W111 AromaticContact ND1-CE2 3.62Å; H58-W111 AromaticContact ND1-CZ2 3.99Å; H58-W111 AromaticContact ND1-NE1 3.4Å; H58-W111 PolarHBondContact ND1-NE1 3.01Å; H58-W111 AromaticContact NE2-CD1 3.74Å; H58-W111 AromaticContact NE2-NE1 3.57Å; H58-W111 PolarHBondContact O-NE1 3.12Å; Y62-W111 AromaticContact CD2-CD1 3.92Å; I65-W111 HydrophobicContact CD1-CB 3.52Å; I65-W111 HydrophobicContact CD1-CD2 3.96Å; I65-W111 HydrophobicContact CD1-CG 3.47Å; I65-W111 VanDerWaalsContact CD1-CG 3.47Å; F107-W111 WeakPolarHBondContact O-CB 3.46Å; F107-W111 PolarHBondContact O-N 3.46Å; D108-W111 PolarHBondContact O-N 3.46Å; W111-A113 VanDerWaalsContact C-N 3.27Å; W111-A113 PolarHBondContact O-N 3.05Å; W111-V114 WeakPolarHBondContact O-CB 3.44Å; W111-V114 PolarHBondContact O-N 3.47Å; W111-V114 VanDerWaalsContact O-N 3.11Å; W111-G115 PolarHBondContact O-N 3.15Å |
| 112 | L | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 174.4 | -72.5 | 169.2 | 0 | 0 | 0 | 112.4 | D108 I109 G115 S116 I139 N142 W143 V146 | D108-L112 WeakPolarHBondContact O-CB 3.41Å; D108-L112 VanDerWaalsContact O-CG 3.24Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 3.31Å; I109-L112 PolarHBondContact O-N 2.97Å; L112-G115 PolarHBondContact O-N 3.29Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 3.5Å; L112-S116 PolarHBondContact O-OG 3.44Å; L112-I139 HydrophobicContact CD2-CD1 3.92Å; L112-N142 HydrophobicContact CD1-CB 3.89Å; L112-N142 HydrophobicContact CD2-CB 3.46Å; L112-N142 VanDerWaalsContact CD2-CB 3.46Å; L112-N142 HydrophobicContact CG-CB 4.33Å; L112-W143 HydrophobicContact CB-CZ2 4.33Å; L112-V146 HydrophobicContact CD1-CG2 3.81Å |
| 113 | A | 94.8 | Very high | 93 | Very high | 42 Ų | 42 | 57 Ų | 57 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I109 A110 W111 G115 S116 V117 | I109-A113 WeakPolarHBondContact O-CB 3.5Å; I109-A113 PolarHBondContact O-N 3.03Å; A110-A113 WeakPolarHBondContact O-CB 3.48Å; A110-A113 PolarHBondContact O-N 2.55Å; W111-A113 VanDerWaalsContact C-N 3.27Å; W111-A113 PolarHBondContact O-N 3.05Å; A113-G115 VanDerWaalsContact C-N 3.29Å; A113-G115 PolarHBondContact O-N 3.16Å; A113-S116 WeakPolarHBondContact O-CB 3.43Å; A113-S116 PolarHBondContact O-N 2.84Å; A113-S116 VanDerWaalsContact O-N 3.17Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.44Å |
| 114 | V | 95.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A110 W111 S116 V117 W118 | A110-V114 PolarHBondContact O-N 3.47Å; W111-V114 WeakPolarHBondContact O-CB 3.44Å; W111-V114 PolarHBondContact O-N 3.47Å; W111-V114 VanDerWaalsContact O-N 3.11Å; V114-S116 VanDerWaalsContact C-N 3.35Å; V114-S116 PolarHBondContact O-N 3.36Å; V114-V117 PolarHBondContact O-N 2.95Å; V114-W118 PolarHBondContact O-N 3.31Å |
| 115 | G | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W111 L112 A113 W118 L119 Y135 | W111-G115 PolarHBondContact O-N 3.15Å; L112-G115 PolarHBondContact O-N 3.29Å; A113-G115 VanDerWaalsContact C-N 3.29Å; A113-G115 PolarHBondContact O-N 3.16Å; G115-W118 WeakPolarHBondContact O-CB 3.41Å; G115-W118 PolarHBondContact O-N 3.02Å; G115-L119 PolarHBondContact O-N 3.28Å; G115-Y135 WeakPolarHBondContact CA-OH 3.16Å |
| 116 | S | 94.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175 | -54 | 0 | 0 | 0 | 0 | 111.7 | L112 A113 V114 L119 G120 W143 | L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 3.5Å; L112-S116 PolarHBondContact O-OG 3.44Å; A113-S116 WeakPolarHBondContact O-CB 3.43Å; A113-S116 PolarHBondContact O-N 2.84Å; A113-S116 VanDerWaalsContact O-N 3.17Å; V114-S116 VanDerWaalsContact C-N 3.35Å; V114-S116 PolarHBondContact O-N 3.36Å; S116-L119 PolarHBondContact O-N 2.88Å; S116-G120 PolarHBondContact O-N 3.11Å; S116-W143 PolarHBondContact OG-NE1 3Å |
| 117 | V | 94.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 64% | 0.642 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 111 | A113 V114 L119 G120 H121 | A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.44Å; V114-V117 PolarHBondContact O-N 2.95Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.08Å; V117-G120 PolarHBondContact O-N 3.2Å; V117-H121 PolarHBondContact O-N 2.67Å |
| 118 | W | 94.1 | Very high | 91.1 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.9 | -174.8 | 98.4 | 0 | 0 | 0 | 111.5 | S51 L55 V114 G115 G120 H121 Y122 A126 Y135 | S51-W118 WeakPolarHBondContact O-CZ2 3.26Å; S51-W118 PolarHBondContact O-NE1 2.85Å; L55-W118 HydrophobicContact CB-CH2 4.3Å; L55-W118 HydrophobicContact CB-CZ2 3.63Å; L55-W118 HydrophobicContact CD1-CD2 4.46Å; L55-W118 HydrophobicContact CD1-CE3 4.39Å; L55-W118 HydrophobicContact CD1-CH2 4.15Å; L55-W118 HydrophobicContact CD1-CZ2 4.22Å; L55-W118 HydrophobicContact CD1-CZ3 4.23Å; L55-W118 HydrophobicContact CD2-CH2 3.88Å; L55-W118 HydrophobicContact CD2-CZ2 4Å; L55-W118 HydrophobicContact CG-CH2 4.33Å; L55-W118 HydrophobicContact CG-CZ2 4.15Å; V114-W118 PolarHBondContact O-N 3.31Å; G115-W118 WeakPolarHBondContact O-CB 3.41Å; G115-W118 PolarHBondContact O-N 3.02Å; W118-G120 VanDerWaalsContact C-N 3.33Å; W118-G120 PolarHBondContact O-N 3.42Å; W118-H121 PolarHBondContact O-N 3.19Å; W118-Y122 AromaticContact CD1-CD2 3.69Å; W118-Y122 HydrophobicContact CG-CD2 4.17Å; W118-Y122 AromaticContact NE1-CD2 3.86Å; W118-Y122 PolarHBondContact O-N 3.12Å; W118-A126 HydrophobicContact CH2-CB 4.26Å; W118-A126 HydrophobicContact CZ2-CB 4.34Å; W118-Y135 HydrophobicContact CD2-CE1 4.16Å; W118-Y135 AromaticContact CE3-CD1 3.73Å; W118-Y135 HydrophobicContact CE3-CD1 3.73Å; W118-Y135 AromaticContact CE3-CE1 3.45Å; W118-Y135 HydrophobicContact CE3-CE1 3.45Å; W118-Y135 VanDerWaalsContact CE3-CE1 3.45Å; W118-Y135 AromaticContact CZ3-CD1 3.69Å; W118-Y135 HydrophobicContact CZ3-CD1 3.69Å; W118-Y135 AromaticContact CZ3-CE1 3.93Å; W118-Y135 HydrophobicContact CZ3-CE1 3.93Å |
| 119 | L | 92.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.7 | -75.5 | 171.8 | 0 | 0 | 0 | 111.5 | G115 S116 V117 H121 Y123 Y135 I136 I139 | G115-L119 PolarHBondContact O-N 3.28Å; S116-L119 PolarHBondContact O-N 2.88Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.08Å; L119-H121 VanDerWaalsContact C-N 3.34Å; L119-H121 PolarHBondContact O-N 2.88Å; L119-Y123 HydrophobicContact CD2-CD2 3.65Å; L119-Y123 HydrophobicContact CD2-CE2 4.33Å; L119-Y123 HydrophobicContact CD2-CG 4.4Å; L119-Y123 WeakPolarHBondContact O-CB 3.44Å; L119-Y123 PolarHBondContact O-N 3.22Å; L119-Y135 HydrophobicContact CD2-CD1 3.78Å; L119-Y135 HydrophobicContact CD2-CE1 4.1Å; L119-Y135 HydrophobicContact CG-CD1 4.18Å; L119-Y135 HydrophobicContact CG-CE1 3.99Å; L119-I136 HydrophobicContact CD1-CB 4.44Å; L119-I136 HydrophobicContact CD1-CG1 4.18Å; L119-I136 HydrophobicContact CD2-CB 3.93Å; L119-I136 HydrophobicContact CD2-CG1 4.28Å; L119-I139 HydrophobicContact CD1-CB 3.84Å; L119-I139 HydrophobicContact CD1-CG1 3.87Å; L119-I139 HydrophobicContact CD1-CG2 3.78Å |
| 120 | G | 90.6 | Very high | 90.1 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 74% | 0.742 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S116 V117 W118 | S116-G120 PolarHBondContact O-N 3.11Å; V117-G120 PolarHBondContact O-N 3.2Å; W118-G120 VanDerWaalsContact C-N 3.33Å; W118-G120 PolarHBondContact O-N 3.42Å |
| 121 | H | 91.8 | Very high | 89.6 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -94.2 | -32.6 | -172.7 | -164.9 | 46.2 | 0 | 0 | 0 | 114.2 | V117 W118 L119 | V117-H121 PolarHBondContact O-N 2.67Å; W118-H121 PolarHBondContact O-N 3.19Å; L119-H121 VanDerWaalsContact C-N 3.34Å; L119-H121 PolarHBondContact O-N 2.88Å |
| 122 | Y | 90.1 | Very high | 89.2 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -121.8 | -6.9 | -167.8 | -63.6 | -65.5 | 0 | 0 | 0 | 115.3 | L54 W118 T124 T125 A126 | L54-Y122 HydrophobicContact CD1-CE2 3.92Å; W118-Y122 AromaticContact CD1-CD2 3.69Å; W118-Y122 HydrophobicContact CG-CD2 4.17Å; W118-Y122 AromaticContact NE1-CD2 3.86Å; W118-Y122 PolarHBondContact O-N 3.12Å; Y122-T124 PolarHBondContact O-N 2.94Å; Y122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Y122-T125 PolarHBondContact O-N 3.19Å; Y122-T125 PolarHBondContact O-OG1 3.29Å; Y122-A126 WeakPolarHBondContact O-CB 3.38Å; Y122-A126 PolarHBondContact O-N 3.14Å |
| 123 | Y | 88.6 | Confident | 88.9 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -41.7 | -173.9 | -178.6 | -97.7 | 0 | 0 | 0 | 113.7 | L119 K132 I136 | L119-Y123 HydrophobicContact CD2-CD2 3.65Å; L119-Y123 HydrophobicContact CD2-CE2 4.33Å; L119-Y123 HydrophobicContact CD2-CG 4.4Å; L119-Y123 WeakPolarHBondContact O-CB 3.44Å; L119-Y123 PolarHBondContact O-N 3.22Å; Y123-K132 HydrophobicContact CD2-CB 4.25Å; Y123-K132 HydrophobicContact CD2-CD 4.48Å; Y123-K132 HydrophobicContact CD2-CG 4.37Å; Y123-K132 HydrophobicContact CE2-CB 4.2Å; Y123-K132 HydrophobicContact CE2-CD 4.42Å; Y123-K132 HydrophobicContact CE2-CG 4.03Å; Y123-K132 WeakPolarHBondContact O-CD 3.47Å; Y123-I136 HydrophobicContact CE2-CB 4.11Å; Y123-I136 HydrophobicContact CE2-CD1 4.14Å; Y123-I136 HydrophobicContact CE2-CG2 4.06Å |
| 124 | T | 87.1 | Confident | 88.6 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -25.3 | 179.6 | 53 | 0 | 0 | 0 | 0 | 113 | Y122 | Y122-T124 PolarHBondContact O-N 2.94Š|
| 125 | T | 85.5 | Confident | 88.4 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -13.9 | -172.7 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | Y122 | Y122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Y122-T125 PolarHBondContact O-N 3.19Å; Y122-T125 PolarHBondContact O-OG1 3.29Å |
| 126 | A | 84.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | trans | -75.5 | 128 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W118 Y122 I128 K132 | W118-A126 HydrophobicContact CH2-CB 4.26Å; W118-A126 HydrophobicContact CZ2-CB 4.34Å; Y122-A126 WeakPolarHBondContact O-CB 3.38Å; Y122-A126 PolarHBondContact O-N 3.14Å; A126-I128 HydrophobicContact CB-CG1 4Å; A126-I128 PolarHBondContact O-N 3.06Å; A126-K132 PolarHBondContact O-NZ 3.02Å | ||
| 127 | P | 82.8 | Confident | 88.1 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -84.6 | 45.8 | -175.5 | 35.6 | -35.8 | 0 | 0 | 0 | 112.6 | I49 | I49-P127 HydrophobicContact CD1-CG 3.61Å; I49-P127 HydrophobicContact CG2-CG 4.43Å |
| 128 | I | 82.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | trans | -141.6 | 95 | -177.8 | 42.6 | 162.9 | 0 | 0 | 0 | 110.4 | V52 L55 A126 P131 K132 | V52-I128 HydrophobicContact CG1-CD1 4.38Å; V52-I128 HydrophobicContact CG2-CD1 4Å; V52-I128 HydrophobicContact CG2-CG1 4.12Å; V52-I128 HydrophobicContact CG2-CG2 4.16Å; L55-I128 HydrophobicContact CD2-CD1 3.4Å; A126-I128 HydrophobicContact CB-CG1 4Å; A126-I128 PolarHBondContact O-N 3.06Å; I128-P131 HydrophobicContact CB-CG 4.19Å; I128-P131 HydrophobicContact CD1-CB 4.29Å; I128-K132 WeakPolarHBondContact O-CB 3.36Å; I128-K132 WeakPolarHBondContact O-CD 3.27Å; I128-K132 WeakPolarHBondContact O-CG 3.08Å | ||
| 129 | D | 81.4 | Confident | 87.8 | Confident | 98 Ų | 98 | 56.1 Ų | 56.1 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.3 | -40.2 | -168.2 | -79.4 | -34.7 | 0 | 0 | 0 | 115.4 | K132 K133 | D129-K132 WeakPolarHBondContact O-CG 3.33Å; D129-K132 WeakPolarHBondContact OD1-CE 3.36Å; D129-K132 IonicContact OD1-NZ 3Å; D129-K132 PolarHBondContact OD1-NZ 3.1Å; D129-K133 WeakPolarHBondContact O-CD 3.44Å; D129-K133 WeakPolarHBondContact O-CE 3.26Å; D129-K133 VanDerWaalsContact O-CG 3.31Å; D129-K133 WeakPolarHBondContact O-CG 3.35Å |
| 130 | D | 83.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.5 | -44.9 | -177.7 | -59.5 | -42.2 | 0 | 0 | 0 | 113.4 | F43 K132 K133 V134 | F43-D130 HydrophobicContact CE1-CB 3.79Å; F43-D130 HydrophobicContact CZ-CB 4.04Å; D130-K132 VanDerWaalsContact C-N 3.32Å; D130-K132 PolarHBondContact O-N 3.13Å; D130-K133 PolarHBondContact O-N 3.3Å; D130-K133 IonicContact OD1-NZ 3.76Å; D130-V134 PolarHBondContact O-N 3.35Å |
| 131 | P | 85.1 | Confident | 87.8 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 179.2 | -22.1 | 31.9 | 0 | 0 | 0 | 113.4 | F43 Y45 I128 K133 V134 Y135 | F43-P131 HydrophobicContact CB-CG 3.91Å; F43-P131 HydrophobicContact CD1-CG 3.85Å; F43-P131 HydrophobicContact CD2-CB 4.26Å; F43-P131 HydrophobicContact CD2-CG 3.99Å; F43-P131 HydrophobicContact CE1-CG 4.34Å; F43-P131 HydrophobicContact CE2-CG 4.47Å; F43-P131 HydrophobicContact CG-CB 4.4Å; F43-P131 HydrophobicContact CG-CG 3.66Å; Y45-P131 HydrophobicContact CE1-CB 4.21Å; I128-P131 HydrophobicContact CB-CG 4.19Å; I128-P131 HydrophobicContact CD1-CB 4.29Å; P131-K133 VanDerWaalsContact C-N 3.33Å; P131-K133 PolarHBondContact O-N 3.16Å; P131-V134 PolarHBondContact O-N 2.91Å; P131-Y135 VanDerWaalsContact O-CB 3.29Å; P131-Y135 WeakPolarHBondContact O-CB 3.46Å; P131-Y135 PolarHBondContact O-N 2.92Å |
| 132 | K | 86.6 | Confident | 87.8 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -30.5 | 179.8 | 75.2 | -172.8 | 177.8 | -157.6 | 0 | 112.8 | Y123 A126 I128 D129 D130 Y135 I136 | Y123-K132 HydrophobicContact CD2-CB 4.25Å; Y123-K132 HydrophobicContact CD2-CD 4.48Å; Y123-K132 HydrophobicContact CD2-CG 4.37Å; Y123-K132 HydrophobicContact CE2-CB 4.2Å; Y123-K132 HydrophobicContact CE2-CD 4.42Å; Y123-K132 HydrophobicContact CE2-CG 4.03Å; Y123-K132 WeakPolarHBondContact O-CD 3.47Å; A126-K132 PolarHBondContact O-NZ 3.02Å; I128-K132 WeakPolarHBondContact O-CB 3.36Å; I128-K132 WeakPolarHBondContact O-CD 3.27Å; I128-K132 WeakPolarHBondContact O-CG 3.08Å; D129-K132 WeakPolarHBondContact O-CG 3.33Å; D129-K132 WeakPolarHBondContact OD1-CE 3.36Å; D129-K132 IonicContact OD1-NZ 3Å; D129-K132 PolarHBondContact OD1-NZ 3.1Å; D130-K132 VanDerWaalsContact C-N 3.32Å; D130-K132 PolarHBondContact O-N 3.13Å; K132-Y135 PolarHBondContact O-N 3.22Å; K132-I136 WeakPolarHBondContact O-CG2 3.29Å; K132-I136 PolarHBondContact O-N 3.35Å |
| 133 | K | 88.6 | Confident | 88 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 174.8 | -69.6 | 170.5 | -167.8 | 162.7 | 0 | 112 | D129 D130 P131 Y135 I136 A137 | D129-K133 WeakPolarHBondContact O-CD 3.44Å; D129-K133 WeakPolarHBondContact O-CE 3.26Å; D129-K133 VanDerWaalsContact O-CG 3.31Å; D129-K133 WeakPolarHBondContact O-CG 3.35Å; D130-K133 PolarHBondContact O-N 3.3Å; D130-K133 IonicContact OD1-NZ 3.76Å; P131-K133 VanDerWaalsContact C-N 3.33Å; P131-K133 PolarHBondContact O-N 3.16Å; K133-Y135 VanDerWaalsContact C-N 3.3Å; K133-I136 WeakPolarHBondContact O-CG2 3.29Å; K133-A137 PolarHBondContact O-N 2.92Å |
| 134 | V | 88.3 | Confident | 88 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | I35 F43 D130 P131 A137 I138 | I35-V134 HydrophobicContact CG2-CG1 4.04Å; F43-V134 HydrophobicContact CE2-CG2 4.45Å; D130-V134 PolarHBondContact O-N 3.35Å; P131-V134 PolarHBondContact O-N 2.91Å; V134-A137 PolarHBondContact O-N 2.86Å; V134-I138 HydrophobicContact CG1-CD1 3.86Å; V134-I138 WeakPolarHBondContact O-CG1 3.22Å; V134-I138 PolarHBondContact O-N 3.46Å |
| 135 | Y | 90 | Very high | 88.1 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | -179.5 | -174.8 | -117.5 | 0 | 0 | 0 | 113.8 | L55 H58 L59 G115 W118 L119 P131 K132 K133 A137 I138 I139 | L55-Y135 HydrophobicContact CD1-CD1 3.5Å; L55-Y135 VanDerWaalsContact CD1-CD1 3.5Å; L55-Y135 HydrophobicContact CD1-CD2 3.61Å; L55-Y135 HydrophobicContact CD1-CE1 3.65Å; L55-Y135 HydrophobicContact CD1-CE2 3.78Å; L55-Y135 HydrophobicContact CD1-CG 3.46Å; L55-Y135 VanDerWaalsContact CD1-CG 3.46Å; H58-Y135 AromaticContact CD2-CE2 3.38Å; H58-Y135 WeakPolarHBondContact CD2-CE2 3.21Å; H58-Y135 AromaticContact CD2-CZ 3.49Å; H58-Y135 VanDerWaalsContact CD2-CZ 3.49Å; H58-Y135 PolarHBondContact CD2-OH 2.89Å; H58-Y135 PolarHBondContact CE1-OH 3.42Å; H58-Y135 AromaticContact NE2-CE2 3.69Å; H58-Y135 AromaticContact NE2-CZ 3.68Å; H58-Y135 PolarHBondContact NE2-OH 3.36Å; L59-Y135 HydrophobicContact CD2-CD2 3.8Å; L59-Y135 HydrophobicContact CD2-CE2 4.13Å; L59-Y135 HydrophobicContact CG-CD2 4.48Å; G115-Y135 WeakPolarHBondContact CA-OH 3.16Å; W118-Y135 HydrophobicContact CD2-CE1 4.16Å; W118-Y135 AromaticContact CE3-CD1 3.73Å; W118-Y135 HydrophobicContact CE3-CD1 3.73Å; W118-Y135 AromaticContact CE3-CE1 3.45Å; W118-Y135 HydrophobicContact CE3-CE1 3.45Å; W118-Y135 VanDerWaalsContact CE3-CE1 3.45Å; W118-Y135 AromaticContact CZ3-CD1 3.69Å; W118-Y135 HydrophobicContact CZ3-CD1 3.69Å; W118-Y135 AromaticContact CZ3-CE1 3.93Å; W118-Y135 HydrophobicContact CZ3-CE1 3.93Å; L119-Y135 HydrophobicContact CD2-CD1 3.78Å; L119-Y135 HydrophobicContact CD2-CE1 4.1Å; L119-Y135 HydrophobicContact CG-CD1 4.18Å; L119-Y135 HydrophobicContact CG-CE1 3.99Å; P131-Y135 VanDerWaalsContact O-CB 3.29Å; P131-Y135 WeakPolarHBondContact O-CB 3.46Å; P131-Y135 PolarHBondContact O-N 2.92Å; K132-Y135 PolarHBondContact O-N 3.22Å; K133-Y135 VanDerWaalsContact C-N 3.3Å; Y135-A137 VanDerWaalsContact C-N 3.31Å; Y135-A137 PolarHBondContact O-N 2.94Å; Y135-I138 PolarHBondContact O-N 3.09Å; Y135-I139 HydrophobicContact CE1-CG1 4.2Å; Y135-I139 HydrophobicContact CE2-CD1 4.17Å; Y135-I139 HydrophobicContact CE2-CG1 4.15Å; Y135-I139 WeakPolarHBondContact O-CG1 3.37Å; Y135-I139 PolarHBondContact O-N 2.98Å |
| 136 | I | 91.5 | Very high | 88.3 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 175.7 | -171.1 | 171.1 | 0 | 0 | 0 | 111.8 | L119 Y123 K132 K133 I138 I139 I140 | L119-I136 HydrophobicContact CD1-CB 4.44Å; L119-I136 HydrophobicContact CD1-CG1 4.18Å; L119-I136 HydrophobicContact CD2-CB 3.93Å; L119-I136 HydrophobicContact CD2-CG1 4.28Å; Y123-I136 HydrophobicContact CE2-CB 4.11Å; Y123-I136 HydrophobicContact CE2-CD1 4.14Å; Y123-I136 HydrophobicContact CE2-CG2 4.06Å; K132-I136 WeakPolarHBondContact O-CG2 3.29Å; K132-I136 PolarHBondContact O-N 3.35Å; K133-I136 WeakPolarHBondContact O-CG2 3.29Å; I136-I138 PolarHBondContact O-N 3.18Å; I136-I139 PolarHBondContact O-N 2.73Å; I136-I140 HydrophobicContact CG1-CD1 3.93Å; I136-I140 HydrophobicContact CG1-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.35Å; I136-I140 PolarHBondContact O-N 3.32Å |
| 137 | A | 89.9 | Confident | 88.5 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K133 V134 Y135 I140 C141 | K133-A137 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 2.86Å; Y135-A137 VanDerWaalsContact C-N 3.31Å; Y135-A137 PolarHBondContact O-N 2.94Å; A137-I140 PolarHBondContact O-N 3.43Å; A137-C141 VanDerWaalsContact O-CB 3.3Å; A137-C141 WeakPolarHBondContact O-CB 3.3Å; A137-C141 PolarHBondContact O-N 2.95Å |
| 138 | I | 90.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 174.9 | -68.9 | 164.4 | 0 | 0 | 0 | 110.5 | I35 V36 Y62 V134 Y135 I136 I140 C141 N142 | I35-I138 HydrophobicContact CG2-CD1 4.13Å; I35-I138 HydrophobicContact CG2-CG1 4.43Å; V36-I138 HydrophobicContact CG2-CD1 3.85Å; Y62-I138 HydrophobicContact CD1-CG2 4.31Å; Y62-I138 HydrophobicContact CE1-CG2 3.72Å; V134-I138 HydrophobicContact CG1-CD1 3.86Å; V134-I138 WeakPolarHBondContact O-CG1 3.22Å; V134-I138 PolarHBondContact O-N 3.46Å; Y135-I138 PolarHBondContact O-N 3.09Å; I136-I138 PolarHBondContact O-N 3.18Å; I138-I140 PolarHBondContact O-N 3.47Å; I138-C141 PolarHBondContact O-N 2.98Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.43Å; I138-N142 WeakPolarHBondContact O-CB 3.46Å; I138-N142 PolarHBondContact O-N 3.38Å; I138-N142 PolarHBondContact O-ND2 3.23Å |
| 139 | I | 92.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | -179.6 | -65.7 | -65.6 | 0 | 0 | 0 | 111.6 | L112 L119 Y135 I136 N142 W143 | L112-I139 HydrophobicContact CD2-CD1 3.92Å; L119-I139 HydrophobicContact CD1-CB 3.84Å; L119-I139 HydrophobicContact CD1-CG1 3.87Å; L119-I139 HydrophobicContact CD1-CG2 3.78Å; Y135-I139 HydrophobicContact CE1-CG1 4.2Å; Y135-I139 HydrophobicContact CE2-CD1 4.17Å; Y135-I139 HydrophobicContact CE2-CG1 4.15Å; Y135-I139 WeakPolarHBondContact O-CG1 3.37Å; Y135-I139 PolarHBondContact O-N 2.98Å; I136-I139 PolarHBondContact O-N 2.73Å; I139-N142 PolarHBondContact O-N 3.44Å; I139-W143 PolarHBondContact O-N 3.45Å |
| 140 | I | 92 | Very high | 89 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 56% | 0.559 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | 177.4 | -68.3 | 168.9 | 0 | 0 | 0 | 110.8 | I136 A137 I138 N142 W143 A144 | I136-I140 HydrophobicContact CG1-CD1 3.93Å; I136-I140 HydrophobicContact CG1-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.35Å; I136-I140 PolarHBondContact O-N 3.32Å; A137-I140 PolarHBondContact O-N 3.43Å; I138-I140 PolarHBondContact O-N 3.47Å; I140-N142 VanDerWaalsContact C-N 3.32Å; I140-N142 PolarHBondContact O-N 2.87Å; I140-W143 PolarHBondContact O-N 3.31Å; I140-A144 PolarHBondContact O-N 3.28Å |
| 141 | C | 90.7 | Very high | 88.8 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 179.8 | -173 | 0 | 0 | 0 | 0 | 111.4 | A137 I138 A144 L145 | A137-C141 VanDerWaalsContact O-CB 3.3Å; A137-C141 WeakPolarHBondContact O-CB 3.3Å; A137-C141 PolarHBondContact O-N 2.95Å; I138-C141 PolarHBondContact O-N 2.98Å; C141-A144 WeakPolarHBondContact O-CB 3.38Å; C141-A144 PolarHBondContact O-N 2.88Å; C141-L145 WeakPolarHBondContact O-CG 2.87Å; C141-L145 PolarHBondContact O-N 3.08Å |
| 142 | N | 91 | Very high | 88.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -179.9 | -72.6 | -47.5 | 0 | 0 | 0 | 113.7 | Y62 L112 I138 I139 I140 A144 L145 V146 | Y62-N142 VanDerWaalsContact CZ-ND2 3.25Å; Y62-N142 PolarHBondContact OH-ND2 3.48Å; Y62-N142 PolarHBondContact OH-OD1 3.03Å; L112-N142 HydrophobicContact CD1-CB 3.89Å; L112-N142 HydrophobicContact CD2-CB 3.46Å; L112-N142 VanDerWaalsContact CD2-CB 3.46Å; L112-N142 HydrophobicContact CG-CB 4.33Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.43Å; I138-N142 WeakPolarHBondContact O-CB 3.46Å; I138-N142 PolarHBondContact O-N 3.38Å; I138-N142 PolarHBondContact O-ND2 3.23Å; I139-N142 PolarHBondContact O-N 3.44Å; I140-N142 VanDerWaalsContact C-N 3.32Å; I140-N142 PolarHBondContact O-N 2.87Å; N142-A144 VanDerWaalsContact C-N 3.27Å; N142-A144 PolarHBondContact O-N 3.38Å; N142-L145 WeakPolarHBondContact O-CB 3.2Å; N142-L145 PolarHBondContact O-N 2.82Å; N142-L145 VanDerWaalsContact O-N 3.16Å; N142-V146 WeakPolarHBondContact O-CG2 3.48Å; N142-V146 PolarHBondContact O-N 3.47Å |
| 143 | W | 94.3 | Very high | 88.4 | Confident | 94 Ų | 94 | 52.8 Ų | 52.8 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 171 | -87.1 | 116.1 | 0 | 0 | 0 | 111.7 | I109 L112 S116 I139 I140 V146 V147 | I109-W143 HydrophobicContact CG2-CH2 4.49Å; L112-W143 HydrophobicContact CB-CZ2 4.33Å; S116-W143 PolarHBondContact OG-NE1 3Å; I139-W143 PolarHBondContact O-N 3.45Å; I140-W143 PolarHBondContact O-N 3.31Å; W143-V146 PolarHBondContact O-N 3.23Å; W143-V147 WeakPolarHBondContact O-CG2 3.49Å; W143-V147 PolarHBondContact O-N 2.88Å |
| 144 | A | 90.1 | Very high | 88 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I140 C141 N142 V147 I148 | I140-A144 PolarHBondContact O-N 3.28Å; C141-A144 WeakPolarHBondContact O-CB 3.38Å; C141-A144 PolarHBondContact O-N 2.88Å; N142-A144 VanDerWaalsContact C-N 3.27Å; N142-A144 PolarHBondContact O-N 3.38Å; A144-V147 PolarHBondContact O-N 3.09Å; A144-I148 VanDerWaalsContact O-CG1 3.26Å; A144-I148 WeakPolarHBondContact O-CG1 3.49Å; A144-I148 PolarHBondContact O-N 2.91Å |
| 145 | L | 88.8 | Confident | 87.1 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.4 | -69.3 | 170.1 | 0 | 0 | 0 | 112.9 | I28 C141 N142 I148 T149 | I28-L145 HydrophobicContact CB-CD1 4.48Å; I28-L145 HydrophobicContact CB-CD2 4.5Å; I28-L145 HydrophobicContact CD1-CD2 3.71Å; I28-L145 HydrophobicContact CG2-CD1 3.44Å; I28-L145 VanDerWaalsContact CG2-CD1 3.44Å; I28-L145 HydrophobicContact CG2-CD2 3.96Å; I28-L145 HydrophobicContact CG2-CG 4.27Å; C141-L145 WeakPolarHBondContact O-CG 2.87Å; C141-L145 PolarHBondContact O-N 3.08Å; N142-L145 WeakPolarHBondContact O-CB 3.2Å; N142-L145 PolarHBondContact O-N 2.82Å; N142-L145 VanDerWaalsContact O-N 3.16Å; L145-I148 PolarHBondContact O-N 3.06Å; L145-T149 WeakPolarHBondContact O-CB 2.97Å; L145-T149 PolarHBondContact O-N 3.4Å; L145-T149 PolarHBondContact O-OG1 2.95Å |
| 146 | V | 90.4 | Very high | 86.2 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | I109 L112 N142 W143 I148 T149 L150 | I109-V146 HydrophobicContact CD1-CG1 4.05Å; I109-V146 HydrophobicContact CG1-CG1 3.93Å; I109-V146 HydrophobicContact CG1-CG2 4.2Å; L112-V146 HydrophobicContact CD1-CG2 3.81Å; N142-V146 WeakPolarHBondContact O-CG2 3.48Å; N142-V146 PolarHBondContact O-N 3.47Å; W143-V146 PolarHBondContact O-N 3.23Å; V146-I148 PolarHBondContact O-N 3.41Å; V146-T149 PolarHBondContact O-N 2.98Å; V146-L150 HydrophobicContact CG1-CD1 3.97Å; V146-L150 HydrophobicContact CG1-CG 4.32Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.84Å |
| 147 | V | 88.1 | Confident | 85.6 | Confident | 76 Ų | 76 | 55.7 Ų | 55.7 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | W143 A144 T149 L150 I151 | W143-V147 WeakPolarHBondContact O-CG2 3.49Å; W143-V147 PolarHBondContact O-N 2.88Å; A144-V147 PolarHBondContact O-N 3.09Å; V147-T149 VanDerWaalsContact C-N 3.31Å; V147-T149 PolarHBondContact O-N 2.96Å; V147-L150 PolarHBondContact O-N 2.82Å; V147-I151 HydrophobicContact CG1-CD1 3.78Å; V147-I151 HydrophobicContact CG1-CG1 4.45Å; V147-I151 WeakPolarHBondContact O-CB 3.47Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.46Å; V147-I151 PolarHBondContact O-N 3.44Å |
| 148 | I | 85.3 | Confident | 84.8 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.7 | -68.5 | 164.7 | 0 | 0 | 0 | 110.7 | A144 L145 V146 I151 T152 | A144-I148 VanDerWaalsContact O-CG1 3.26Å; A144-I148 WeakPolarHBondContact O-CG1 3.49Å; A144-I148 PolarHBondContact O-N 2.91Å; L145-I148 PolarHBondContact O-N 3.06Å; V146-I148 PolarHBondContact O-N 3.41Å; I148-I151 PolarHBondContact O-N 2.82Å; I148-T152 WeakPolarHBondContact O-CG2 3.3Å; I148-T152 PolarHBondContact O-N 2.91Å; I148-T152 PolarHBondContact O-OG1 3.42Å |
| 149 | T | 85.9 | Confident | 83.7 | Confident | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | I105 L145 V146 V147 T152 I153 | I105-T149 HydrophobicContact CD1-CG2 4.23Å; L145-T149 WeakPolarHBondContact O-CB 2.97Å; L145-T149 PolarHBondContact O-N 3.4Å; L145-T149 PolarHBondContact O-OG1 2.95Å; V146-T149 PolarHBondContact O-N 2.98Å; V147-T149 VanDerWaalsContact C-N 3.31Å; V147-T149 PolarHBondContact O-N 2.96Å; T149-T152 WeakPolarHBondContact CA-OG1 3.39Å; T149-T152 PolarHBondContact O-N 3.39Å; T149-T152 PolarHBondContact O-OG1 3.03Å; T149-I153 HydrophobicContact CG2-CD1 4.04Å; T149-I153 WeakPolarHBondContact O-CB 3.48Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.35Å; T149-I153 PolarHBondContact O-N 2.91Å |
| 150 | L | 86.1 | Confident | 82.5 | Confident | 92 Ų | 92 | 55 Ų | 55 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.4 | -70.4 | 175.2 | 0 | 0 | 0 | 112 | V146 V147 I153 W154 | V146-L150 HydrophobicContact CG1-CD1 3.97Å; V146-L150 HydrophobicContact CG1-CG 4.32Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.84Å; V147-L150 PolarHBondContact O-N 2.82Å; L150-I153 PolarHBondContact O-N 2.89Å; L150-W154 VanDerWaalsContact O-CB 3.26Å; L150-W154 WeakPolarHBondContact O-CB 3.27Å; L150-W154 PolarHBondContact O-N 2.84Å |
| 151 | I | 80.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 46% | 0.456 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.9 | -69.2 | 166.5 | 0 | 0 | 0 | 110.1 | V147 I148 W154 C155 | V147-I151 HydrophobicContact CG1-CD1 3.78Å; V147-I151 HydrophobicContact CG1-CG1 4.45Å; V147-I151 WeakPolarHBondContact O-CB 3.47Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.46Å; V147-I151 PolarHBondContact O-N 3.44Å; I148-I151 PolarHBondContact O-N 2.82Å; I151-W154 WeakPolarHBondContact O-CB 3.42Å; I151-W154 PolarHBondContact O-N 3.08Å; I151-C155 WeakPolarHBondContact O-CB 3.44Å; I151-C155 PolarHBondContact O-N 2.83Å; I151-C155 PolarHBondContact O-SG 3.45Å |
| 152 | T | 78.4 | Confident | 80.9 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | I148 T149 C155 T156 | I148-T152 WeakPolarHBondContact O-CG2 3.3Å; I148-T152 PolarHBondContact O-N 2.91Å; I148-T152 PolarHBondContact O-OG1 3.42Å; T149-T152 WeakPolarHBondContact CA-OG1 3.39Å; T149-T152 PolarHBondContact O-N 3.39Å; T149-T152 PolarHBondContact O-OG1 3.03Å; T152-C155 PolarHBondContact O-N 3.1Å; T152-T156 WeakPolarHBondContact O-CB 3.44Å; T152-T156 WeakPolarHBondContact O-CG2 3.2Å; T152-T156 PolarHBondContact O-N 3.13Å; T152-T156 PolarHBondContact O-OG1 3.2Å |
| 153 | I | 83.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 57 Ų | 57 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 172 | -70.2 | 167.2 | 0 | 0 | 0 | 110.2 | W11 T149 L150 C155 T156 F157 | W11-I153 HydrophobicContact CH2-CG2 4.04Å; W11-I153 HydrophobicContact CZ3-CG2 4.1Å; T149-I153 HydrophobicContact CG2-CD1 4.04Å; T149-I153 WeakPolarHBondContact O-CB 3.48Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.35Å; T149-I153 PolarHBondContact O-N 2.91Å; L150-I153 PolarHBondContact O-N 2.89Å; I153-C155 VanDerWaalsContact C-N 3.27Å; I153-C155 PolarHBondContact O-N 3.35Å; I153-T156 PolarHBondContact O-N 2.86Å; I153-T156 PolarHBondContact O-OG1 3.32Å; I153-F157 VanDerWaalsContact O-CB 3.29Å; I153-F157 WeakPolarHBondContact O-CB 3.46Å; I153-F157 PolarHBondContact O-N 3.39Å |
| 154 | W | 80.4 | Confident | 78.9 | Confident | 185 Ų | 185 | 54.1 Ų | 54.1 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.8 | -41.7 | 176.8 | 177.5 | -97.7 | 0 | 0 | 0 | 112.1 | L150 I151 | L150-W154 VanDerWaalsContact O-CB 3.26Å; L150-W154 WeakPolarHBondContact O-CB 3.27Å; L150-W154 PolarHBondContact O-N 2.84Å; I151-W154 WeakPolarHBondContact O-CB 3.42Å; I151-W154 PolarHBondContact O-N 3.08Å |
| 155 | C | 68.9 | Low | 78.3 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 179.7 | -70.1 | 0 | 0 | 0 | 0 | 113.5 | I151 T152 I153 L212 L213 | I151-C155 WeakPolarHBondContact O-CB 3.44Å; I151-C155 PolarHBondContact O-N 2.83Å; I151-C155 PolarHBondContact O-SG 3.45Å; T152-C155 PolarHBondContact O-N 3.1Å; I153-C155 VanDerWaalsContact C-N 3.27Å; I153-C155 PolarHBondContact O-N 3.35Å; C155-L212 VanDerWaalsContact SG-CD2 3.52Å; C155-L213 HydrophobicContact CB-CD1 4.31Å; C155-L213 HydrophobicContact CB-CD2 3.37Å; C155-L213 HydrophobicContact CB-CG 3.66Å |
| 156 | T | 72.8 | Confident | 77.7 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -88.7 | -14.2 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | S12 V13 T152 I153 L213 | S12-T156 PolarHBondContact N-O 2.88Å; S12-T156 WeakPolarHBondContact OG-CA 3.49Å; S12-T156 PolarHBondContact OG-O 3Å; V13-T156 HydrophobicContact CG1-CG2 3.54Å; T152-T156 WeakPolarHBondContact O-CB 3.44Å; T152-T156 WeakPolarHBondContact O-CG2 3.2Å; T152-T156 PolarHBondContact O-N 3.13Å; T152-T156 PolarHBondContact O-OG1 3.2Å; I153-T156 PolarHBondContact O-N 2.86Å; I153-T156 PolarHBondContact O-OG1 3.32Å; T156-L213 HydrophobicContact CG2-CD1 4.47Å; T156-L213 HydrophobicContact CG2-CD2 4.12Å |
| 157 | F | 78.4 | Confident | 76.9 | Confident | 59 Ų | 59 | 60 Ų | 60 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | trans | -58.6 | 144.9 | 173.7 | -175 | -110 | 0 | 0 | 0 | 110.2 | R9 W11 I153 R209 | R9-F157 VanDerWaalsContact CZ-CZ 3.46Å; W11-F157 AromaticContact CH2-CD2 3.85Å; W11-F157 HydrophobicContact CH2-CD2 3.85Å; W11-F157 HydrophobicContact CZ2-CD2 4.24Å; W11-F157 HydrophobicContact CZ3-CB 4.03Å; W11-F157 HydrophobicContact CZ3-CD2 4.11Å; I153-F157 VanDerWaalsContact O-CB 3.29Å; I153-F157 WeakPolarHBondContact O-CB 3.46Å; I153-F157 PolarHBondContact O-N 3.39Å; F157-R209 PolarHBondContact O-NH1 2.98Å | ||
| 158 | D | 72.4 | Confident | 76.1 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | trans | -119.5 | 113.9 | 172.3 | 174.8 | 5.4 | 0 | 0 | 0 | 109.4 | R9 R10 A160 G161 | R9-D158 PolarHBondContact NE-O 3.44Å; R10-D158 WeakPolarHBondContact O-CB 3.41Å; D158-A160 VanDerWaalsContact C-N 3.3Å; D158-A160 PolarHBondContact O-N 3.26Å; D158-A160 WeakPolarHBondContact OD1-CA 3.25Å; D158-A160 PolarHBondContact OD1-N 2.91Å; D158-G161 PolarHBondContact O-N 3.17Å; D158-G161 PolarHBondContact OD1-N 3.45Å; D158-G161 VanDerWaalsContact OD1-N 3.08Å; D158-G161 VanDerWaalsContact OD2-CA 3.24Å; D158-G161 WeakPolarHBondContact OD2-CA 3.43Å; D158-G161 PolarHBondContact OD2-N 3.12Å | ||
| 159 | A | 68.1 | Low | 75.7 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -64.6 | -37.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R9 | R9-A159 PolarHBondContact NH2-O 2.88Š|
| 160 | A | 66.9 | Low | 74.9 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -83.5 | -11.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D158 R162 S163 W164 A201 | D158-A160 VanDerWaalsContact C-N 3.3Å; D158-A160 PolarHBondContact O-N 3.26Å; D158-A160 WeakPolarHBondContact OD1-CA 3.25Å; D158-A160 PolarHBondContact OD1-N 2.91Å; A160-R162 PolarHBondContact O-N 3.09Å; A160-S163 WeakPolarHBondContact O-CB 3.4Å; A160-S163 PolarHBondContact O-N 3.45Å; A160-W164 PolarHBondContact O-N 2.99Å; A160-A201 HydrophobicContact CB-CB 4.48Å |
| 161 | G | 71.6 | Confident | 74 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.2 | -30.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | R10 D158 V165 | R10-G161 PolarHBondContact N-O 3.48Å; D158-G161 PolarHBondContact O-N 3.17Å; D158-G161 PolarHBondContact OD1-N 3.45Å; D158-G161 VanDerWaalsContact OD1-N 3.08Å; D158-G161 VanDerWaalsContact OD2-CA 3.24Å; D158-G161 WeakPolarHBondContact OD2-CA 3.43Å; D158-G161 PolarHBondContact OD2-N 3.12Å; G161-V165 WeakPolarHBondContact O-CG2 3.43Å; G161-V165 PolarHBondContact O-N 3.46Å; G161-V165 VanDerWaalsContact O-N 3.14Å |
| 162 | R | 76.8 | Confident | 73.4 | Confident | 150 Ų | 150 | 72.5 Ų | 72.5 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | 176.7 | -165.6 | 179.3 | -176.5 | -164.2 | 2.6 | 111.6 | R9 A160 W164 K166 | R9-R162 HydrophobicContact CG-CB 3.73Å; R9-R162 HydrophobicContact CG-CG 4.48Å; A160-R162 PolarHBondContact O-N 3.09Å; R162-W164 VanDerWaalsContact C-N 3.33Å; R162-K166 WeakPolarHBondContact O-CG 3.27Å; R162-K166 PolarHBondContact O-N 3.28Å |
| 163 | S | 74 | Confident | 72.9 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | 178 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | A160 K166 M167 | A160-S163 WeakPolarHBondContact O-CB 3.4Å; A160-S163 PolarHBondContact O-N 3.45Å; S163-K166 PolarHBondContact O-N 2.91Å; S163-M167 WeakPolarHBondContact O-CB 3.37Å; S163-M167 PolarHBondContact O-N 3.45Å |
| 164 | W | 70.4 | Confident | 71.9 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.2 | -171.8 | 98.1 | 0 | 0 | 0 | 112.7 | R10 A160 R162 K166 M167 K168 D242 | R10-W164 HydrophobicContact CB-CE3 4.11Å; R10-W164 HydrophobicContact CG-CE3 4.42Å; A160-W164 PolarHBondContact O-N 2.99Å; R162-W164 VanDerWaalsContact C-N 3.33Å; W164-K166 VanDerWaalsContact C-N 3.3Å; W164-K166 PolarHBondContact O-N 3.34Å; W164-M167 HydrophobicContact CG-CE 4.48Å; W164-M167 WeakPolarHBondContact O-CB 3.16Å; W164-M167 PolarHBondContact O-N 3.46Å; W164-M167 VanDerWaalsContact O-N 3.1Å; W164-K168 HydrophobicContact CD2-CG 4.1Å; W164-K168 HydrophobicContact CE3-CG 4.09Å; W164-K168 HydrophobicContact CH2-CB 4.49Å; W164-K168 HydrophobicContact CH2-CD 4.24Å; W164-K168 HydrophobicContact CH2-CG 3.58Å; W164-K168 HydrophobicContact CZ2-CD 4.08Å; W164-K168 VanDerWaalsContact CZ2-CE 3.41Å; W164-K168 HydrophobicContact CZ2-CG 3.55Å; W164-K168 HydrophobicContact CZ3-CB 4.34Å; W164-K168 HydrophobicContact CZ3-CG 3.84Å; W164-K168 PolarHBondContact O-N 2.79Å; W164-D242 WeakPolarHBondContact CH2-OD2 3.41Å; W164-D242 WeakPolarHBondContact CZ2-OD2 3.33Å |
| 165 | V | 76.3 | Confident | 71.2 | Confident | 39 Ų | 39 | 71 Ų | 71 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | V5 R10 G161 K168 K169 | V5-V165 HydrophobicContact CG1-CG2 4.19Å; R10-V165 HydrophobicContact CB-CG2 4.06Å; G161-V165 WeakPolarHBondContact O-CG2 3.43Å; G161-V165 PolarHBondContact O-N 3.46Å; G161-V165 VanDerWaalsContact O-N 3.14Å; V165-K168 PolarHBondContact O-N 2.92Å; V165-K169 WeakPolarHBondContact O-CB 3.49Å; V165-K169 PolarHBondContact O-N 3.43Å |
| 166 | K | 77.4 | Confident | 70.8 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 174.1 | -73.4 | -178.9 | 178.6 | -174.2 | 0 | 111.9 | R162 S163 W164 K169 Y170 | R162-K166 WeakPolarHBondContact O-CG 3.27Å; R162-K166 PolarHBondContact O-N 3.28Å; S163-K166 PolarHBondContact O-N 2.91Å; W164-K166 VanDerWaalsContact C-N 3.3Å; W164-K166 PolarHBondContact O-N 3.34Å; K166-K169 PolarHBondContact O-N 2.89Å; K166-Y170 WeakPolarHBondContact O-CB 3.47Å; K166-Y170 PolarHBondContact O-N 3.12Å |
| 167 | M | 73.3 | Confident | 70.3 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 177.8 | -179.6 | -178.2 | 72.3 | 0 | 0 | 112 | S163 W164 Y170 Q171 Q195 V198 | S163-M167 WeakPolarHBondContact O-CB 3.37Å; S163-M167 PolarHBondContact O-N 3.45Å; W164-M167 HydrophobicContact CG-CE 4.48Å; W164-M167 WeakPolarHBondContact O-CB 3.16Å; W164-M167 PolarHBondContact O-N 3.46Å; W164-M167 VanDerWaalsContact O-N 3.1Å; M167-Y170 WeakPolarHBondContact O-CB 3.26Å; M167-Y170 PolarHBondContact O-N 2.68Å; M167-Q171 WeakPolarHBondContact O-CG 3.18Å; M167-Q171 PolarHBondContact O-N 3.05Å; M167-Q195 HydrophobicContact SD-CB 4.47Å; M167-Q195 HydrophobicContact SD-CG 4.19Å; M167-V198 HydrophobicContact SD-CG1 4.46Å |
| 168 | K | 71.4 | Confident | 69.3 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 177.8 | -85.4 | -75.3 | -171.7 | -177 | 0 | 112.6 | W164 V165 Y170 Q171 R172 | W164-K168 HydrophobicContact CD2-CG 4.1Å; W164-K168 HydrophobicContact CE3-CG 4.09Å; W164-K168 HydrophobicContact CH2-CB 4.49Å; W164-K168 HydrophobicContact CH2-CD 4.24Å; W164-K168 HydrophobicContact CH2-CG 3.58Å; W164-K168 HydrophobicContact CZ2-CD 4.08Å; W164-K168 VanDerWaalsContact CZ2-CE 3.41Å; W164-K168 HydrophobicContact CZ2-CG 3.55Å; W164-K168 HydrophobicContact CZ3-CB 4.34Å; W164-K168 HydrophobicContact CZ3-CG 3.84Å; W164-K168 PolarHBondContact O-N 2.79Å; V165-K168 PolarHBondContact O-N 2.92Å; K168-Y170 VanDerWaalsContact C-N 3.3Å; K168-Y170 PolarHBondContact O-N 3.07Å; K168-Q171 PolarHBondContact O-N 2.97Å; K168-R172 WeakPolarHBondContact O-CB 3.17Å; K168-R172 PolarHBondContact O-N 2.92Å |
| 169 | K | 75.8 | Confident | 68.5 | Low | 164 Ų | 164 | 85.2 Ų | 85.2 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 174.6 | -170.4 | 175.9 | -178.7 | 178.9 | 0 | 111.1 | V165 K166 R172 S173 | V165-K169 WeakPolarHBondContact O-CB 3.49Å; V165-K169 PolarHBondContact O-N 3.43Å; K166-K169 PolarHBondContact O-N 2.89Å; K169-R172 PolarHBondContact O-N 2.83Å; K169-S173 PolarHBondContact O-N 2.89Å; K169-S173 PolarHBondContact O-OG 2.91Å |
| 170 | Y | 69.3 | Low | 67.9 | Low | 127 Ų | 127 | 92.3 Ų | 92.3 | 50% | 0.498 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.3 | -178.6 | -101.4 | 0 | 0 | 0 | 112.3 | K166 M167 K168 R172 S173 M174 | K166-Y170 WeakPolarHBondContact O-CB 3.47Å; K166-Y170 PolarHBondContact O-N 3.12Å; M167-Y170 WeakPolarHBondContact O-CB 3.26Å; M167-Y170 PolarHBondContact O-N 2.68Å; K168-Y170 VanDerWaalsContact C-N 3.3Å; K168-Y170 PolarHBondContact O-N 3.07Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.79Å; Y170-S173 WeakPolarHBondContact CA-OG 3.37Å; Y170-S173 PolarHBondContact O-N 2.78Å; Y170-S173 PolarHBondContact O-OG 2.84Å; Y170-M174 HydrophobicContact CD1-CG 4.31Å; Y170-M174 HydrophobicContact CD1-SD 4.23Å; Y170-M174 HydrophobicContact CE1-CG 3.92Å; Y170-M174 HydrophobicContact CE1-SD 3.42Å; Y170-M174 WeakPolarHBondContact CE1-SD 3.25Å; Y170-M174 HydrophobicContact CE2-CG 4.38Å; Y170-M174 WeakPolarHBondContact O-CB 3.36Å; Y170-M174 WeakPolarHBondContact O-CG 3.47Å; Y170-M174 PolarHBondContact O-N 3.46Å |
| 171 | Q | 67.1 | Low | 67.2 | Low | 71 Ų | 71 | 98.8 Ų | 98.8 | 33% | 0.332 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.6 | -78.2 | 178.1 | -22 | 0 | 0 | 112.3 | M167 K168 M174 R175 | M167-Q171 WeakPolarHBondContact O-CG 3.18Å; M167-Q171 PolarHBondContact O-N 3.05Å; K168-Q171 PolarHBondContact O-N 2.97Å; Q171-M174 PolarHBondContact O-N 2.82Å; Q171-R175 WeakPolarHBondContact O-CB 3.45Å; Q171-R175 PolarHBondContact O-N 2.99Å |
| 172 | R | 68.1 | Low | 66.2 | Low | 179 Ų | 179 | 107.2 Ų | 107.2 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 177.5 | -165.5 | -178.2 | -68.4 | 177.3 | -4.2 | 111.2 | K168 K169 Y170 M174 R175 E176 | K168-R172 WeakPolarHBondContact O-CB 3.17Å; K168-R172 PolarHBondContact O-N 2.92Å; K169-R172 PolarHBondContact O-N 2.83Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.79Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 3.33Å; R172-R175 PolarHBondContact O-N 2.8Å; R172-E176 WeakPolarHBondContact O-CB 3.33Å; R172-E176 WeakPolarHBondContact O-CG 3.26Å; R172-E176 PolarHBondContact O-N 3.15Å |
| 173 | S | 68.6 | Low | 64.8 | Low | 49 Ų | 49 | 108.4 Ų | 108.4 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | 175.5 | 65.5 | 0 | 0 | 0 | 0 | 113 | K169 Y170 T177 | K169-S173 PolarHBondContact O-N 2.89Å; K169-S173 PolarHBondContact O-OG 2.91Å; Y170-S173 WeakPolarHBondContact CA-OG 3.37Å; Y170-S173 PolarHBondContact O-N 2.78Å; Y170-S173 PolarHBondContact O-OG 2.84Å; S173-T177 WeakPolarHBondContact O-CB 3.48Å; S173-T177 PolarHBondContact O-N 3.18Å; S173-T177 PolarHBondContact O-OG1 2.62Å |
| 174 | M | 61.8 | Low | 63.5 | Low | 35 Ų | 35 | 115.6 Ų | 115.6 | 17% | 0.172 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -68.1 | -46.8 | 174.7 | -83 | -152.9 | 63.9 | 0 | 0 | 112.2 | Y170 Q171 R172 E176 T177 E178 R191 | Y170-M174 HydrophobicContact CD1-CG 4.31Å; Y170-M174 HydrophobicContact CD1-SD 4.23Å; Y170-M174 HydrophobicContact CE1-CG 3.92Å; Y170-M174 HydrophobicContact CE1-SD 3.42Å; Y170-M174 WeakPolarHBondContact CE1-SD 3.25Å; Y170-M174 HydrophobicContact CE2-CG 4.38Å; Y170-M174 WeakPolarHBondContact O-CB 3.36Å; Y170-M174 WeakPolarHBondContact O-CG 3.47Å; Y170-M174 PolarHBondContact O-N 3.46Å; Q171-M174 PolarHBondContact O-N 2.82Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 3.33Å; M174-E176 VanDerWaalsContact C-N 3.28Å; M174-E176 PolarHBondContact O-N 2.92Å; M174-T177 CarbonylContact O-C 3.47Å; M174-T177 WeakPolarHBondContact O-CA 3.45Å; M174-T177 WeakPolarHBondContact O-CB 3.4Å; M174-T177 PolarHBondContact O-N 2.75Å; M174-E178 PolarHBondContact O-N 2.89Å; M174-R191 PolarHBondContact SD-NH2 3.04Å |
| 175 | R | 65.2 | Low | 62.3 | Low | 198 Ų | 198 | 124.2 Ų | 124.2 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 178.3 | -165.2 | 174.2 | -178.4 | 168.4 | 0.4 | 111.4 | Q171 R172 T177 S179 | Q171-R175 WeakPolarHBondContact O-CB 3.45Å; Q171-R175 PolarHBondContact O-N 2.99Å; R172-R175 PolarHBondContact O-N 2.8Å; R175-T177 VanDerWaalsContact C-N 3.33Å; R175-S179 VanDerWaalsContact O-CB 3.29Å; R175-S179 WeakPolarHBondContact O-CB 3.18Å; R175-S179 PolarHBondContact O-N 2.96Å; R175-S179 PolarHBondContact O-OG 2.88Å |
| 176 | E | 61.9 | Low | 60.8 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.9 | -37.3 | 171.5 | -74.4 | 168.5 | -168.5 | 0 | 0 | 112 | R172 M174 S179 R180 | R172-E176 WeakPolarHBondContact O-CB 3.33Å; R172-E176 WeakPolarHBondContact O-CG 3.26Å; R172-E176 PolarHBondContact O-N 3.15Å; M174-E176 VanDerWaalsContact C-N 3.28Å; M174-E176 PolarHBondContact O-N 2.92Å; E176-S179 WeakPolarHBondContact CA-OG 3.35Å; E176-S179 PolarHBondContact O-OG 2.59Å; E176-R180 WeakPolarHBondContact O-CG 3.29Å; E176-R180 PolarHBondContact O-N 3.15Å |
| 177 | T | 60.6 | Low | 59.2 | Low | 86 Ų | 86 | 128.4 Ų | 128.4 | 53% | 0.528 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74 | -41 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | S173 M174 R175 R180 F181 | S173-T177 WeakPolarHBondContact O-CB 3.48Å; S173-T177 PolarHBondContact O-N 3.18Å; S173-T177 PolarHBondContact O-OG1 2.62Å; M174-T177 CarbonylContact O-C 3.47Å; M174-T177 WeakPolarHBondContact O-CA 3.45Å; M174-T177 WeakPolarHBondContact O-CB 3.4Å; M174-T177 PolarHBondContact O-N 2.75Å; R175-T177 VanDerWaalsContact C-N 3.33Å; T177-R180 PolarHBondContact O-N 3.45Å; T177-F181 PolarHBondContact O-N 2.68Å |
| 178 | E | 58.9 | Low | 58.1 | Low | 106 Ų | 106 | 130.9 Ų | 130.9 | 50% | 0.495 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.1 | -35.6 | 173.6 | -77.1 | 174.4 | 179.2 | 0 | 0 | 111.9 | M174 R180 F181 | M174-E178 PolarHBondContact O-N 2.89Å; E178-R180 VanDerWaalsContact C-N 3.28Å; E178-R180 PolarHBondContact O-N 3.31Å; E178-F181 CarbonylContact O-C 3.44Å |
| 179 | S | 55.8 | Low | 56.6 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.6 | -23.5 | 173.5 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | R175 E176 | R175-S179 VanDerWaalsContact O-CB 3.29Å; R175-S179 WeakPolarHBondContact O-CB 3.18Å; R175-S179 PolarHBondContact O-N 2.96Å; R175-S179 PolarHBondContact O-OG 2.88Å; E176-S179 WeakPolarHBondContact CA-OG 3.35Å; E176-S179 PolarHBondContact O-OG 2.59Å |
| 180 | R | 55.4 | Low | 55 | Low | 198 Ų | 198 | 134.1 Ų | 134.1 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90 | -25.8 | 177.3 | -76.6 | -177.6 | -175.1 | -177.2 | 2.2 | 113.2 | E176 T177 E178 | E176-R180 WeakPolarHBondContact O-CG 3.29Å; E176-R180 PolarHBondContact O-N 3.15Å; T177-R180 PolarHBondContact O-N 3.45Å; E178-R180 VanDerWaalsContact C-N 3.28Å; E178-R180 PolarHBondContact O-N 3.31Å |
| 181 | F | 52.2 | Low | 54 | Low | 145 Ų | 145 | 133.2 Ų | 133.2 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -138.4 | 117.6 | -179.1 | -66.2 | -81 | 0 | 0 | 0 | 109.8 | T177 E178 Y183 | T177-F181 PolarHBondContact O-N 2.68Å; E178-F181 CarbonylContact O-C 3.44Å; F181-Y183 PolarHBondContact O-N 3.39Å |
| 182 | N | 49.1 | Very low | 53.4 | Low | 178 Ų | 178 | 132.7 Ų | 132.7 | 95% | 0.952 | 63% | 0.632 | S | S | * | * | trans | -71.8 | 44.8 | -175.1 | -128.9 | 6.5 | 0 | 0 | 0 | 113.3 | ||||
| 183 | Y | 48.5 | Very low | 52.5 | Low | 175 Ų | 175 | 130.1 Ų | 130.1 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | trans | -104.5 | 102.5 | -172.9 | -157.1 | -89 | 0 | 0 | 0 | 111 | F181 R185 | F181-Y183 PolarHBondContact O-N 3.39Å; Y183-R185 HydrophobicContact CD1-CB 4.12Å; Y183-R185 HydrophobicContact CD1-CG 4.4Å; Y183-R185 HydrophobicContact CE1-CB 4.28Å; Y183-R185 HydrophobicContact CE1-CG 4.11Å; Y183-R185 PolarHBondContact O-N 3.04Å | ||
| 184 | K | 46 | Very low | 51.8 | Low | 210 Ų | 210 | 136.9 Ų | 136.9 | 91% | 0.913 | 64% | 0.64 | S | S | * | * | trans | -73.4 | 103.9 | 168.4 | -82.1 | -177.6 | 176.6 | 177.5 | 0 | 109.4 | ||||
| 185 | R | 45.7 | Very low | 51.6 | Low | 213 Ų | 213 | 137.6 Ų | 137.6 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -96.5 | 113.5 | 174.2 | -150.2 | 171.9 | -169.3 | 175.6 | 3.7 | 110.6 | Y183 N187 | Y183-R185 HydrophobicContact CD1-CB 4.12Å; Y183-R185 HydrophobicContact CD1-CG 4.4Å; Y183-R185 HydrophobicContact CE1-CB 4.28Å; Y183-R185 HydrophobicContact CE1-CG 4.11Å; Y183-R185 PolarHBondContact O-N 3.04Å; R185-N187 PolarHBondContact O-N 3.45Å | ||
| 186 | S | 45.5 | Very low | 51.1 | Low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | trans | -76.4 | 108.7 | 171.5 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 187 | N | 42.2 | Very low | 51.1 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | trans | -173.6 | 91.4 | 151.8 | -106.7 | -19.9 | 0 | 0 | 0 | 110.2 | R185 | R185-N187 PolarHBondContact O-N 3.45Š| ||
| 188 | S | 50.3 | Low | 51.1 | Low | 74 Ų | 74 | 132.1 Ų | 132.1 | 52% | 0.517 | 62% | 0.616 | S | S | . | * | trans | -103.9 | -14.8 | -165.5 | -173.5 | 0 | 0 | 0 | 0 | 114.7 | N192 | S188-N192 PolarHBondContact O-N 3.05Å; S188-N192 PolarHBondContact O-ND2 2.92Å; S188-N192 PolarHBondContact O-OD1 2.88Å; S188-N192 PolarHBondContact OG-ND2 3.12Å | ||
| 189 | M | 39.6 | Very low | 51 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.3 | -43.8 | -164.7 | -156.2 | 161.1 | 78.4 | 0 | 0 | 114.7 | ||
| 190 | N | 43.1 | Very low | 51 | Low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.6 | -24.3 | 178.8 | -103.8 | -17.3 | 0 | 0 | 0 | 113.7 | ||
| 191 | R | 48.6 | Very low | 51.1 | Low | 108 Ų | 108 | 124.6 Ų | 124.6 | 41% | 0.408 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.6 | -40.7 | 177.6 | -107.9 | 167.2 | 78.7 | -176.5 | -0.1 | 111.9 | M174 W193 Q195 | M174-R191 PolarHBondContact SD-NH2 3.04Å; R191-W193 VanDerWaalsContact C-N 3.26Å; R191-W193 PolarHBondContact O-N 2.89Å; R191-Q195 PolarHBondContact O-N 3.03Å |
| 192 | N | 54.2 | Low | 51.3 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 33% | 0.326 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.9 | -25.5 | 179.2 | -69 | -5.1 | 0 | 0 | 0 | 112.5 | S188 R196 | S188-N192 PolarHBondContact O-N 3.05Å; S188-N192 PolarHBondContact O-ND2 2.92Å; S188-N192 PolarHBondContact O-OD1 2.88Å; S188-N192 PolarHBondContact OG-ND2 3.12Å; N192-R196 WeakPolarHBondContact O-CB 3.36Å; N192-R196 WeakPolarHBondContact O-CG 3.49Å; N192-R196 PolarHBondContact O-N 3.45Å; N192-R196 PolarHBondContact O-NE 3.32Å |
| 193 | W | 48.7 | Very low | 51.6 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 47% | 0.47 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | -179.8 | -176.1 | 91.7 | 0 | 0 | 0 | 112.9 | R191 R196 K197 | R191-W193 VanDerWaalsContact C-N 3.26Å; R191-W193 PolarHBondContact O-N 2.89Å; W193-R196 PolarHBondContact O-N 3.4Å; W193-K197 HydrophobicContact CH2-CD 3.61Å; W193-K197 HydrophobicContact CZ2-CD 4.02Å; W193-K197 HydrophobicContact CZ3-CD 3.92Å; W193-K197 VanDerWaalsContact O-CB 3.32Å; W193-K197 WeakPolarHBondContact O-CB 3.33Å; W193-K197 PolarHBondContact O-N 2.99Å |
| 194 | R | 53.9 | Low | 51.8 | Low | 191 Ų | 191 | 110.6 Ų | 110.6 | 72% | 0.721 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 177.3 | -73.4 | -175.8 | 178.2 | -177 | -0.7 | 111.7 | K197 V198 | R194-K197 PolarHBondContact O-N 2.98Å; R194-V198 WeakPolarHBondContact O-CG2 3Å; R194-V198 PolarHBondContact O-N 3.07Å |
| 195 | Q | 57.4 | Low | 52.2 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 24% | 0.238 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 174.3 | -70.6 | 172.6 | -32.4 | 0 | 0 | 111.4 | M167 R191 K197 V198 M199 | M167-Q195 HydrophobicContact SD-CB 4.47Å; M167-Q195 HydrophobicContact SD-CG 4.19Å; R191-Q195 PolarHBondContact O-N 3.03Å; Q195-K197 VanDerWaalsContact C-N 3.3Å; Q195-K197 PolarHBondContact O-N 3.05Å; Q195-V198 PolarHBondContact O-N 3.29Å; Q195-M199 PolarHBondContact O-N 3.33Å |
| 196 | R | 55.8 | Low | 52.5 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 174.5 | -75.7 | -179.9 | -70.2 | -178.9 | -2 | 112.1 | N192 W193 M199 R200 | N192-R196 WeakPolarHBondContact O-CB 3.36Å; N192-R196 WeakPolarHBondContact O-CG 3.49Å; N192-R196 PolarHBondContact O-N 3.45Å; N192-R196 PolarHBondContact O-NE 3.32Å; W193-R196 PolarHBondContact O-N 3.4Å; R196-M199 PolarHBondContact O-N 2.93Å; R196-R200 WeakPolarHBondContact O-CB 3.43Å; R196-R200 VanDerWaalsContact O-CG 3.26Å; R196-R200 WeakPolarHBondContact O-CG 3.27Å; R196-R200 PolarHBondContact O-N 3.2Å |
| 197 | K | 61.9 | Low | 52.5 | Low | 117 Ų | 117 | 89 Ų | 89 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.9 | -173.2 | 173.3 | -178.7 | 174.9 | 0 | 112.6 | W193 R194 Q195 R200 A201 | W193-K197 HydrophobicContact CH2-CD 3.61Å; W193-K197 HydrophobicContact CZ2-CD 4.02Å; W193-K197 HydrophobicContact CZ3-CD 3.92Å; W193-K197 VanDerWaalsContact O-CB 3.32Å; W193-K197 WeakPolarHBondContact O-CB 3.33Å; W193-K197 PolarHBondContact O-N 2.99Å; R194-K197 PolarHBondContact O-N 2.98Å; Q195-K197 VanDerWaalsContact C-N 3.3Å; Q195-K197 PolarHBondContact O-N 3.05Å; K197-R200 PolarHBondContact O-N 3.3Å; K197-A201 WeakPolarHBondContact O-CB 3.37Å; K197-A201 PolarHBondContact O-N 3.04Å |
| 198 | V | 60.1 | Low | 52.9 | Low | 32 Ų | 32 | 88.3 Ų | 88.3 | 19% | 0.194 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | M167 R194 Q195 Y202 | M167-V198 HydrophobicContact SD-CG1 4.46Å; R194-V198 WeakPolarHBondContact O-CG2 3Å; R194-V198 PolarHBondContact O-N 3.07Å; Q195-V198 PolarHBondContact O-N 3.29Å; V198-Y202 WeakPolarHBondContact O-CB 3.39Å; V198-Y202 PolarHBondContact O-N 3.44Å |
| 199 | M | 56.7 | Low | 53 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.1 | -79.1 | -166.3 | 161.2 | 0 | 0 | 113 | Q195 R196 Y202 Q203 | Q195-M199 PolarHBondContact O-N 3.33Å; R196-M199 PolarHBondContact O-N 2.93Å; M199-Y202 WeakPolarHBondContact O-CB 3.39Å; M199-Y202 PolarHBondContact O-N 2.87Å; M199-Q203 WeakPolarHBondContact O-CB 3.46Å; M199-Q203 PolarHBondContact O-N 3.24Å |
| 200 | R | 55.6 | Low | 53.3 | Low | 114 Ų | 114 | 80 Ų | 80 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 174.3 | -74.4 | -177.2 | -138.1 | 140 | -4.8 | 112.4 | R196 K197 Y202 Q203 D204 | R196-R200 WeakPolarHBondContact O-CB 3.43Å; R196-R200 VanDerWaalsContact O-CG 3.26Å; R196-R200 WeakPolarHBondContact O-CG 3.27Å; R196-R200 PolarHBondContact O-N 3.2Å; K197-R200 PolarHBondContact O-N 3.3Å; R200-Y202 VanDerWaalsContact C-N 3.26Å; R200-Y202 PolarHBondContact O-N 3.36Å; R200-Q203 WeakPolarHBondContact O-CA 3.49Å; R200-Q203 VanDerWaalsContact O-CB 3.28Å; R200-Q203 WeakPolarHBondContact O-CB 3.48Å; R200-Q203 PolarHBondContact O-N 3.46Å; R200-D204 PolarHBondContact O-N 2.87Å |
| 201 | A | 58.3 | Low | 53.5 | Low | 50 Ų | 50 | 81.4 Ų | 81.4 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -32.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A160 K197 S205 | A160-A201 HydrophobicContact CB-CB 4.48Å; K197-A201 WeakPolarHBondContact O-CB 3.37Å; K197-A201 PolarHBondContact O-N 3.04Å; A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.06Å |
| 202 | Y | 56.9 | Low | 53.2 | Low | 53 Ų | 53 | 80.7 Ų | 80.7 | 21% | 0.208 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 169.6 | 174.4 | -99.5 | 0 | 0 | 0 | 111.4 | V198 M199 R200 S205 W206 | V198-Y202 WeakPolarHBondContact O-CB 3.39Å; V198-Y202 PolarHBondContact O-N 3.44Å; M199-Y202 WeakPolarHBondContact O-CB 3.39Å; M199-Y202 PolarHBondContact O-N 2.87Å; R200-Y202 VanDerWaalsContact C-N 3.26Å; R200-Y202 PolarHBondContact O-N 3.36Å; Y202-S205 WeakPolarHBondContact O-CB 3.43Å; Y202-S205 PolarHBondContact O-N 3.12Å; Y202-W206 WeakPolarHBondContact O-CB 3.37Å; Y202-W206 PolarHBondContact O-N 2.9Å |
| 203 | Q | 54 | Low | 52.5 | Low | 40 Ų | 40 | 80.7 Ų | 80.7 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 177.6 | -170.7 | 177.2 | -5.7 | 0 | 0 | 112.5 | M199 R200 S205 W206 D207 | M199-Q203 WeakPolarHBondContact O-CB 3.46Å; M199-Q203 PolarHBondContact O-N 3.24Å; R200-Q203 WeakPolarHBondContact O-CA 3.49Å; R200-Q203 VanDerWaalsContact O-CB 3.28Å; R200-Q203 WeakPolarHBondContact O-CB 3.48Å; R200-Q203 PolarHBondContact O-N 3.46Å; Q203-S205 VanDerWaalsContact C-N 3.3Å; Q203-S205 PolarHBondContact O-N 3Å; Q203-W206 WeakPolarHBondContact O-CB 3.43Å; Q203-W206 PolarHBondContact O-N 3.17Å; Q203-W206 VanDerWaalsContact O-N 3.07Å; Q203-D207 PolarHBondContact O-N 3.43Å |
| 204 | D | 53.7 | Low | 52.3 | Low | 111 Ų | 111 | 77.6 Ų | 77.6 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.5 | -36.2 | 178.3 | -63.4 | -25.3 | 0 | 0 | 0 | 111.9 | R200 W206 H208 | R200-D204 PolarHBondContact O-N 2.87Å; D204-W206 VanDerWaalsContact C-N 3.32Å; D204-H208 WeakPolarHBondContact O-CB 3.47Å; D204-H208 PolarHBondContact O-N 3.24Å |
| 205 | S | 54.4 | Low | 51.6 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | A201 Y202 Q203 R209 | A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.06Å; Y202-S205 WeakPolarHBondContact O-CB 3.43Å; Y202-S205 PolarHBondContact O-N 3.12Å; Q203-S205 VanDerWaalsContact C-N 3.3Å; Q203-S205 PolarHBondContact O-N 3Å; S205-R209 WeakPolarHBondContact O-CB 3.49Å; S205-R209 WeakPolarHBondContact O-CD 3.33Å; S205-R209 WeakPolarHBondContact O-CG 3.13Å; S205-R209 PolarHBondContact O-NE 2.98Å; S205-R209 PolarHBondContact OG-NE 3.49Å; S205-R209 PolarHBondContact OG-NH1 3.29Å |
| 206 | W | 51 | Low | 50.6 | Low | 22 Ų | 22 | 76.6 Ų | 76.6 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.4 | -45.6 | -179.9 | -174.9 | 76.6 | 0 | 0 | 0 | 112.2 | Y202 Q203 D204 R209 C210 R232 S235 P245 | Y202-W206 WeakPolarHBondContact O-CB 3.37Å; Y202-W206 PolarHBondContact O-N 2.9Å; Q203-W206 WeakPolarHBondContact O-CB 3.43Å; Q203-W206 PolarHBondContact O-N 3.17Å; Q203-W206 VanDerWaalsContact O-N 3.07Å; D204-W206 VanDerWaalsContact C-N 3.32Å; W206-R209 PolarHBondContact O-N 2.94Å; W206-C210 PolarHBondContact O-N 3.41Å; W206-C210 VanDerWaalsContact O-N 3.16Å; W206-C210 PolarHBondContact O-SG 3.11Å; W206-C210 VanDerWaalsContact O-SG 3.39Å; W206-R232 HydrophobicContact CH2-CB 4.38Å; W206-R232 WeakPolarHBondContact CH2-O 3.42Å; W206-R232 WeakPolarHBondContact CZ3-O 3.23Å; W206-S235 VanDerWaalsContact CZ2-OG 3.26Å; W206-S235 WeakPolarHBondContact CZ2-OG 3.47Å; W206-P245 HydrophobicContact CZ2-CG 4.23Å |
| 207 | D | 45.9 | Very low | 49.6 | Very low | 41 Ų | 41 | 76.1 Ų | 76.1 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | -179.6 | -98.4 | -1.5 | 0 | 0 | 0 | 113.4 | Q203 K410 | Q203-D207 PolarHBondContact O-N 3.43Å; D207-K410 IonicContact OD2-NZ 3.51Å; D207-K410 PolarHBondContact OD2-NZ 2.64Å |
| 208 | H | 51 | Low | 48.2 | Very low | 136 Ų | 136 | 72.8 Ų | 72.8 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.9 | -29.6 | -178.5 | -166 | 75.5 | 0 | 0 | 0 | 112.6 | D204 | D204-H208 WeakPolarHBondContact O-CB 3.47Å; D204-H208 PolarHBondContact O-N 3.24Å |
| 209 | R | 52.7 | Low | 46.9 | Very low | 54 Ų | 54 | 77 Ų | 77 | 20% | 0.204 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -97.1 | -27.3 | -169 | -62.8 | 175.7 | -163.4 | -165.8 | -3 | 113.3 | F157 S205 W206 R211 L212 L213 | F157-R209 PolarHBondContact O-NH1 2.98Å; S205-R209 WeakPolarHBondContact O-CB 3.49Å; S205-R209 WeakPolarHBondContact O-CD 3.33Å; S205-R209 WeakPolarHBondContact O-CG 3.13Å; S205-R209 PolarHBondContact O-NE 2.98Å; S205-R209 PolarHBondContact OG-NE 3.49Å; S205-R209 PolarHBondContact OG-NH1 3.29Å; W206-R209 PolarHBondContact O-N 2.94Å; R209-R211 PolarHBondContact O-N 3.14Å; R209-L212 PolarHBondContact O-N 3.06Å; R209-L213 PolarHBondContact O-N 3.48Å |
| 210 | C | 45.2 | Very low | 46 | Very low | 11 Ų | 11 | 77.8 Ų | 77.8 | 7% | 0.074 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.5 | -21.7 | 166.6 | -74.1 | 0 | 0 | 0 | 0 | 112.8 | W206 F214 R232 | W206-C210 PolarHBondContact O-N 3.41Å; W206-C210 VanDerWaalsContact O-N 3.16Å; W206-C210 PolarHBondContact O-SG 3.11Å; W206-C210 VanDerWaalsContact O-SG 3.39Å; C210-F214 WeakPolarHBondContact O-CD2 3.41Å; C210-R232 HydrophobicContact CB-CG 4.17Å; C210-R232 PolarHBondContact O-NH2 2.81Å |
| 211 | R | 47.1 | Very low | 45.2 | Very low | 177 Ų | 177 | 78.3 Ų | 78.3 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72.1 | -35.2 | 169.7 | -68.8 | -177.9 | -163.2 | -123 | 0.2 | 112.3 | R209 C215 | R209-R211 PolarHBondContact O-N 3.14Å; R211-C215 PolarHBondContact O-SG 3.18Å |
| 212 | L | 42 | Very low | 44.5 | Very low | 93 Ų | 93 | 82.5 Ų | 82.5 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -88.9 | -45.2 | -173.1 | -133.9 | 94.6 | 0 | 0 | 0 | 113.5 | C155 R209 F214 C215 | C155-L212 VanDerWaalsContact SG-CD2 3.52Å; R209-L212 PolarHBondContact O-N 3.06Å; L212-F214 PolarHBondContact O-N 3.24Å; L212-C215 PolarHBondContact O-N 3.16Å |
| 213 | L | 40.5 | Very low | 43.9 | Very low | 61 Ų | 61 | 83.4 Ų | 83.4 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -27.8 | -178.7 | -80.3 | 165.8 | 0 | 0 | 0 | 113.3 | C155 T156 R209 | C155-L213 HydrophobicContact CB-CD1 4.31Å; C155-L213 HydrophobicContact CB-CD2 3.37Å; C155-L213 HydrophobicContact CB-CG 3.66Å; T156-L213 HydrophobicContact CG2-CD1 4.47Å; T156-L213 HydrophobicContact CG2-CD2 4.12Å; R209-L213 PolarHBondContact O-N 3.48Å |
| 214 | F | 44.2 | Very low | 43.5 | Very low | 59 Ų | 59 | 87.4 Ų | 87.4 | 26% | 0.259 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 3.4 | -177.2 | -65.7 | -76.2 | 0 | 0 | 0 | 113.6 | C210 L212 C216 M217 T228 | C210-F214 WeakPolarHBondContact O-CD2 3.41Å; L212-F214 PolarHBondContact O-N 3.24Å; F214-C216 PolarHBondContact O-N 3.42Å; F214-M217 HydrophobicContact CD1-CE 4.28Å; F214-M217 HydrophobicContact CD1-SD 3.65Å; F214-M217 HydrophobicContact CE1-SD 3.91Å; F214-M217 PolarHBondContact O-N 3.23Å; F214-T228 HydrophobicContact CB-CG2 4.36Å; F214-T228 HydrophobicContact CD1-CG2 4.15Å; F214-T228 HydrophobicContact CD2-CG2 4.19Å; F214-T228 HydrophobicContact CG-CG2 3.97Å |
| 215 | C | 38.8 | Very low | 43.5 | Very low | 98 Ų | 98 | 85.2 Ų | 85.2 | 66% | 0.662 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.5 | 172.1 | -94.1 | 0 | 0 | 0 | 0 | 112.7 | R211 L212 | R211-C215 PolarHBondContact O-SG 3.18Å; L212-C215 PolarHBondContact O-N 3.16Å |
| 216 | C | 36.8 | Very low | 43.5 | Very low | 124 Ų | 124 | 84.8 Ų | 84.8 | 84% | 0.838 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -8.3 | -179 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | F214 G218 | F214-C216 PolarHBondContact O-N 3.42Å; C216-G218 PolarHBondContact O-N 3.25Å |
| 217 | M | 35.9 | Very low | 44 | Very low | 112 Ų | 112 | 84.4 Ų | 84.4 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -80.6 | 79 | 165.3 | -87.9 | 179 | 47.5 | 0 | 0 | 108.5 | F214 | F214-M217 HydrophobicContact CD1-CE 4.28Å; F214-M217 HydrophobicContact CD1-SD 3.65Å; F214-M217 HydrophobicContact CE1-SD 3.91Å; F214-M217 PolarHBondContact O-N 3.23Å |
| 218 | G | 32.1 | Very low | 44.6 | Very low | 47 Ų | 47 | 83.2 Ų | 83.2 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | trans | 28 | 104.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | C216 S220 | C216-G218 PolarHBondContact O-N 3.25Å; G218-S220 PolarHBondContact O-N 2.88Å | ||
| 219 | S | 31.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 79.3 Ų | 79.3 | 84% | 0.839 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -65.6 | 5.3 | 162 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 220 | S | 38 | Very low | 45.3 | Very low | 94 Ų | 94 | 77.1 Ų | 77.1 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -90.9 | 112.4 | 176.1 | -176 | 0 | 0 | 0 | 0 | 109.9 | G218 | G218-S220 PolarHBondContact O-N 2.88Š|
| 221 | E | 39.2 | Very low | 46 | Very low | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | trans | 85.8 | 97.2 | 179 | -59.2 | -119.1 | 149.7 | 0 | 0 | 116 | N223 R224 | E221-N223 PolarHBondContact O-N 2.87Å; E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 VanDerWaalsContact O-N 3.1Å | ||
| 222 | R | 42.5 | Very low | 46.6 | Very low | 137 Ų | 137 | 71.7 Ų | 71.7 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -12 | 171.3 | -134.1 | 173 | -176.6 | -170.8 | -4.2 | 114.9 | Q667 | R222-Q667 PolarHBondContact O-NE2 2.88Š|
| 223 | N | 44.3 | Very low | 47.3 | Very low | 72 Ų | 72 | 68.4 Ų | 68.4 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.5 | 177.8 | -69.6 | -14.7 | 0 | 0 | 0 | 114.3 | E221 Q667 | E221-N223 PolarHBondContact O-N 2.87Å; N223-Q667 PolarHBondContact OD1-NE2 3.41Å; N223-Q667 PolarHBondContact OD1-OE1 3.04Å; N223-Q667 VanDerWaalsContact OD1-OE1 3.09Å |
| 224 | R | 46.6 | Very low | 48.2 | Very low | 125 Ų | 125 | 65.7 Ų | 65.7 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -103.3 | -16 | -170.6 | -54.8 | -176.6 | 95.5 | 173.6 | 10.3 | 114.7 | E221 V566 | E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 VanDerWaalsContact O-N 3.1Å; R224-V566 VanDerWaalsContact NH2-C 3.3Å; R224-V566 PolarHBondContact NH2-O 2.93Å |
| 225 | N | 54.3 | Low | 48.8 | Very low | 65 Ų | 65 | 63.8 Ų | 63.8 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -82.7 | -14.4 | -172.7 | -69.3 | 2.5 | 0 | 0 | 0 | 114.3 | F227 T228 D229 | N225-F227 VanDerWaalsContact C-N 3.35Å; N225-F227 PolarHBondContact O-N 2.91Å; N225-T228 PolarHBondContact O-N 3.33Å; N225-T228 VanDerWaalsContact O-N 3.15Å; N225-D229 PolarHBondContact O-N 2.81Å |
| 226 | S | 54.3 | Low | 49.5 | Very low | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | -173.1 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | T228 D229 I230 P663 | S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.84Å; S226-D229 PolarHBondContact O-N 3.49Å; S226-I230 WeakPolarHBondContact O-CB 3.48Å; S226-I230 WeakPolarHBondContact O-CD1 3.35Å; S226-I230 WeakPolarHBondContact O-CG1 3.47Å; S226-I230 PolarHBondContact O-N 2.72Å; S226-P663 WeakPolarHBondContact CB-O 3.47Å; S226-P663 PolarHBondContact OG-O 3Å; S226-P663 VanDerWaalsContact OG-O 3.07Å |
| 227 | F | 60.3 | Low | 50.5 | Low | 15 Ų | 15 | 56.2 Ų | 56.2 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.9 | -71.3 | -68.7 | 0 | 0 | 0 | 113.3 | N225 A231 L252 I661 P663 | N225-F227 VanDerWaalsContact C-N 3.35Å; N225-F227 PolarHBondContact O-N 2.91Å; F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.15Å; F227-A231 PolarHBondContact O-N 3.21Å; F227-L252 HydrophobicContact CD1-CB 4.04Å; F227-L252 HydrophobicContact CD1-CD1 4.45Å; F227-L252 HydrophobicContact CE1-CB 4.38Å; F227-I661 HydrophobicContact CD1-CG2 4.38Å; F227-I661 HydrophobicContact CE1-CG2 3.48Å; F227-I661 VanDerWaalsContact CE1-CG2 3.48Å; F227-I661 HydrophobicContact CZ-CG2 4.28Å; F227-P663 HydrophobicContact CE2-CB 3.87Å; F227-P663 HydrophobicContact CZ-CB 4.48Å |
| 228 | T | 59.4 | Low | 51.5 | Low | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | F214 N225 S226 A231 R232 | F214-T228 HydrophobicContact CB-CG2 4.36Å; F214-T228 HydrophobicContact CD1-CG2 4.15Å; F214-T228 HydrophobicContact CD2-CG2 4.19Å; F214-T228 HydrophobicContact CG-CG2 3.97Å; N225-T228 PolarHBondContact O-N 3.33Å; N225-T228 VanDerWaalsContact O-N 3.15Å; S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.84Å; T228-A231 PolarHBondContact O-N 3.1Å; T228-R232 VanDerWaalsContact O-CG 3.27Å; T228-R232 WeakPolarHBondContact O-CG 3.37Å; T228-R232 PolarHBondContact O-N 2.99Å |
| 229 | D | 56.3 | Low | 52.4 | Low | 54 Ų | 54 | 55.3 Ų | 55.3 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.8 | -64.5 | -32.9 | 0 | 0 | 0 | 111.1 | N225 S226 R232 L233 L666 | N225-D229 PolarHBondContact O-N 2.81Å; S226-D229 PolarHBondContact O-N 3.49Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.09Å; D229-R232 IonicContact OD1-CZ 3.62Å; D229-R232 IonicContact OD1-NH1 3.56Å; D229-R232 PolarHBondContact OD1-NH1 2.77Å; D229-L233 WeakPolarHBondContact O-CB 3.4Å; D229-L233 WeakPolarHBondContact O-CD1 3.37Å; D229-L233 WeakPolarHBondContact O-CG 3.21Å; D229-L233 PolarHBondContact O-N 2.81Å; D229-L666 HydrophobicContact CB-CD1 3.87Å |
| 230 | I | 62.5 | Low | 53.1 | Low | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.4 | -62.5 | 151.1 | 0 | 0 | 0 | 111.3 | S226 R232 L233 L234 L252 M665 L666 | S226-I230 WeakPolarHBondContact O-CB 3.48Å; S226-I230 WeakPolarHBondContact O-CD1 3.35Å; S226-I230 WeakPolarHBondContact O-CG1 3.47Å; S226-I230 PolarHBondContact O-N 2.72Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 2.79Å; I230-L233 CarbonylContact O-C 3.32Å; I230-L233 WeakPolarHBondContact O-CB 3.44Å; I230-L233 PolarHBondContact O-N 2.66Å; I230-L233 VanDerWaalsContact O-N 3.09Å; I230-L234 HydrophobicContact CG2-CD1 3.59Å; I230-L234 HydrophobicContact CG2-CG 3.89Å; I230-L234 WeakPolarHBondContact O-CB 3.23Å; I230-L234 VanDerWaalsContact O-CG 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.46Å; I230-L234 PolarHBondContact O-N 2.8Å; I230-L252 HydrophobicContact CB-CD1 4.12Å; I230-L252 HydrophobicContact CG2-CD1 3.69Å; I230-L252 HydrophobicContact CG2-CD2 4.2Å; I230-M665 HydrophobicContact CD1-CE 3.1Å; I230-M665 HydrophobicContact CD1-CG 3.85Å; I230-M665 HydrophobicContact CD1-SD 3.32Å; I230-M665 WeakPolarHBondContact CD1-SD 3.49Å; I230-M665 HydrophobicContact CG1-CE 3.66Å; I230-M665 HydrophobicContact CG1-SD 4.45Å; I230-M665 HydrophobicContact CG2-CE 4.25Å; I230-L666 HydrophobicContact CG1-CD1 4.35Å; I230-L666 HydrophobicContact CG1-CG 4.47Å |
| 231 | A | 60.1 | Low | 53.9 | Low | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F227 T228 L233 S235 V248 V249 L252 | F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.15Å; F227-A231 PolarHBondContact O-N 3.21Å; T228-A231 PolarHBondContact O-N 3.1Å; A231-L233 VanDerWaalsContact C-N 3.32Å; A231-S235 PolarHBondContact O-N 3.23Å; A231-S235 PolarHBondContact O-OG 3.44Å; A231-V248 HydrophobicContact CB-CB 4.11Å; A231-V248 HydrophobicContact CB-CG1 3.85Å; A231-V249 HydrophobicContact CB-CG2 3.55Å; A231-L252 HydrophobicContact CB-CD1 4.46Å |
| 232 | R | 57.8 | Low | 54.9 | Low | 70 Ų | 70 | 49.1 Ų | 49.1 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 169.7 | -70 | 170.1 | -172.5 | 153.8 | -5.6 | 112.1 | W206 C210 T228 D229 I230 | W206-R232 HydrophobicContact CH2-CB 4.38Å; W206-R232 WeakPolarHBondContact CH2-O 3.42Å; W206-R232 WeakPolarHBondContact CZ3-O 3.23Å; C210-R232 HydrophobicContact CB-CG 4.17Å; C210-R232 PolarHBondContact O-NH2 2.81Å; T228-R232 VanDerWaalsContact O-CG 3.27Å; T228-R232 WeakPolarHBondContact O-CG 3.37Å; T228-R232 PolarHBondContact O-N 2.99Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.09Å; D229-R232 IonicContact OD1-CZ 3.62Å; D229-R232 IonicContact OD1-NH1 3.56Å; D229-R232 PolarHBondContact OD1-NH1 2.77Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 2.79Å |
| 233 | L | 57.1 | Low | 56 | Low | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73 | -44.4 | 178.8 | -70.2 | 164.5 | 0 | 0 | 0 | 111.5 | D229 I230 A231 M409 L413 | D229-L233 WeakPolarHBondContact O-CB 3.4Å; D229-L233 WeakPolarHBondContact O-CD1 3.37Å; D229-L233 WeakPolarHBondContact O-CG 3.21Å; D229-L233 PolarHBondContact O-N 2.81Å; I230-L233 CarbonylContact O-C 3.32Å; I230-L233 WeakPolarHBondContact O-CB 3.44Å; I230-L233 PolarHBondContact O-N 2.66Å; I230-L233 VanDerWaalsContact O-N 3.09Å; A231-L233 VanDerWaalsContact C-N 3.32Å; L233-M409 HydrophobicContact CD1-CB 3.76Å; L233-M409 HydrophobicContact CD1-CE 4.23Å; L233-M409 HydrophobicContact CD1-CG 4.45Å; L233-M409 HydrophobicContact CD2-CB 4.03Å; L233-M409 WeakPolarHBondContact CD2-O 3.49Å; L233-L413 HydrophobicContact CB-CD2 4.08Å; L233-L413 HydrophobicContact CD2-CB 4.35Å; L233-L413 HydrophobicContact CD2-CD2 4.37Å; L233-L413 WeakPolarHBondContact O-CD2 3.31Å |
| 234 | L | 60.3 | Low | 57.3 | Low | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.8 | -25.6 | -175.4 | -67.1 | 178.4 | 0 | 0 | 0 | 113.7 | I230 D236 F237 F238 V248 L252 M540 L543 | I230-L234 HydrophobicContact CG2-CD1 3.59Å; I230-L234 HydrophobicContact CG2-CG 3.89Å; I230-L234 WeakPolarHBondContact O-CB 3.23Å; I230-L234 VanDerWaalsContact O-CG 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.46Å; I230-L234 PolarHBondContact O-N 2.8Å; L234-D236 PolarHBondContact O-N 3.02Å; L234-F237 CarbonylContact O-C 3.11Å; L234-F237 WeakPolarHBondContact O-CA 3.31Å; L234-F237 WeakPolarHBondContact O-CB 3.43Å; L234-F237 PolarHBondContact O-N 3.06Å; L234-F238 HydrophobicContact CB-CD2 3.86Å; L234-F238 HydrophobicContact CB-CE2 3.45Å; L234-F238 VanDerWaalsContact CB-CE2 3.45Å; L234-F238 HydrophobicContact CB-CZ 4.23Å; L234-F238 HydrophobicContact CD1-CE2 4.1Å; L234-F238 HydrophobicContact CD1-CZ 4.46Å; L234-F238 HydrophobicContact CG-CE2 4.27Å; L234-F238 WeakPolarHBondContact O-CB 3.1Å; L234-F238 WeakPolarHBondContact O-CD2 3.42Å; L234-F238 VanDerWaalsContact O-CG 3.26Å; L234-F238 WeakPolarHBondContact O-CG 3.39Å; L234-F238 PolarHBondContact O-N 2.95Å; L234-V248 HydrophobicContact CB-CG1 4.22Å; L234-V248 HydrophobicContact CD1-CG1 4.41Å; L234-L252 HydrophobicContact CD1-CD1 4.35Å; L234-L252 HydrophobicContact CD1-CD2 3.91Å; L234-M540 HydrophobicContact CD2-CE 4.46Å; L234-M540 HydrophobicContact CD2-SD 3.7Å; L234-L543 HydrophobicContact CD1-CD2 3.77Å; L234-L543 HydrophobicContact CD2-CD2 3.7Å; L234-L543 HydrophobicContact CG-CD2 4.39Å |
| 235 | S | 56.8 | Low | 58.2 | Low | 18 Ų | 18 | 36.1 Ų | 36.1 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.2 | -22.8 | 178.5 | -39.1 | 0 | 0 | 0 | 0 | 112.6 | W206 A231 F237 F238 R239 | W206-S235 VanDerWaalsContact CZ2-OG 3.26Å; W206-S235 WeakPolarHBondContact CZ2-OG 3.47Å; A231-S235 PolarHBondContact O-N 3.23Å; A231-S235 PolarHBondContact O-OG 3.44Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F238 CarbonylContact O-C 3.5Å; S235-F238 PolarHBondContact O-N 3.48Å; S235-R239 PolarHBondContact O-N 3.38Å |
| 236 | D | 53.3 | Low | 59.1 | Low | 37 Ų | 37 | 34 Ų | 34 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.4 | -27 | 167.8 | -89.9 | -11.4 | 0 | 0 | 0 | 112.1 | L234 R239 | L234-D236 PolarHBondContact O-N 3.02Å; D236-R239 WeakPolarHBondContact O-CD 3.41Å; D236-R239 WeakPolarHBondContact O-CG 3.47Å |
| 237 | F | 56.7 | Low | 60.3 | Low | 26 Ų | 26 | 33.8 Ų | 33.8 | 11% | 0.114 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -80.8 | -32.1 | 169.9 | -171.8 | -103.9 | 0 | 0 | 0 | 111.7 | L234 S235 R239 M540 E541 R544 L612 | L234-F237 CarbonylContact O-C 3.11Å; L234-F237 WeakPolarHBondContact O-CA 3.31Å; L234-F237 WeakPolarHBondContact O-CB 3.43Å; L234-F237 PolarHBondContact O-N 3.06Å; S235-F237 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.9Å; F237-M540 HydrophobicContact CD1-CB 4.31Å; F237-M540 HydrophobicContact CD2-CB 4.37Å; F237-M540 HydrophobicContact CE1-CB 3.85Å; F237-M540 WeakPolarHBondContact CE1-O 3.29Å; F237-M540 HydrophobicContact CE2-CB 3.91Å; F237-M540 HydrophobicContact CZ-CB 3.64Å; F237-E541 HydrophobicContact CZ-CG 4.22Å; F237-R544 HydrophobicContact CE1-CB 4.12Å; F237-L612 HydrophobicContact CE2-CD1 4.32Å; F237-L612 HydrophobicContact CE2-CD2 4.03Å; F237-L612 HydrophobicContact CZ-CD1 4.32Å; F237-L612 HydrophobicContact CZ-CD2 4.33Å |
| 238 | F | 58.2 | Low | 61.1 | Low | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -85.3 | 21.5 | 177 | -58.3 | -45.3 | 0 | 0 | 0 | 114.2 | L234 S235 E240 L241 V248 R544 L547 | L234-F238 HydrophobicContact CB-CD2 3.86Å; L234-F238 HydrophobicContact CB-CE2 3.45Å; L234-F238 VanDerWaalsContact CB-CE2 3.45Å; L234-F238 HydrophobicContact CB-CZ 4.23Å; L234-F238 HydrophobicContact CD1-CE2 4.1Å; L234-F238 HydrophobicContact CD1-CZ 4.46Å; L234-F238 HydrophobicContact CG-CE2 4.27Å; L234-F238 WeakPolarHBondContact O-CB 3.1Å; L234-F238 WeakPolarHBondContact O-CD2 3.42Å; L234-F238 VanDerWaalsContact O-CG 3.26Å; L234-F238 WeakPolarHBondContact O-CG 3.39Å; L234-F238 PolarHBondContact O-N 2.95Å; S235-F238 CarbonylContact O-C 3.5Å; S235-F238 PolarHBondContact O-N 3.48Å; F238-E240 PolarHBondContact O-N 3.34Å; F238-L241 HydrophobicContact CB-CB 4.33Å; F238-L241 HydrophobicContact CB-CD1 4.08Å; F238-L241 HydrophobicContact CD1-CD1 3.61Å; F238-L241 HydrophobicContact CE1-CD1 4.41Å; F238-L241 HydrophobicContact CG-CD1 4.06Å; F238-L241 PolarHBondContact O-N 3.23Å; F238-V248 HydrophobicContact CD2-CG2 4.11Å; F238-V248 HydrophobicContact CE2-CG1 4.23Å; F238-R544 HydrophobicContact CD1-CB 4.37Å; F238-R544 HydrophobicContact CD1-CG 3.9Å; F238-R544 HydrophobicContact CE1-CB 3.5Å; F238-R544 HydrophobicContact CE1-CG 3.46Å; F238-R544 VanDerWaalsContact CE1-CG 3.46Å; F238-R544 HydrophobicContact CZ-CB 4.34Å; F238-L547 HydrophobicContact CD2-CD2 4.24Å; F238-L547 HydrophobicContact CE2-CD2 3.29Å; F238-L547 HydrophobicContact CZ-CD2 3.5Å |
| 239 | R | 50.3 | Low | 61.9 | Low | 133 Ų | 133 | 33.3 Ų | 33.3 | 50% | 0.502 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -24 | -176.8 | -82.6 | 164.6 | 81.6 | 171.2 | 16.4 | 115.7 | S235 D236 F237 | S235-R239 PolarHBondContact O-N 3.38Å; D236-R239 WeakPolarHBondContact O-CD 3.41Å; D236-R239 WeakPolarHBondContact O-CG 3.47Å; F237-R239 PolarHBondContact O-N 2.9Å |
| 240 | E | 47.3 | Very low | 63 | Low | 114 Ų | 114 | 30.8 Ų | 30.8 | 53% | 0.533 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -21.2 | -179.3 | -59 | -170.7 | 154.9 | 0 | 0 | 113.8 | F238 D242 | F238-E240 PolarHBondContact O-N 3.34Å; E240-D242 PolarHBondContact O-N 3.5Å |
| 241 | L | 54.9 | Low | 64.1 | Low | 50 Ų | 50 | 30.4 Ų | 30.4 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -80.3 | 120.3 | 174.6 | -58.6 | 171.9 | 0 | 0 | 0 | 107.1 | F238 V243 R544 I548 | F238-L241 HydrophobicContact CB-CB 4.33Å; F238-L241 HydrophobicContact CB-CD1 4.08Å; F238-L241 HydrophobicContact CD1-CD1 3.61Å; F238-L241 HydrophobicContact CE1-CD1 4.41Å; F238-L241 HydrophobicContact CG-CD1 4.06Å; F238-L241 PolarHBondContact O-N 3.23Å; L241-V243 HydrophobicContact CB-CB 4.39Å; L241-V243 HydrophobicContact CB-CG2 3.47Å; L241-V243 VanDerWaalsContact CB-CG2 3.47Å; L241-V243 PolarHBondContact O-N 2.79Å; L241-R544 HydrophobicContact CD1-CG 4.31Å; L241-I548 HydrophobicContact CD1-CD1 3.73Å; L241-I548 HydrophobicContact CD1-CG1 4.16Å; L241-I548 HydrophobicContact CD2-CD1 4.2Å |
| 242 | D | 59.7 | Low | 65.2 | Low | 45 Ų | 45 | 30.2 Ų | 30.2 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | trans | -69.9 | 73.2 | 177 | -168.4 | 9.3 | 0 | 0 | 0 | 110.3 | M1 P2 R10 W164 E240 | M1-D242 CarbonylContact C-O 3.52Å; P2-D242 WeakPolarHBondContact CB-OD2 3.44Å; R10-D242 IonicContact CZ-OD1 2.91Å; R10-D242 IonicContact NE-OD1 3.99Å; R10-D242 IonicContact NH1-OD1 2.62Å; R10-D242 PolarHBondContact NH1-OD1 2.97Å; R10-D242 IonicContact NH2-OD1 2.68Å; R10-D242 PolarHBondContact NH2-OD1 3.05Å; W164-D242 WeakPolarHBondContact CH2-OD2 3.41Å; W164-D242 WeakPolarHBondContact CZ2-OD2 3.33Å; E240-D242 PolarHBondContact O-N 3.5Å | ||
| 243 | V | 66.7 | Low | 66.4 | Low | 38 Ų | 38 | 27.2 Ų | 27.2 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | trans | -124.9 | 139.6 | -165.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L241 D247 V248 | L241-V243 HydrophobicContact CB-CB 4.39Å; L241-V243 HydrophobicContact CB-CG2 3.47Å; L241-V243 VanDerWaalsContact CB-CG2 3.47Å; L241-V243 PolarHBondContact O-N 2.79Å; V243-D247 HydrophobicContact CG1-CB 3.52Å; V243-V248 HydrophobicContact CG1-CG2 3.82Å | ||
| 244 | V | 69.8 | Low | 67.8 | Low | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | trans | -91.8 | 146.8 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | S12 D17 S246 D247 | S12-V244 VanDerWaalsContact O-CG1 3.29Å; S12-V244 WeakPolarHBondContact O-CG1 3.21Å; D17-V244 WeakPolarHBondContact OD2-CG1 3.39Å; V244-S246 WeakPolarHBondContact CG1-OG 3.19Å; V244-S246 PolarHBondContact O-N 3.04Å; V244-S246 VanDerWaalsContact O-N 3.07Å; V244-D247 PolarHBondContact N-OD2 3.33Å; V244-D247 WeakPolarHBondContact O-CA 3.21Å; V244-D247 VanDerWaalsContact O-CB 3.23Å; V244-D247 WeakPolarHBondContact O-CB 3.42Å; V244-D247 PolarHBondContact O-N 2.77Å | ||
| 245 | P | 67.3 | Low | 69.1 | Low | 19 Ų | 19 | 25.9 Ų | 25.9 | 12% | 0.123 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.5 | -33.9 | -177.3 | -32.4 | 39.7 | 0 | 0 | 0 | 115.2 | W206 D247 V248 V249 | W206-P245 HydrophobicContact CZ2-CG 4.23Å; P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.28Å; P245-V248 PolarHBondContact O-N 2.97Å; P245-V249 WeakPolarHBondContact O-CG2 3.32Å; P245-V249 PolarHBondContact O-N 3.42Å; P245-V249 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 73.2 | Confident | 70.5 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -31.4 | 175.3 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | D17 V244 A250 K558 | D17-S246 WeakPolarHBondContact OD1-CB 3.4Å; D17-S246 PolarHBondContact OD1-OG 3.39Å; D17-S246 PolarHBondContact OD2-OG 3.32Å; V244-S246 WeakPolarHBondContact CG1-OG 3.19Å; V244-S246 PolarHBondContact O-N 3.04Å; V244-S246 VanDerWaalsContact O-N 3.07Å; S246-A250 WeakPolarHBondContact O-CB 3.22Å; S246-A250 PolarHBondContact O-N 2.95Å; S246-K558 PolarHBondContact OG-NZ 2.99Å |
| 247 | D | 78.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 174.9 | -56.7 | -25.5 | 0 | 0 | 0 | 111 | M1 V243 V244 P245 A250 G251 K558 | M1-D247 PolarHBondContact N-OD2 3.15Å; V243-D247 HydrophobicContact CG1-CB 3.52Å; V244-D247 PolarHBondContact N-OD2 3.33Å; V244-D247 WeakPolarHBondContact O-CA 3.21Å; V244-D247 VanDerWaalsContact O-CB 3.23Å; V244-D247 WeakPolarHBondContact O-CB 3.42Å; V244-D247 PolarHBondContact O-N 2.77Å; P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.28Å; D247-A250 PolarHBondContact O-N 3.2Å; D247-G251 PolarHBondContact O-N 2.9Å; D247-K558 WeakPolarHBondContact OD1-CD 3.24Å; D247-K558 WeakPolarHBondContact OD1-CE 3.5Å; D247-K558 IonicContact OD1-NZ 3.67Å; D247-K558 PolarHBondContact OD1-NZ 3.37Å |
| 248 | V | 76.8 | Confident | 73.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 110 | A231 L234 F238 V243 P245 G251 L252 L547 | A231-V248 HydrophobicContact CB-CB 4.11Å; A231-V248 HydrophobicContact CB-CG1 3.85Å; L234-V248 HydrophobicContact CB-CG1 4.22Å; L234-V248 HydrophobicContact CD1-CG1 4.41Å; F238-V248 HydrophobicContact CD2-CG2 4.11Å; F238-V248 HydrophobicContact CE2-CG1 4.23Å; V243-V248 HydrophobicContact CG1-CG2 3.82Å; P245-V248 PolarHBondContact O-N 2.97Å; V248-G251 PolarHBondContact O-N 3.25Å; V248-L252 HydrophobicContact CG1-CD1 4.1Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CB 3.36Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.88Å; V248-L547 HydrophobicContact CG1-CD2 4.16Å |
| 249 | V | 76.6 | Confident | 75 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A231 P245 G251 L252 V253 I562 | A231-V249 HydrophobicContact CB-CG2 3.55Å; P245-V249 WeakPolarHBondContact O-CG2 3.32Å; P245-V249 PolarHBondContact O-N 3.42Å; P245-V249 VanDerWaalsContact O-N 3.1Å; V249-G251 VanDerWaalsContact C-N 3.33Å; V249-G251 PolarHBondContact O-N 3.14Å; V249-L252 PolarHBondContact O-N 3.42Å; V249-V253 WeakPolarHBondContact O-CG2 3.42Å; V249-V253 PolarHBondContact O-N 2.98Å; V249-I562 HydrophobicContact CG1-CD1 4.45Å; V249-I562 HydrophobicContact CG1-CG1 4.37Å |
| 250 | A | 80.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I85 S246 D247 V253 L254 K558 T561 I562 | I85-A250 HydrophobicContact CD1-CB 3.91Å; S246-A250 WeakPolarHBondContact O-CB 3.22Å; S246-A250 PolarHBondContact O-N 2.95Å; D247-A250 PolarHBondContact O-N 3.2Å; A250-V253 PolarHBondContact O-N 2.79Å; A250-L254 WeakPolarHBondContact O-CG 3.48Å; A250-L254 PolarHBondContact O-N 2.72Å; A250-K558 HydrophobicContact CB-CD 4.43Å; A250-K558 HydrophobicContact CB-CG 3.94Å; A250-T561 HydrophobicContact CB-CG2 4.21Å; A250-I562 HydrophobicContact CB-CD1 4.25Å; A250-I562 HydrophobicContact CB-CG1 4.09Å |
| 251 | G | 84.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D247 V248 V249 V253 L254 L255 | D247-G251 PolarHBondContact O-N 2.9Å; V248-G251 PolarHBondContact O-N 3.25Å; V249-G251 VanDerWaalsContact C-N 3.33Å; V249-G251 PolarHBondContact O-N 3.14Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 3.11Å; G251-L254 PolarHBondContact O-N 2.84Å; G251-L255 VanDerWaalsContact O-CB 3.26Å; G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.47Å |
| 252 | L | 83.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.7 | -71.5 | 169.1 | 0 | 0 | 0 | 111.5 | F227 I230 A231 L234 V248 V249 R256 L547 I661 | F227-L252 HydrophobicContact CD1-CB 4.04Å; F227-L252 HydrophobicContact CD1-CD1 4.45Å; F227-L252 HydrophobicContact CE1-CB 4.38Å; I230-L252 HydrophobicContact CB-CD1 4.12Å; I230-L252 HydrophobicContact CG2-CD1 3.69Å; I230-L252 HydrophobicContact CG2-CD2 4.2Å; A231-L252 HydrophobicContact CB-CD1 4.46Å; L234-L252 HydrophobicContact CD1-CD1 4.35Å; L234-L252 HydrophobicContact CD1-CD2 3.91Å; V248-L252 HydrophobicContact CG1-CD1 4.1Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CB 3.36Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.88Å; V249-L252 PolarHBondContact O-N 3.42Å; L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 PolarHBondContact O-N 2.97Å; L252-L547 HydrophobicContact CD2-CD1 4.16Å; L252-L547 HydrophobicContact CG-CD1 4.1Å; L252-L547 VanDerWaalsContact N-CD1 3.35Å; L252-I661 HydrophobicContact CB-CG2 4.37Å; L252-I661 HydrophobicContact CD2-CD1 3.74Å; L252-I661 HydrophobicContact CD2-CG1 4.28Å; L252-I661 HydrophobicContact CD2-CG2 4.38Å; L252-I661 WeakPolarHBondContact O-CG2 3.39Å |
| 253 | V | 82.8 | Confident | 81.6 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | V249 A250 G251 K257 T561 | V249-V253 WeakPolarHBondContact O-CG2 3.42Å; V249-V253 PolarHBondContact O-N 2.98Å; A250-V253 PolarHBondContact O-N 2.79Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 3.11Å; V253-K257 PolarHBondContact O-N 3.44Å; V253-T561 HydrophobicContact CB-CG2 4.3Å; V253-T561 HydrophobicContact CG1-CG2 4.08Å; V253-T561 WeakPolarHBondContact CG1-O 3.07Å |
| 254 | L | 85.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.6 | -50.1 | 175.7 | -73 | 168.7 | 0 | 0 | 0 | 111.5 | I85 A250 G251 R256 K257 F258 A550 T561 P575 V578 | I85-L254 HydrophobicContact CD1-CD1 4.22Å; A250-L254 WeakPolarHBondContact O-CG 3.48Å; A250-L254 PolarHBondContact O-N 2.72Å; G251-L254 PolarHBondContact O-N 2.84Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 2.93Å; L254-K257 WeakPolarHBondContact O-CA 3.49Å; L254-K257 WeakPolarHBondContact O-CB 3.28Å; L254-K257 PolarHBondContact O-N 2.81Å; L254-F258 HydrophobicContact CB-CD2 4.47Å; L254-F258 HydrophobicContact CB-CE2 4.1Å; L254-F258 HydrophobicContact CD2-CZ 4.43Å; L254-F258 WeakPolarHBondContact O-CG 3.06Å; L254-F258 PolarHBondContact O-N 2.6Å; L254-A550 HydrophobicContact CB-CB 4.32Å; L254-T561 HydrophobicContact CD1-CG2 4.12Å; L254-T561 HydrophobicContact CD2-CG2 3.79Å; L254-T561 HydrophobicContact CG-CG2 3.55Å; L254-P575 HydrophobicContact CD2-CB 4.12Å; L254-P575 HydrophobicContact CD2-CG 4.22Å; L254-V578 HydrophobicContact CD2-CG2 4.35Å |
| 255 | L | 87.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | -179.6 | -177.6 | 58.2 | 0 | 0 | 0 | 111.3 | G251 K257 F258 Q259 L543 D546 A550 I661 | G251-L255 VanDerWaalsContact O-CB 3.26Å; G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.47Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 2.97Å; L255-F258 PolarHBondContact O-N 3.3Å; L255-Q259 HydrophobicContact CD1-CG 4.24Å; L255-Q259 HydrophobicContact CG-CG 4.42Å; L255-Q259 WeakPolarHBondContact O-CB 3.34Å; L255-Q259 WeakPolarHBondContact O-CG 3.32Å; L255-Q259 PolarHBondContact O-N 3.35Å; L255-L543 HydrophobicContact CD2-CD1 3.58Å; L255-D546 HydrophobicContact CD1-CB 3.95Å; L255-D546 HydrophobicContact CD2-CB 4.03Å; L255-A550 HydrophobicContact CB-CB 4.37Å; L255-I661 HydrophobicContact CD2-CD1 4.46Å; L255-I661 HydrophobicContact CD2-CG1 3.85Å; L255-I661 HydrophobicContact CG-CG1 4.05Å |
| 256 | R | 87.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 21.9 Ų | 21.9 | 36% | 0.358 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.1 | 177 | 173.1 | 171.7 | -152 | 0.4 | 112.7 | L252 L254 R260 I661 | L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 PolarHBondContact O-N 2.97Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 2.93Å; R256-R260 PolarHBondContact O-N 3.02Å; R256-R260 VanDerWaalsContact O-N 3.12Å; R256-I661 HydrophobicContact CB-CB 4.02Å; R256-I661 HydrophobicContact CB-CG2 3.81Å; R256-I661 WeakPolarHBondContact CG-O 3.48Å |
| 257 | K | 86.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 23 Ų | 23 | 10% | 0.096 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69 | -43.2 | 178.8 | -75.3 | -167.1 | 168.8 | -144.3 | 0 | 110.9 | V253 L254 L255 R260 L261 C564 E574 P575 V578 | V253-K257 PolarHBondContact O-N 3.44Å; L254-K257 WeakPolarHBondContact O-CA 3.49Å; L254-K257 WeakPolarHBondContact O-CB 3.28Å; L254-K257 PolarHBondContact O-N 2.81Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 2.97Å; K257-R260 WeakPolarHBondContact O-CB 3.45Å; K257-R260 PolarHBondContact O-N 3.01Å; K257-R260 VanDerWaalsContact O-N 3.16Å; K257-L261 PolarHBondContact O-N 3.07Å; K257-C564 PolarHBondContact NZ-SG 3.01Å; K257-E574 IonicContact NZ-OE1 2.76Å; K257-E574 PolarHBondContact NZ-OE1 3.49Å; K257-P575 HydrophobicContact CD-CG 4.41Å; K257-V578 HydrophobicContact CB-CG1 4.27Å; K257-V578 HydrophobicContact CB-CG2 3.88Å; K257-V578 HydrophobicContact CD-CB 4.43Å; K257-V578 HydrophobicContact CD-CG1 4.09Å; K257-V578 HydrophobicContact CD-CG2 3.76Å; K257-V578 HydrophobicContact CG-CG2 4.49Å |
| 258 | F | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 175.8 | -62.5 | -30.6 | 0 | 0 | 0 | 112.1 | L254 L255 R260 L261 E262 A550 V578 M581 Y591 | L254-F258 HydrophobicContact CB-CD2 4.47Å; L254-F258 HydrophobicContact CB-CE2 4.1Å; L254-F258 HydrophobicContact CD2-CZ 4.43Å; L254-F258 WeakPolarHBondContact O-CG 3.06Å; L254-F258 PolarHBondContact O-N 2.6Å; L255-F258 PolarHBondContact O-N 3.3Å; F258-R260 PolarHBondContact O-N 3.14Å; F258-R260 VanDerWaalsContact O-N 3.14Å; F258-L261 PolarHBondContact O-N 3.16Å; F258-L261 VanDerWaalsContact O-N 3.08Å; F258-E262 WeakPolarHBondContact O-CG 3.2Å; F258-E262 PolarHBondContact O-N 3.1Å; F258-A550 HydrophobicContact CD2-CB 3.86Å; F258-A550 HydrophobicContact CE2-CB 3.86Å; F258-V578 HydrophobicContact CD1-CG2 4.25Å; F258-V578 HydrophobicContact CE1-CG2 3.77Å; F258-M581 HydrophobicContact CB-CE 4.42Å; F258-M581 HydrophobicContact CB-SD 4.25Å; F258-M581 HydrophobicContact CD1-CE 3.27Å; F258-M581 HydrophobicContact CD1-SD 3.36Å; F258-M581 WeakPolarHBondContact CD1-SD 3.44Å; F258-M581 HydrophobicContact CD2-CE 4.3Å; F258-M581 HydrophobicContact CE1-CE 3.38Å; F258-M581 HydrophobicContact CE1-SD 3.92Å; F258-M581 HydrophobicContact CE2-CE 4.39Å; F258-M581 HydrophobicContact CG-CE 3.77Å; F258-M581 HydrophobicContact CG-SD 4.03Å; F258-M581 HydrophobicContact CZ-CE 3.96Å; F258-Y591 HydrophobicContact CB-CE1 3.71Å; F258-Y591 HydrophobicContact CD2-CE2 4.23Å; F258-Y591 AromaticContact CD2-CZ 3.94Å; F258-Y591 HydrophobicContact CG-CE1 4.36Å |
| 259 | Q | 89.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.2 | -30.6 | 172.8 | -76.5 | -178 | -32.1 | 0 | 0 | 112.7 | L255 R263 E658 V659 | L255-Q259 HydrophobicContact CD1-CG 4.24Å; L255-Q259 HydrophobicContact CG-CG 4.42Å; L255-Q259 WeakPolarHBondContact O-CB 3.34Å; L255-Q259 WeakPolarHBondContact O-CG 3.32Å; L255-Q259 PolarHBondContact O-N 3.35Å; Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 VanDerWaalsContact O-CZ 3.25Å; Q259-R263 PolarHBondContact O-N 2.94Å; Q259-R263 PolarHBondContact O-NE 3.16Å; Q259-R263 VanDerWaalsContact O-NE 3.09Å; Q259-R263 PolarHBondContact O-NH2 3.05Å; Q259-E658 PolarHBondContact NE2-OE1 2.94Å; Q259-V659 PolarHBondContact NE2-O 3.37Å |
| 260 | R | 87.7 | Confident | 86.8 | Confident | 101 Ų | 101 | 40.2 Ų | 40.2 | 38% | 0.381 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -71.6 | -49.4 | 174.6 | -178.9 | -177.8 | 68.2 | -178.1 | 2.4 | 110.9 | R256 K257 F258 E262 R263 E264 E574 | R256-R260 PolarHBondContact O-N 3.02Å; R256-R260 VanDerWaalsContact O-N 3.12Å; K257-R260 WeakPolarHBondContact O-CB 3.45Å; K257-R260 PolarHBondContact O-N 3.01Å; K257-R260 VanDerWaalsContact O-N 3.16Å; F258-R260 PolarHBondContact O-N 3.14Å; F258-R260 VanDerWaalsContact O-N 3.14Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.26Å; R260-R263 PolarHBondContact O-N 3.5Å; R260-E264 WeakPolarHBondContact CD-OE1 3.39Å; R260-E264 VanDerWaalsContact CG-OE1 3.23Å; R260-E264 WeakPolarHBondContact CG-OE1 3.34Å; R260-E264 IonicContact NE-OE1 3.84Å; R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3.27Å; R260-E574 IonicContact NH2-OE1 2.8Å |
| 261 | L | 87.2 | Confident | 87 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 179 | -70.1 | 178.8 | 0 | 0 | 0 | 112.1 | K257 F258 R263 E264 A265 V578 M581 | K257-L261 PolarHBondContact O-N 3.07Å; F258-L261 PolarHBondContact O-N 3.16Å; F258-L261 VanDerWaalsContact O-N 3.08Å; L261-R263 PolarHBondContact O-N 3.35Å; L261-E264 PolarHBondContact O-N 3Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 3.31Å; L261-V578 HydrophobicContact CD1-CG1 3.79Å; L261-M581 HydrophobicContact CB-SD 4.4Å; L261-M581 HydrophobicContact CD1-CB 3.97Å; L261-M581 HydrophobicContact CD1-CG 3.95Å; L261-M581 HydrophobicContact CD1-SD 3.88Å |
| 262 | E | 87.3 | Confident | 87 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 174.9 | -74 | -179.4 | 139.5 | 0 | 0 | 111.6 | F258 R260 A265 I266 I588 Y591 Q592 R595 | F258-E262 WeakPolarHBondContact O-CG 3.2Å; F258-E262 PolarHBondContact O-N 3.1Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.26Å; E262-A265 PolarHBondContact O-N 3.43Å; E262-I266 VanDerWaalsContact O-CG1 3.29Å; E262-I266 WeakPolarHBondContact O-CG1 3.36Å; E262-I266 PolarHBondContact O-N 2.79Å; E262-I588 HydrophobicContact CG-CG2 4.19Å; E262-Y591 VanDerWaalsContact CD-CE1 3.48Å; E262-Y591 HydrophobicContact CG-CD1 3.91Å; E262-Y591 HydrophobicContact CG-CE1 4.06Å; E262-Y591 WeakPolarHBondContact OE1-CD1 3.47Å; E262-Y591 WeakPolarHBondContact OE1-CE1 3.46Å; E262-Q592 HydrophobicContact CG-CG 4.33Å; E262-Q592 WeakPolarHBondContact OE1-CG 3.39Å; E262-R595 IonicContact OE1-NH1 3.89Å; E262-R595 IonicContact OE2-NH1 3.18Å; E262-R595 PolarHBondContact OE2-NH1 3.14Å |
| 263 | R | 88.6 | Confident | 87.2 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 178.6 | -75.8 | -173.5 | -92.2 | 104 | 5.5 | 112.2 | Q259 R260 L261 I266 V267 F277 | Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 VanDerWaalsContact O-CZ 3.25Å; Q259-R263 PolarHBondContact O-N 2.94Å; Q259-R263 PolarHBondContact O-NE 3.16Å; Q259-R263 VanDerWaalsContact O-NE 3.09Å; Q259-R263 PolarHBondContact O-NH2 3.05Å; R260-R263 PolarHBondContact O-N 3.5Å; L261-R263 PolarHBondContact O-N 3.35Å; R263-I266 PolarHBondContact O-N 3.15Å; R263-V267 WeakPolarHBondContact O-CG2 3.39Å; R263-V267 PolarHBondContact O-N 3.08Å; R263-V267 VanDerWaalsContact O-N 3.13Å; R263-F277 HydrophobicContact CB-CD1 4.46Å; R263-F277 HydrophobicContact CB-CD2 3.69Å; R263-F277 HydrophobicContact CB-CE1 4.5Å; R263-F277 HydrophobicContact CB-CE2 3.75Å; R263-F277 HydrophobicContact CB-CG 4.06Å; R263-F277 HydrophobicContact CB-CZ 4.17Å; R263-F277 HydrophobicContact CG-CD1 3.87Å; R263-F277 HydrophobicContact CG-CD2 3.98Å; R263-F277 HydrophobicContact CG-CE1 3.74Å; R263-F277 HydrophobicContact CG-CE2 3.86Å; R263-F277 HydrophobicContact CG-CG 3.98Å; R263-F277 HydrophobicContact CG-CZ 3.74Å; R263-F277 WeakPolarHBondContact O-CE2 3.49Å |
| 264 | E | 87.8 | Confident | 87.6 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 175 | -73.6 | 168.7 | -172.2 | 0 | 0 | 112 | R260 L261 R268 | R260-E264 WeakPolarHBondContact CD-OE1 3.39Å; R260-E264 VanDerWaalsContact CG-OE1 3.23Å; R260-E264 WeakPolarHBondContact CG-OE1 3.34Å; R260-E264 IonicContact NE-OE1 3.84Å; R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3.27Å; L261-E264 PolarHBondContact O-N 3Å; E264-R268 WeakPolarHBondContact O-CB 3.29Å; E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.42Å; E264-R268 PolarHBondContact O-N 3.07Å; E264-R268 PolarHBondContact O-NE 2.96Å |
| 265 | A | 87.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L261 E262 V267 R268 Q269 I588 | L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 3.31Å; E262-A265 PolarHBondContact O-N 3.43Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.04Å; A265-R268 PolarHBondContact O-N 2.8Å; A265-Q269 WeakPolarHBondContact O-CB 3.42Å; A265-Q269 VanDerWaalsContact O-CG 3.31Å; A265-Q269 WeakPolarHBondContact O-CG 3.49Å; A265-Q269 PolarHBondContact O-N 3.04Å; A265-I588 HydrophobicContact CB-CB 4.35Å; A265-I588 HydrophobicContact CB-CD1 3.66Å; A265-I588 HydrophobicContact CB-CG2 3.78Å |
| 266 | I | 88.3 | Confident | 87.9 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | 176.8 | -72.9 | 164.2 | 0 | 0 | 0 | 111.1 | E262 R263 R270 K271 T274 F277 | E262-I266 VanDerWaalsContact O-CG1 3.29Å; E262-I266 WeakPolarHBondContact O-CG1 3.36Å; E262-I266 PolarHBondContact O-N 2.79Å; R263-I266 PolarHBondContact O-N 3.15Å; I266-R270 WeakPolarHBondContact O-CA 3.47Å; I266-R270 PolarHBondContact O-N 3.4Å; I266-K271 HydrophobicContact CG1-CD 4.45Å; I266-K271 HydrophobicContact CG2-CB 4.21Å; I266-K271 PolarHBondContact O-N 3.4Å; I266-T274 HydrophobicContact CG2-CG2 4.16Å; I266-F277 HydrophobicContact CB-CE2 3.96Å; I266-F277 HydrophobicContact CB-CZ 4.21Å; I266-F277 HydrophobicContact CD1-CZ 4.08Å; I266-F277 HydrophobicContact CG2-CE2 3.72Å; I266-F277 HydrophobicContact CG2-CZ 3.8Å |
| 267 | V | 89.3 | Confident | 88.1 | Confident | 45 Ų | 45 | 59 Ų | 59 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | R263 A265 Q269 R270 T274 Y275 F277 | R263-V267 WeakPolarHBondContact O-CG2 3.39Å; R263-V267 PolarHBondContact O-N 3.08Å; R263-V267 VanDerWaalsContact O-N 3.13Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.04Å; V267-Q269 VanDerWaalsContact C-N 3.3Å; V267-Q269 PolarHBondContact O-N 3.4Å; V267-R270 PolarHBondContact O-N 2.97Å; V267-R270 VanDerWaalsContact O-N 3.09Å; V267-T274 HydrophobicContact CG2-CG2 4.32Å; V267-Y275 VanDerWaalsContact CG1-O 3.3Å; V267-Y275 WeakPolarHBondContact CG1-O 3.28Å; V267-F277 HydrophobicContact CG2-CD2 3.6Å; V267-F277 HydrophobicContact CG2-CE2 3.84Å |
| 268 | R | 88.2 | Confident | 88.3 | Confident | 140 Ų | 140 | 58.1 Ų | 58.1 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 178.3 | -76.4 | -175.6 | -64 | 154.9 | 11.2 | 112.3 | E264 A265 R270 D585 | E264-R268 WeakPolarHBondContact O-CB 3.29Å; E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.42Å; E264-R268 PolarHBondContact O-N 3.07Å; E264-R268 PolarHBondContact O-NE 2.96Å; A265-R268 PolarHBondContact O-N 2.8Å; R268-R270 VanDerWaalsContact C-N 3.29Å; R268-R270 PolarHBondContact O-N 3.36Å; R268-D585 IonicContact CZ-OD1 3.33Å; R268-D585 IonicContact NH1-OD1 2.84Å; R268-D585 IonicContact NH2-OD1 3.58Å; R268-D585 PolarHBondContact NH2-OD1 2.92Å |
| 269 | Q | 87.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.3 | 178.7 | -65.9 | 172.6 | 10.1 | 0 | 0 | 113.3 | A265 V267 K271 D585 | A265-Q269 WeakPolarHBondContact O-CB 3.42Å; A265-Q269 VanDerWaalsContact O-CG 3.31Å; A265-Q269 WeakPolarHBondContact O-CG 3.49Å; A265-Q269 PolarHBondContact O-N 3.04Å; V267-Q269 VanDerWaalsContact C-N 3.3Å; V267-Q269 PolarHBondContact O-N 3.4Å; Q269-K271 PolarHBondContact O-N 2.7Å; Q269-K271 VanDerWaalsContact O-N 3.09Å; Q269-D585 PolarHBondContact NE2-OD2 3.39Å |
| 270 | R | 87.2 | Confident | 88.2 | Confident | 173 Ų | 173 | 59.2 Ų | 59.2 | 65% | 0.653 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 36.6 | -168.7 | -66.5 | -164.2 | 178.8 | -165.1 | 2 | 113.2 | I266 V267 R268 N272 G273 | I266-R270 WeakPolarHBondContact O-CA 3.47Å; I266-R270 PolarHBondContact O-N 3.4Å; V267-R270 PolarHBondContact O-N 2.97Å; V267-R270 VanDerWaalsContact O-N 3.09Å; R268-R270 VanDerWaalsContact C-N 3.29Å; R268-R270 PolarHBondContact O-N 3.36Å; R270-N272 PolarHBondContact O-N 3.26Å; R270-G273 PolarHBondContact O-N 2.82Å |
| 271 | K | 84.9 | Confident | 88.3 | Confident | 85 Ų | 85 | 55 Ų | 55 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -60.4 | 131.2 | -179.5 | -171 | 175.6 | -177.9 | 175.4 | 0 | 108.4 | I266 Q269 G273 T274 | I266-K271 HydrophobicContact CG1-CD 4.45Å; I266-K271 HydrophobicContact CG2-CB 4.21Å; I266-K271 PolarHBondContact O-N 3.4Å; Q269-K271 PolarHBondContact O-N 2.7Å; Q269-K271 VanDerWaalsContact O-N 3.09Å; K271-G273 PolarHBondContact O-N 2.74Å; K271-T274 WeakPolarHBondContact O-CB 3.29Å; K271-T274 PolarHBondContact O-N 3.46Å; K271-T274 PolarHBondContact O-OG1 2.93Å |
| 272 | N | 85.2 | Confident | 88.5 | Confident | 145 Ų | 145 | 57.1 Ų | 57.1 | 78% | 0.775 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | 56.5 | 25 | -175.1 | -56.1 | -18.9 | 0 | 0 | 0 | 114.9 | R270 T274 | R270-N272 PolarHBondContact O-N 3.26Å; N272-T274 VanDerWaalsContact C-N 3.28Å; N272-T274 PolarHBondContact O-N 3.06Å |
| 273 | G | 87.6 | Confident | 88.8 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | 68.7 | 25.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R270 K271 Y275 | R270-G273 PolarHBondContact O-N 2.82Å; K271-G273 PolarHBondContact O-N 2.74Å; G273-Y275 PolarHBondContact O-N 3.3Å |
| 274 | T | 91.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -76.2 | 121 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | I266 V267 K271 N272 F277 P282 | I266-T274 HydrophobicContact CG2-CG2 4.16Å; V267-T274 HydrophobicContact CG2-CG2 4.32Å; K271-T274 WeakPolarHBondContact O-CB 3.29Å; K271-T274 PolarHBondContact O-N 3.46Å; K271-T274 PolarHBondContact O-OG1 2.93Å; N272-T274 VanDerWaalsContact C-N 3.28Å; N272-T274 PolarHBondContact O-N 3.06Å; T274-F277 HydrophobicContact CG2-CD2 4.25Å; T274-F277 HydrophobicContact CG2-CE2 3.84Å; T274-F277 HydrophobicContact CG2-CZ 4.17Å; T274-P282 HydrophobicContact CG2-CB 3.65Å | ||
| 275 | Y | 89.2 | Confident | 89 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | trans | -84.5 | -46.8 | 177.7 | -66.1 | -71.9 | 0 | 0 | 0 | 112.3 | V267 G273 I283 E285 | V267-Y275 VanDerWaalsContact CG1-O 3.3Å; V267-Y275 WeakPolarHBondContact CG1-O 3.28Å; G273-Y275 PolarHBondContact O-N 3.3Å; Y275-I283 PolarHBondContact N-O 3.3Å; Y275-E285 HydrophobicContact CE2-CG 3.58Å; Y275-E285 WeakPolarHBondContact OH-CG 3.21Å; Y275-E285 PolarHBondContact OH-OE1 3.28Å | ||
| 276 | E | 91 | Very high | 89 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 171.8 | -179.9 | 62.5 | 170.8 | -172.7 | 0 | 0 | 110.8 | L278 I283 H630 | E276-L278 HydrophobicContact CG-CG 4.42Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.36Å; E276-I283 HydrophobicContact CG-CB 4.05Å; E276-I283 HydrophobicContact CG-CG1 4.05Å; E276-I283 PolarHBondContact O-N 3.22Å; E276-H630 IonicContact OE1-ND1 3.6Å; E276-H630 IonicContact OE2-CE1 3.33Å; E276-H630 IonicContact OE2-ND1 2.85Å |
| 277 | F | 90.9 | Very high | 89.1 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.3 | 171.5 | -78.3 | -93.3 | 0 | 0 | 0 | 110.8 | R263 I266 V267 T274 V281 P282 | R263-F277 HydrophobicContact CB-CD1 4.46Å; R263-F277 HydrophobicContact CB-CD2 3.69Å; R263-F277 HydrophobicContact CB-CE1 4.5Å; R263-F277 HydrophobicContact CB-CE2 3.75Å; R263-F277 HydrophobicContact CB-CG 4.06Å; R263-F277 HydrophobicContact CB-CZ 4.17Å; R263-F277 HydrophobicContact CG-CD1 3.87Å; R263-F277 HydrophobicContact CG-CD2 3.98Å; R263-F277 HydrophobicContact CG-CE1 3.74Å; R263-F277 HydrophobicContact CG-CE2 3.86Å; R263-F277 HydrophobicContact CG-CG 3.98Å; R263-F277 HydrophobicContact CG-CZ 3.74Å; R263-F277 WeakPolarHBondContact O-CE2 3.49Å; I266-F277 HydrophobicContact CB-CE2 3.96Å; I266-F277 HydrophobicContact CB-CZ 4.21Å; I266-F277 HydrophobicContact CD1-CZ 4.08Å; I266-F277 HydrophobicContact CG2-CE2 3.72Å; I266-F277 HydrophobicContact CG2-CZ 3.8Å; V267-F277 HydrophobicContact CG2-CD2 3.6Å; V267-F277 HydrophobicContact CG2-CE2 3.84Å; T274-F277 HydrophobicContact CG2-CD2 4.25Å; T274-F277 HydrophobicContact CG2-CE2 3.84Å; T274-F277 HydrophobicContact CG2-CZ 4.17Å; F277-V281 CarbonylContact C-O 3.57Å; F277-V281 VanDerWaalsContact CA-O 3.24Å; F277-V281 WeakPolarHBondContact CA-O 3.27Å; F277-P282 HydrophobicContact CD1-CB 4.18Å; F277-P282 HydrophobicContact CE1-CB 3.68Å; F277-P282 HydrophobicContact CE1-CG 4.25Å; F277-P282 HydrophobicContact CZ-CB 4.02Å |
| 278 | L | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.6 | 172.9 | -62.2 | -178.3 | 0 | 0 | 0 | 109.8 | E276 G280 V281 I283 V628 H630 | E276-L278 HydrophobicContact CG-CG 4.42Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.36Å; L278-G280 PolarHBondContact O-N 2.8Å; L278-V281 PolarHBondContact N-O 2.84Å; L278-V281 WeakPolarHBondContact O-CB 3.18Å; L278-V281 PolarHBondContact O-N 2.87Å; L278-I283 HydrophobicContact CB-CD1 4.09Å; L278-I283 HydrophobicContact CB-CG1 4.11Å; L278-I283 HydrophobicContact CD1-CD1 3.83Å; L278-I283 HydrophobicContact CD1-CG1 3.74Å; L278-I283 HydrophobicContact CG-CD1 4.01Å; L278-I283 HydrophobicContact CG-CG1 3.62Å; L278-V628 HydrophobicContact CB-CB 3.82Å; L278-V628 HydrophobicContact CB-CG1 4.44Å; L278-V628 HydrophobicContact CB-CG2 3.91Å; L278-V628 HydrophobicContact CD1-CG2 3.97Å; L278-H630 HydrophobicContact CD2-CB 3.74Å |
| 279 | S | 88.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 22.8 | -174.1 | -65.1 | 0 | 0 | 0 | 0 | 114.9 | K529 R629 | S279-K529 WeakPolarHBondContact O-CE 3.23Å; S279-K529 WeakPolarHBondContact O-CG 3.3Å; S279-R629 PolarHBondContact OG-N 3.23Å; S279-R629 VanDerWaalsContact OG-N 3.12Å |
| 280 | G | 85.5 | Confident | 89.6 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -1.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | L278 | L278-G280 PolarHBondContact O-N 2.8Š|
| 281 | V | 90.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.7 | 170.3 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | F277 L278 I283 H626 V628 I649 | F277-V281 CarbonylContact C-O 3.57Å; F277-V281 VanDerWaalsContact CA-O 3.24Å; F277-V281 WeakPolarHBondContact CA-O 3.27Å; L278-V281 PolarHBondContact N-O 2.84Å; L278-V281 WeakPolarHBondContact O-CB 3.18Å; L278-V281 PolarHBondContact O-N 2.87Å; V281-I283 PolarHBondContact O-N 3.31Å; V281-H626 WeakPolarHBondContact CG2-CE1 3.41Å; V281-H626 WeakPolarHBondContact CG2-ND1 3.48Å; V281-V628 HydrophobicContact CG2-CG1 4.02Å; V281-I649 HydrophobicContact CB-CD1 4.32Å; V281-I649 HydrophobicContact CG1-CD1 3.79Å; V281-I649 HydrophobicContact CG2-CD1 4.37Å |
| 282 | P | 91.8 | Very high | 89.7 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.3 | 171.9 | 28.7 | -32.1 | 0 | 0 | 0 | 110.3 | T274 F277 | T274-P282 HydrophobicContact CG2-CB 3.65Å; F277-P282 HydrophobicContact CD1-CB 4.18Å; F277-P282 HydrophobicContact CE1-CB 3.68Å; F277-P282 HydrophobicContact CE1-CG 4.25Å; F277-P282 HydrophobicContact CZ-CB 4.02Å |
| 283 | I | 92.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.5 | 173.1 | -54.7 | -55.7 | 0 | 0 | 0 | 108.5 | Y275 E276 L278 V281 T287 F289 | Y275-I283 PolarHBondContact N-O 3.3Å; E276-I283 HydrophobicContact CG-CB 4.05Å; E276-I283 HydrophobicContact CG-CG1 4.05Å; E276-I283 PolarHBondContact O-N 3.22Å; L278-I283 HydrophobicContact CB-CD1 4.09Å; L278-I283 HydrophobicContact CB-CG1 4.11Å; L278-I283 HydrophobicContact CD1-CD1 3.83Å; L278-I283 HydrophobicContact CD1-CG1 3.74Å; L278-I283 HydrophobicContact CG-CD1 4.01Å; L278-I283 HydrophobicContact CG-CG1 3.62Å; V281-I283 PolarHBondContact O-N 3.31Å; I283-T287 HydrophobicContact CD1-CG2 4.05Å; I283-F289 HydrophobicContact CD1-CZ 4.42Å; I283-F289 HydrophobicContact CG2-CE2 4.48Å; I283-F289 HydrophobicContact CG2-CZ 4.13Å |
| 284 | T | 92.2 | Very high | 89.7 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -128.3 | 175.2 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 109.4 | R286 T287 | T284-R286 PolarHBondContact O-N 3.11Å; T284-R286 PolarHBondContact OG1-N 2.82Å; T284-T287 PolarHBondContact N-OG1 2.67Å; T284-T287 WeakPolarHBondContact O-CB 3.48Å; T284-T287 PolarHBondContact O-N 3.12Å; T284-T287 VanDerWaalsContact O-N 3.16Å; T284-T287 PolarHBondContact O-OG1 2.91Å | ||
| 285 | E | 88.3 | Confident | 89.6 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.8 | 173.3 | -58.9 | -177.7 | 170.2 | 0 | 0 | 113.2 | Y275 | Y275-E285 HydrophobicContact CE2-CG 3.58Å; Y275-E285 WeakPolarHBondContact OH-CG 3.21Å; Y275-E285 PolarHBondContact OH-OE1 3.28Å |
| 286 | R | 88.1 | Confident | 89.7 | Confident | 226 Ų | 226 | 67.4 Ų | 67.4 | 85% | 0.853 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.4 | -179.2 | -59.2 | -178.5 | -177.2 | -174.2 | 0.2 | 113 | T284 Q288 | T284-R286 PolarHBondContact O-N 3.11Å; T284-R286 PolarHBondContact OG1-N 2.82Å; R286-Q288 PolarHBondContact O-N 2.91Å |
| 287 | T | 91.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.16 | 34% | 0.339 | C | S | . | . | trans | -64 | 120.6 | -177.4 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | I283 T284 F289 I649 | I283-T287 HydrophobicContact CD1-CG2 4.05Å; T284-T287 PolarHBondContact N-OG1 2.67Å; T284-T287 WeakPolarHBondContact O-CB 3.48Å; T284-T287 PolarHBondContact O-N 3.12Å; T284-T287 VanDerWaalsContact O-N 3.16Å; T284-T287 PolarHBondContact O-OG1 2.91Å; T287-F289 HydrophobicContact CG2-CD2 4.34Å; T287-F289 HydrophobicContact CG2-CE2 3.89Å; T287-F289 HydrophobicContact CG2-CZ 4.08Å; T287-F289 PolarHBondContact O-N 3.44Å; T287-I649 HydrophobicContact CG2-CB 4.36Å; T287-I649 HydrophobicContact CG2-CD1 4.35Å; T287-I649 HydrophobicContact CG2-CG2 4.02Å | ||
| 288 | Q | 92.6 | Very high | 89.9 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | trans | -91.5 | 100.2 | -179.1 | -64.5 | -175.2 | 3.9 | 0 | 0 | 110.7 | R286 I649 W650 | R286-Q288 PolarHBondContact O-N 2.91Å; Q288-I649 WeakPolarHBondContact O-CA 3.46Å; Q288-W650 HydrophobicContact CB-CB 4.27Å; Q288-W650 PolarHBondContact O-N 3.27Å | ||
| 289 | F | 91.5 | Very high | 90 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 139.3 | 171 | -67.4 | -89.4 | 0 | 0 | 0 | 110.7 | I283 T287 A291 I649 | I283-F289 HydrophobicContact CD1-CZ 4.42Å; I283-F289 HydrophobicContact CG2-CE2 4.48Å; I283-F289 HydrophobicContact CG2-CZ 4.13Å; T287-F289 HydrophobicContact CG2-CD2 4.34Å; T287-F289 HydrophobicContact CG2-CE2 3.89Å; T287-F289 HydrophobicContact CG2-CZ 4.08Å; T287-F289 PolarHBondContact O-N 3.44Å; F289-A291 PolarHBondContact O-N 2.85Å; F289-A291 VanDerWaalsContact O-N 3.09Å; F289-I649 HydrophobicContact CD1-CG2 3.44Å; F289-I649 VanDerWaalsContact CD1-CG2 3.44Å; F289-I649 HydrophobicContact CE1-CG2 3.57Å; F289-I649 HydrophobicContact CG-CG2 4.08Å; F289-I649 HydrophobicContact CZ-CG2 4.32Å |
| 290 | L | 90.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | trans | -69.9 | 109.7 | 174.5 | -174.9 | 63.4 | 0 | 0 | 0 | 109.1 | L292 N297 F301 A648 W650 | L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 HydrophobicContact CD2-CD2 3.77Å; L290-L292 HydrophobicContact CD2-CG 4.47Å; L290-L292 HydrophobicContact CG-CD2 3.93Å; L290-L292 HydrophobicContact CG-CG 4.34Å; L290-L292 PolarHBondContact O-N 3.45Å; L290-N297 HydrophobicContact CD1-CB 4.27Å; L290-F301 HydrophobicContact CD2-CB 4.45Å; L290-F301 HydrophobicContact CD2-CD2 3.4Å; L290-F301 VanDerWaalsContact CD2-CD2 3.4Å; L290-F301 HydrophobicContact CD2-CE2 3.92Å; L290-F301 HydrophobicContact CD2-CG 4.2Å; L290-A648 HydrophobicContact CB-CB 4.03Å; L290-A648 HydrophobicContact CD2-CB 4.18Å; L290-A648 PolarHBondContact N-O 2.66Å; L290-W650 HydrophobicContact CD1-CZ2 3.85Å | ||
| 291 | A | 87.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -74.4 | 80.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F289 N293 D294 N297 | F289-A291 PolarHBondContact O-N 2.85Å; F289-A291 VanDerWaalsContact O-N 3.09Å; A291-N293 PolarHBondContact O-N 2.93Å; A291-N293 VanDerWaalsContact O-N 3.09Å; A291-D294 PolarHBondContact O-N 2.91Å; A291-D294 VanDerWaalsContact O-N 3.15Å; A291-N297 WeakPolarHBondContact O-CB 3.3Å; A291-N297 PolarHBondContact O-ND2 3.31Å | ||
| 292 | L | 86.7 | Confident | 91.1 | Very high | 15 Ų | 15 | 74.7 Ų | 74.7 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -0.8 | 178.3 | -63.3 | 177.6 | 0 | 0 | 0 | 114.1 | L290 D294 F301 V681 R685 | L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 HydrophobicContact CD2-CD2 3.77Å; L290-L292 HydrophobicContact CD2-CG 4.47Å; L290-L292 HydrophobicContact CG-CD2 3.93Å; L290-L292 HydrophobicContact CG-CG 4.34Å; L290-L292 PolarHBondContact O-N 3.45Å; L292-D294 VanDerWaalsContact C-N 3.32Å; L292-F301 HydrophobicContact CD1-CD1 4.49Å; L292-F301 HydrophobicContact CD2-CB 3.67Å; L292-F301 HydrophobicContact CD2-CD1 4.21Å; L292-F301 HydrophobicContact CD2-CD2 4.28Å; L292-F301 HydrophobicContact CD2-CG 3.81Å; L292-V681 HydrophobicContact CD1-CG1 3.41Å; L292-V681 VanDerWaalsContact CD1-CG1 3.41Å; L292-R685 WeakPolarHBondContact O-CD 3.42Å; L292-R685 PolarHBondContact O-NE 3.29Å; L292-R685 PolarHBondContact O-NH1 3.4Å; L292-R685 PolarHBondContact O-NH2 3.19Å |
| 293 | N | 83.9 | Confident | 91.3 | Very high | 131 Ų | 131 | 73.6 Ų | 73.6 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.8 | 170.1 | -69.1 | -20.2 | 0 | 0 | 0 | 111.9 | A291 | A291-N293 PolarHBondContact O-N 2.93Å; A291-N293 VanDerWaalsContact O-N 3.09Å |
| 294 | D | 89 | Confident | 91.5 | Very high | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -74.1 | 131.3 | 172.2 | 178 | 17.7 | 0 | 0 | 0 | 109.9 | A291 L292 K296 N297 Y298 | A291-D294 PolarHBondContact O-N 2.91Å; A291-D294 VanDerWaalsContact O-N 3.15Å; L292-D294 VanDerWaalsContact C-N 3.32Å; D294-K296 VanDerWaalsContact C-N 3.28Å; D294-K296 PolarHBondContact O-N 3.46Å; D294-K296 PolarHBondContact OD1-N 3.09Å; D294-N297 HydrophobicContact CB-CB 4.35Å; D294-N297 PolarHBondContact O-N 3.17Å; D294-N297 PolarHBondContact OD2-ND2 2.99Å; D294-Y298 WeakPolarHBondContact O-CB 3.44Å; D294-Y298 PolarHBondContact O-N 3.21Å |
| 295 | A | 89.8 | Confident | 91.7 | Very high | 60 Ų | 60 | 72 Ų | 72 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N297 Y298 D299 | A295-N297 PolarHBondContact O-N 3.16Å; A295-Y298 WeakPolarHBondContact O-CB 3.24Å; A295-Y298 PolarHBondContact O-N 2.78Å; A295-D299 WeakPolarHBondContact O-CB 3.49Å; A295-D299 VanDerWaalsContact O-CG 3.24Å; A295-D299 PolarHBondContact O-N 3.13Å |
| 296 | K | 92 | Very high | 92.1 | Very high | 164 Ų | 164 | 66 Ų | 66 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | -178.6 | -175.3 | 179.3 | 179.1 | 179.4 | 0 | 112.3 | D294 Y298 F300 | D294-K296 VanDerWaalsContact C-N 3.28Å; D294-K296 PolarHBondContact O-N 3.46Å; D294-K296 PolarHBondContact OD1-N 3.09Å; K296-Y298 VanDerWaalsContact C-N 3.31Å; K296-F300 WeakPolarHBondContact O-CB 3.36Å; K296-F300 PolarHBondContact O-N 3.19Å |
| 297 | N | 91.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 177.6 | -69.3 | -30.6 | 0 | 0 | 0 | 111.8 | L290 A291 D294 A295 F301 | L290-N297 HydrophobicContact CD1-CB 4.27Å; A291-N297 WeakPolarHBondContact O-CB 3.3Å; A291-N297 PolarHBondContact O-ND2 3.31Å; D294-N297 HydrophobicContact CB-CB 4.35Å; D294-N297 PolarHBondContact O-N 3.17Å; D294-N297 PolarHBondContact OD2-ND2 2.99Å; A295-N297 PolarHBondContact O-N 3.16Å; N297-F301 WeakPolarHBondContact O-CB 3.33Å; N297-F301 PolarHBondContact O-N 3.38Å |
| 298 | Y | 93.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 176.4 | -178.8 | -104.5 | 0 | 0 | 0 | 112 | D294 A295 K296 F300 F301 Q302 V682 | D294-Y298 WeakPolarHBondContact O-CB 3.44Å; D294-Y298 PolarHBondContact O-N 3.21Å; A295-Y298 WeakPolarHBondContact O-CB 3.24Å; A295-Y298 PolarHBondContact O-N 2.78Å; K296-Y298 VanDerWaalsContact C-N 3.31Å; Y298-F300 VanDerWaalsContact C-N 3.33Å; Y298-F300 PolarHBondContact O-N 3Å; Y298-F301 CarbonylContact O-C 3.29Å; Y298-F301 PolarHBondContact O-N 3.22Å; Y298-F301 VanDerWaalsContact O-N 3.1Å; Y298-Q302 HydrophobicContact CD1-CG 4.28Å; Y298-Q302 HydrophobicContact CE1-CG 3.93Å; Y298-Q302 WeakPolarHBondContact O-CG 3.28Å; Y298-Q302 PolarHBondContact O-N 3.36Å; Y298-Q302 PolarHBondContact OH-NE2 3.35Å; Y298-V682 HydrophobicContact CE2-CG1 3.98Å; Y298-V682 HydrophobicContact CE2-CG2 4.39Å |
| 299 | D | 93.9 | Very high | 93 | Very high | 97 Ų | 97 | 50 Ų | 50 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 179.3 | -66.4 | -18.2 | 0 | 0 | 0 | 110.6 | A295 F301 Q302 T303 | A295-D299 WeakPolarHBondContact O-CB 3.49Å; A295-D299 VanDerWaalsContact O-CG 3.24Å; A295-D299 PolarHBondContact O-N 3.13Å; D299-F301 VanDerWaalsContact C-N 3.31Å; D299-F301 PolarHBondContact O-N 2.81Å; D299-Q302 WeakPolarHBondContact O-CB 3.37Å; D299-Q302 PolarHBondContact O-N 3.18Å; D299-Q302 VanDerWaalsContact O-N 3.13Å; D299-T303 PolarHBondContact O-N 3.31Å; D299-T303 PolarHBondContact O-OG1 3.41Å |
| 300 | F | 95.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 172.3 | 177.1 | -107.4 | 0 | 0 | 0 | 112.4 | K296 Y298 Q302 T303 V304 F501 T523 I625 W650 | K296-F300 WeakPolarHBondContact O-CB 3.36Å; K296-F300 PolarHBondContact O-N 3.19Å; Y298-F300 VanDerWaalsContact C-N 3.33Å; Y298-F300 PolarHBondContact O-N 3Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.31Å; F300-T303 WeakPolarHBondContact O-CB 3.07Å; F300-T303 PolarHBondContact O-N 3.09Å; F300-V304 HydrophobicContact CD1-CG2 4.46Å; F300-V304 HydrophobicContact CE1-CG2 4.09Å; F300-V304 HydrophobicContact CZ-CG2 4.18Å; F300-V304 WeakPolarHBondContact O-CG2 3.37Å; F300-V304 PolarHBondContact O-N 3.09Å; F300-F501 HydrophobicContact CE2-CE1 4.29Å; F300-T523 HydrophobicContact CE1-CG2 4.3Å; F300-T523 HydrophobicContact CZ-CG2 3.88Å; F300-T523 WeakPolarHBondContact CZ-OG1 3.14Å; F300-I625 HydrophobicContact CE1-CD1 4.14Å; F300-W650 HydrophobicContact CE1-CH2 4.17Å |
| 301 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -31 | 177.7 | -163.3 | -99.4 | 0 | 0 | 0 | 112.7 | L290 L292 N297 Y298 D299 V304 I305 I625 A648 L678 V681 V682 | L290-F301 HydrophobicContact CD2-CB 4.45Å; L290-F301 HydrophobicContact CD2-CD2 3.4Å; L290-F301 VanDerWaalsContact CD2-CD2 3.4Å; L290-F301 HydrophobicContact CD2-CE2 3.92Å; L290-F301 HydrophobicContact CD2-CG 4.2Å; L292-F301 HydrophobicContact CD1-CD1 4.49Å; L292-F301 HydrophobicContact CD2-CB 3.67Å; L292-F301 HydrophobicContact CD2-CD1 4.21Å; L292-F301 HydrophobicContact CD2-CD2 4.28Å; L292-F301 HydrophobicContact CD2-CG 3.81Å; N297-F301 WeakPolarHBondContact O-CB 3.33Å; N297-F301 PolarHBondContact O-N 3.38Å; Y298-F301 CarbonylContact O-C 3.29Å; Y298-F301 PolarHBondContact O-N 3.22Å; Y298-F301 VanDerWaalsContact O-N 3.1Å; D299-F301 VanDerWaalsContact C-N 3.31Å; D299-F301 PolarHBondContact O-N 2.81Å; F301-V304 WeakPolarHBondContact O-CB 3.33Å; F301-V304 PolarHBondContact O-N 3.43Å; F301-I305 HydrophobicContact CD1-CD1 3.96Å; F301-I305 HydrophobicContact CE1-CD1 4Å; F301-I305 HydrophobicContact CE1-CG1 4.46Å; F301-I305 WeakPolarHBondContact O-CG1 3.29Å; F301-I305 PolarHBondContact O-N 2.96Å; F301-I625 HydrophobicContact CD2-CD1 4.48Å; F301-I625 HydrophobicContact CE2-CG2 4.23Å; F301-A648 HydrophobicContact CE2-CB 4.02Å; F301-A648 HydrophobicContact CZ-CB 4.37Å; F301-L678 HydrophobicContact CE1-CD2 4.22Å; F301-L678 HydrophobicContact CE2-CD2 3.9Å; F301-L678 HydrophobicContact CZ-CD2 3.53Å; F301-V681 HydrophobicContact CE1-CB 4.01Å; F301-V681 HydrophobicContact CE1-CG1 3.99Å; F301-V681 HydrophobicContact CZ-CB 3.98Å; F301-V681 HydrophobicContact CZ-CG1 3.89Å; F301-V681 HydrophobicContact CZ-CG2 4.36Å; F301-V682 HydrophobicContact CD1-CG2 3.78Å; F301-V682 HydrophobicContact CE1-CG2 3.88Å |
| 302 | Q | 95.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 43 Ų | 43 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 169.8 | -67.9 | -62.1 | -26.6 | 0 | 0 | 111.3 | Y298 D299 F300 V304 I305 H306 | Y298-Q302 HydrophobicContact CD1-CG 4.28Å; Y298-Q302 HydrophobicContact CE1-CG 3.93Å; Y298-Q302 WeakPolarHBondContact O-CG 3.28Å; Y298-Q302 PolarHBondContact O-N 3.36Å; Y298-Q302 PolarHBondContact OH-NE2 3.35Å; D299-Q302 WeakPolarHBondContact O-CB 3.37Å; D299-Q302 PolarHBondContact O-N 3.18Å; D299-Q302 VanDerWaalsContact O-N 3.13Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.31Å; Q302-V304 VanDerWaalsContact C-N 3.3Å; Q302-V304 PolarHBondContact O-N 3.04Å; Q302-I305 WeakPolarHBondContact O-CB 3.32Å; Q302-I305 PolarHBondContact O-N 3.3Å; Q302-H306 WeakPolarHBondContact O-CB 3.16Å; Q302-H306 PolarHBondContact O-N 2.96Å |
| 303 | T | 95.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 171.8 | -53 | 0 | 0 | 0 | 0 | 111.6 | D299 F300 I305 H306 Y307 F501 | D299-T303 PolarHBondContact O-N 3.31Å; D299-T303 PolarHBondContact O-OG1 3.41Å; F300-T303 WeakPolarHBondContact O-CB 3.07Å; F300-T303 PolarHBondContact O-N 3.09Å; T303-I305 VanDerWaalsContact C-N 3.3Å; T303-I305 PolarHBondContact O-N 3.37Å; T303-H306 WeakPolarHBondContact O-CB 3.25Å; T303-H306 PolarHBondContact O-N 3.29Å; T303-Y307 HydrophobicContact CG2-CD2 3.63Å; T303-Y307 HydrophobicContact CG2-CE2 3.37Å; T303-Y307 WeakPolarHBondContact O-CD2 2.94Å; T303-Y307 PolarHBondContact O-N 3.25Å; T303-F501 HydrophobicContact CG2-CE2 4.38Å; T303-F501 HydrophobicContact CG2-CZ 3.85Å |
| 304 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -34.9 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | F300 F301 Q302 F501 Y503 T523 V525 I625 L678 | F300-V304 HydrophobicContact CD1-CG2 4.46Å; F300-V304 HydrophobicContact CE1-CG2 4.09Å; F300-V304 HydrophobicContact CZ-CG2 4.18Å; F300-V304 WeakPolarHBondContact O-CG2 3.37Å; F300-V304 PolarHBondContact O-N 3.09Å; F301-V304 WeakPolarHBondContact O-CB 3.33Å; F301-V304 PolarHBondContact O-N 3.43Å; Q302-V304 VanDerWaalsContact C-N 3.3Å; Q302-V304 PolarHBondContact O-N 3.04Å; V304-F501 HydrophobicContact CG2-CD1 4.07Å; V304-F501 HydrophobicContact CG2-CE1 3.83Å; V304-Y503 HydrophobicContact CG1-CE1 4Å; V304-Y503 WeakPolarHBondContact O-CE1 3.49Å; V304-Y503 PolarHBondContact O-OH 3.45Å; V304-T523 HydrophobicContact CG2-CG2 4.43Å; V304-V525 HydrophobicContact CG1-CG2 3.56Å; V304-I625 HydrophobicContact CG2-CD1 4.25Å; V304-L678 HydrophobicContact CG1-CD1 4.44Å; V304-L678 HydrophobicContact CG1-CD2 4.1Å |
| 305 | I | 96.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 173.8 | -71.6 | 162.6 | 0 | 0 | 0 | 111 | F301 Q302 T303 M308 Y309 L675 L678 K679 V682 | F301-I305 HydrophobicContact CD1-CD1 3.96Å; F301-I305 HydrophobicContact CE1-CD1 4Å; F301-I305 HydrophobicContact CE1-CG1 4.46Å; F301-I305 WeakPolarHBondContact O-CG1 3.29Å; F301-I305 PolarHBondContact O-N 2.96Å; Q302-I305 WeakPolarHBondContact O-CB 3.32Å; Q302-I305 PolarHBondContact O-N 3.3Å; T303-I305 VanDerWaalsContact C-N 3.3Å; T303-I305 PolarHBondContact O-N 3.37Å; I305-M308 WeakPolarHBondContact O-CB 3.1Å; I305-M308 PolarHBondContact O-N 3.32Å; I305-Y309 HydrophobicContact CG2-CE2 4.3Å; I305-Y309 WeakPolarHBondContact O-CD2 3.07Å; I305-L675 HydrophobicContact CG2-CD1 4.21Å; I305-L678 HydrophobicContact CD1-CB 4.44Å; I305-L678 HydrophobicContact CG1-CB 3.77Å; I305-K679 HydrophobicContact CG2-CG 4.46Å; I305-V682 HydrophobicContact CD1-CG2 3.58Å |
| 306 | H | 96.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 30 Ų | 30 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -52.2 | -177.9 | -179.7 | 73 | 0 | 0 | 0 | 111.9 | Q302 T303 M308 Y309 F310 D393 H396 | Q302-H306 WeakPolarHBondContact O-CB 3.16Å; Q302-H306 PolarHBondContact O-N 2.96Å; T303-H306 WeakPolarHBondContact O-CB 3.25Å; T303-H306 PolarHBondContact O-N 3.29Å; H306-M308 PolarHBondContact O-N 2.93Å; H306-Y309 WeakPolarHBondContact O-CB 3Å; H306-Y309 PolarHBondContact O-N 2.84Å; H306-Y309 VanDerWaalsContact O-N 3.11Å; H306-F310 AromaticContact NE2-CE2 3.56Å; H306-D393 IonicContact CD2-OD2 2.89Å; H306-D393 IonicContact CE1-OD2 2.88Å; H306-D393 IonicContact NE2-OD2 3.72Å; H306-D393 PolarHBondContact NE2-OD2 3.49Å; H306-H396 AromaticContact CD2-CE1 3.34Å; H306-H396 PolarHBondContact CD2-CE1 3.41Å; H306-H396 AromaticContact CD2-ND1 3.36Å; H306-H396 PolarHBondContact CD2-ND1 3.29Å; H306-H396 AromaticContact CE1-CE1 3.73Å; H306-H396 AromaticContact CE1-ND1 3.77Å; H306-H396 AromaticContact CG-CE1 3.47Å; H306-H396 VanDerWaalsContact CG-CE1 3.47Å; H306-H396 AromaticContact CG-ND1 3.95Å; H306-H396 AromaticContact ND1-CE1 3.75Å; H306-H396 AromaticContact NE2-CE1 3.5Å; H306-H396 PolarHBondContact NE2-CE1 3.17Å; H306-H396 AromaticContact NE2-ND1 3.22Å; H306-H396 PolarHBondContact NE2-ND1 3.41Å |
| 307 | Y | 97.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.2 | -16.7 | -179.5 | -69.9 | -57.7 | 0 | 0 | 0 | 113.9 | T303 Y309 F310 A311 V400 V473 V475 F501 Y503 | T303-Y307 HydrophobicContact CG2-CD2 3.63Å; T303-Y307 HydrophobicContact CG2-CE2 3.37Å; T303-Y307 WeakPolarHBondContact O-CD2 2.94Å; T303-Y307 PolarHBondContact O-N 3.25Å; Y307-Y309 PolarHBondContact O-N 2.81Å; Y307-F310 AromaticContact CD1-CD2 3.92Å; Y307-F310 HydrophobicContact CD1-CD2 3.92Å; Y307-F310 HydrophobicContact CD1-CE2 4.15Å; Y307-F310 HydrophobicContact CD1-CG 4.45Å; Y307-F310 HydrophobicContact CE1-CE2 4.41Å; Y307-F310 WeakPolarHBondContact O-CB 3.41Å; Y307-F310 PolarHBondContact O-N 2.76Å; Y307-F310 VanDerWaalsContact O-N 3.12Å; Y307-A311 PolarHBondContact O-N 3.46Å; Y307-V400 HydrophobicContact CD1-CG1 4.36Å; Y307-V400 HydrophobicContact CD1-CG2 4.44Å; Y307-V400 HydrophobicContact CE1-CG1 4.4Å; Y307-V400 HydrophobicContact CE1-CG2 3.73Å; Y307-V473 HydrophobicContact CD1-CG1 4.1Å; Y307-V473 HydrophobicContact CD2-CG1 4.24Å; Y307-V473 HydrophobicContact CE1-CB 4.36Å; Y307-V473 HydrophobicContact CE1-CG1 3.87Å; Y307-V473 HydrophobicContact CE2-CG1 3.97Å; Y307-V473 HydrophobicContact CE2-CG2 4.44Å; Y307-V473 HydrophobicContact CG-CG1 4.29Å; Y307-V475 HydrophobicContact CD1-CG2 3.92Å; Y307-V475 HydrophobicContact CG-CG2 4.09Å; Y307-V475 VanDerWaalsContact O-CG1 3.31Å; Y307-V475 WeakPolarHBondContact O-CG1 3.49Å; Y307-F501 AromaticContact CD2-CD2 3.36Å; Y307-F501 HydrophobicContact CD2-CD2 3.36Å; Y307-F501 HydrophobicContact CD2-CE1 4.49Å; Y307-F501 AromaticContact CD2-CE2 3.2Å; Y307-F501 HydrophobicContact CD2-CE2 3.2Å; Y307-F501 HydrophobicContact CD2-CG 4.11Å; Y307-F501 AromaticContact CD2-CZ 3.82Å; Y307-F501 HydrophobicContact CD2-CZ 3.82Å; Y307-F501 HydrophobicContact CE2-CD2 4.02Å; Y307-F501 AromaticContact CE2-CE2 3.46Å; Y307-F501 HydrophobicContact CE2-CE2 3.46Å; Y307-F501 VanDerWaalsContact CE2-CE2 3.46Å; Y307-F501 HydrophobicContact CE2-CZ 4.11Å; Y307-F501 AromaticContact CG-CD2 3.85Å; Y307-F501 HydrophobicContact CG-CD2 3.85Å; Y307-F501 HydrophobicContact CG-CE2 4.14Å; Y307-F501 HydrophobicContact CG-CG 4.46Å; Y307-Y503 WeakPolarHBondContact CB-OH 3.13Å |
| 308 | M | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -28.4 | 172.1 | -175.1 | 61.5 | -149.4 | 0 | 0 | 111.9 | I305 H306 F310 A311 Q312 Y503 P671 V674 L675 L678 | I305-M308 WeakPolarHBondContact O-CB 3.1Å; I305-M308 PolarHBondContact O-N 3.32Å; H306-M308 PolarHBondContact O-N 2.93Å; M308-F310 VanDerWaalsContact C-N 3.34Å; M308-A311 HydrophobicContact CE-CB 4.4Å; M308-A311 PolarHBondContact O-N 3.16Å; M308-A311 HydrophobicContact SD-CB 4.22Å; M308-Q312 WeakPolarHBondContact O-CB 3.39Å; M308-Q312 PolarHBondContact O-N 3.33Å; M308-Y503 HydrophobicContact CB-CD1 4.29Å; M308-Y503 HydrophobicContact CB-CE1 3.72Å; M308-Y503 HydrophobicContact CB-CE2 4.3Å; M308-Y503 HydrophobicContact CG-CD1 4.27Å; M308-Y503 HydrophobicContact CG-CE1 4.19Å; M308-Y503 PolarHBondContact N-OH 3.13Å; M308-Y503 HydrophobicContact SD-CD1 3.25Å; M308-Y503 WeakPolarHBondContact SD-CD1 3.36Å; M308-Y503 HydrophobicContact SD-CD2 3.71Å; M308-Y503 HydrophobicContact SD-CE1 3.71Å; M308-Y503 HydrophobicContact SD-CE2 4.13Å; M308-Y503 HydrophobicContact SD-CG 3.25Å; M308-P671 HydrophobicContact CE-CB 3.4Å; M308-P671 WeakPolarHBondContact CE-O 3.47Å; M308-V674 HydrophobicContact CE-CB 4.22Å; M308-V674 HydrophobicContact CE-CG1 4.36Å; M308-V674 HydrophobicContact SD-CB 4.47Å; M308-V674 HydrophobicContact SD-CG1 3.98Å; M308-L675 HydrophobicContact CB-CD1 4.04Å; M308-L675 HydrophobicContact CG-CB 3.88Å; M308-L675 HydrophobicContact CG-CD1 3.91Å; M308-L675 HydrophobicContact CG-CG 4.42Å; M308-L678 HydrophobicContact CB-CD1 4.19Å; M308-L678 HydrophobicContact CG-CD1 4.22Å |
| 309 | Y | 95.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 17% | 0.169 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.8 | -34.8 | 174 | -71.4 | -78.2 | 0 | 0 | 0 | 112.6 | I305 H306 Y307 Q312 G313 L369 L675 K679 | I305-Y309 HydrophobicContact CG2-CE2 4.3Å; I305-Y309 WeakPolarHBondContact O-CD2 3.07Å; H306-Y309 WeakPolarHBondContact O-CB 3Å; H306-Y309 PolarHBondContact O-N 2.84Å; H306-Y309 VanDerWaalsContact O-N 3.11Å; Y307-Y309 PolarHBondContact O-N 2.81Å; Y309-Q312 PolarHBondContact O-N 2.84Å; Y309-G313 PolarHBondContact O-N 3.34Å; Y309-L369 HydrophobicContact CD1-CD1 3.84Å; Y309-L369 HydrophobicContact CE1-CD1 3.3Å; Y309-L369 HydrophobicContact CE2-CD1 4.05Å; Y309-L369 HydrophobicContact CG-CD1 4.39Å; Y309-L675 HydrophobicContact CD1-CD2 3.92Å; Y309-L675 HydrophobicContact CE1-CD1 4.5Å; Y309-L675 HydrophobicContact CE1-CD2 3.59Å; Y309-L675 HydrophobicContact CE2-CD1 4.22Å; Y309-K679 WeakPolarHBondContact OH-CE 3.27Å; Y309-K679 PolarHBondContact OH-NZ 3.44Å |
| 310 | F | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 173.5 | -72.3 | -103.5 | 0 | 0 | 0 | 110.7 | H306 Y307 M308 Q312 G313 A314 L367 I372 F389 A391 D393 V400 S402 V475 | H306-F310 AromaticContact NE2-CE2 3.56Å; Y307-F310 AromaticContact CD1-CD2 3.92Å; Y307-F310 HydrophobicContact CD1-CD2 3.92Å; Y307-F310 HydrophobicContact CD1-CE2 4.15Å; Y307-F310 HydrophobicContact CD1-CG 4.45Å; Y307-F310 HydrophobicContact CE1-CE2 4.41Å; Y307-F310 WeakPolarHBondContact O-CB 3.41Å; Y307-F310 PolarHBondContact O-N 2.76Å; Y307-F310 VanDerWaalsContact O-N 3.12Å; M308-F310 VanDerWaalsContact C-N 3.34Å; F310-Q312 VanDerWaalsContact C-N 3.28Å; F310-Q312 PolarHBondContact O-N 3.4Å; F310-G313 PolarHBondContact O-N 3.24Å; F310-G313 VanDerWaalsContact O-N 3.13Å; F310-A314 PolarHBondContact O-N 3.29Å; F310-A314 VanDerWaalsContact O-N 3.16Å; F310-L367 HydrophobicContact CD1-CD1 4.24Å; F310-L367 HydrophobicContact CD1-CD2 4.14Å; F310-L367 HydrophobicContact CD2-CD2 4.11Å; F310-L367 HydrophobicContact CE1-CD1 4.23Å; F310-L367 HydrophobicContact CE1-CD2 4.36Å; F310-L367 HydrophobicContact CE2-CD2 4.32Å; F310-L367 HydrophobicContact CG-CD2 4.02Å; F310-L367 HydrophobicContact CZ-CD2 4.45Å; F310-I372 HydrophobicContact CE1-CD1 4.24Å; F310-I372 HydrophobicContact CE1-CG2 4.21Å; F310-I372 HydrophobicContact CE2-CD1 3.8Å; F310-I372 HydrophobicContact CZ-CD1 3.39Å; F310-I372 HydrophobicContact CZ-CG1 3.93Å; F310-I372 HydrophobicContact CZ-CG2 4.27Å; F310-F389 HydrophobicContact CB-CZ 4.3Å; F310-F389 AromaticContact CD1-CE2 3.89Å; F310-F389 HydrophobicContact CD1-CE2 3.89Å; F310-F389 HydrophobicContact CD1-CZ 4.03Å; F310-A391 HydrophobicContact CE1-CB 4.07Å; F310-D393 HydrophobicContact CZ-CB 4.13Å; F310-V400 HydrophobicContact CB-CG1 4.37Å; F310-V400 HydrophobicContact CD1-CB 3.94Å; F310-V400 HydrophobicContact CD1-CG1 3.53Å; F310-V400 HydrophobicContact CD1-CG2 4.32Å; F310-V400 HydrophobicContact CE1-CB 3.82Å; F310-V400 HydrophobicContact CE1-CG1 3.92Å; F310-V400 HydrophobicContact CE1-CG2 3.84Å; F310-V400 HydrophobicContact CG-CG1 4Å; F310-V400 HydrophobicContact CZ-CG2 4.11Å; F310-S402 PolarHBondContact O-OG 3.09Å; F310-V475 HydrophobicContact CB-CB 4.43Å; F310-V475 HydrophobicContact CB-CG1 4.11Å; F310-V475 HydrophobicContact CB-CG2 4.48Å |
| 311 | A | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.6 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y307 M308 V475 H477 Y503 | Y307-A311 PolarHBondContact O-N 3.46Å; M308-A311 HydrophobicContact CE-CB 4.4Å; M308-A311 PolarHBondContact O-N 3.16Å; M308-A311 HydrophobicContact SD-CB 4.22Å; A311-V475 HydrophobicContact CB-CG1 3.65Å; A311-H477 HydrophobicContact CB-CB 4.06Å; A311-Y503 HydrophobicContact CB-CD2 3.78Å; A311-Y503 HydrophobicContact CB-CE2 4.2Å |
| 312 | Q | 94.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.8 | -40.8 | 177.2 | -170.6 | -176 | -81.3 | 0 | 0 | 112.4 | M308 Y309 F310 A314 Y315 M319 I323 P671 | M308-Q312 WeakPolarHBondContact O-CB 3.39Å; M308-Q312 PolarHBondContact O-N 3.33Å; Y309-Q312 PolarHBondContact O-N 2.84Å; F310-Q312 VanDerWaalsContact C-N 3.28Å; F310-Q312 PolarHBondContact O-N 3.4Å; Q312-A314 VanDerWaalsContact C-N 3.26Å; Q312-A314 PolarHBondContact O-N 3.21Å; Q312-Y315 PolarHBondContact O-N 3.31Å; Q312-M319 HydrophobicContact CG-CG 4.25Å; Q312-I323 HydrophobicContact CG-CD1 3.67Å; Q312-I323 VanDerWaalsContact OE1-CD1 3.29Å; Q312-P671 HydrophobicContact CG-CB 4.49Å |
| 313 | G | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -31.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y309 F310 Y315 G316 | Y309-G313 PolarHBondContact O-N 3.34Å; F310-G313 PolarHBondContact O-N 3.24Å; F310-G313 VanDerWaalsContact O-N 3.13Å; G313-Y315 PolarHBondContact O-N 3.49Å; G313-G316 PolarHBondContact O-N 2.94Å; G313-G316 VanDerWaalsContact O-N 3.1Å |
| 314 | A | 94.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.033 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F310 Q312 F389 R404 | F310-A314 PolarHBondContact O-N 3.29Å; F310-A314 VanDerWaalsContact O-N 3.16Å; Q312-A314 VanDerWaalsContact C-N 3.26Å; Q312-A314 PolarHBondContact O-N 3.21Å; A314-F389 HydrophobicContact CB-CD1 4.28Å; A314-F389 HydrophobicContact CB-CE1 3.86Å; A314-R404 HydrophobicContact CB-CB 3.96Å; A314-R404 HydrophobicContact CB-CG 4.32Å; A314-R404 WeakPolarHBondContact O-CD 3.31Å; A314-R404 VanDerWaalsContact O-CG 3.26Å; A314-R404 WeakPolarHBondContact O-CG 3.22Å |
| 315 | Y | 91.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.5 | -179.3 | -75.2 | -79.2 | 0 | 0 | 0 | 114.9 | Q312 G313 M319 R404 G405 T406 L407 H477 P671 | Q312-Y315 PolarHBondContact O-N 3.31Å; G313-Y315 PolarHBondContact O-N 3.49Å; Y315-M319 HydrophobicContact CG-CB 4.43Å; Y315-M319 HydrophobicContact CG-CE 4.46Å; Y315-R404 HydrophobicContact CD1-CG 4.09Å; Y315-R404 HydrophobicContact CE1-CG 4.36Å; Y315-R404 HydrophobicContact CG-CG 4.46Å; Y315-G405 WeakPolarHBondContact CE1-O 3.47Å; Y315-G405 WeakPolarHBondContact OH-CA 3.36Å; Y315-T406 PolarHBondContact OH-O 2.86Å; Y315-L407 HydrophobicContact CD1-CD1 4.15Å; Y315-L407 HydrophobicContact CD1-CD2 3.24Å; Y315-L407 HydrophobicContact CD1-CG 3.51Å; Y315-L407 HydrophobicContact CE1-CD2 3.45Å; Y315-L407 VanDerWaalsContact CE1-CD2 3.45Å; Y315-L407 HydrophobicContact CE1-CG 3.73Å; Y315-L407 HydrophobicContact CG-CD2 4.12Å; Y315-H477 HydrophobicContact CE2-CB 4.07Å; Y315-H477 AromaticContact CE2-ND1 3.64Å; Y315-H477 AromaticContact CZ-ND1 3.65Å; Y315-H477 PolarHBondContact OH-ND1 3.13Å; Y315-P671 HydrophobicContact CD2-CG 4.46Å; Y315-P671 HydrophobicContact CE2-CG 4.33Å |
| 316 | G | 91.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | 67.9 | -153.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G313 P318 M319 Y320 | G313-G316 PolarHBondContact O-N 2.94Å; G313-G316 VanDerWaalsContact O-N 3.1Å; G316-P318 VanDerWaalsContact C-CD 3.46Å; G316-M319 PolarHBondContact O-N 3.04Å; G316-Y320 PolarHBondContact O-N 3.48Å | ||
| 317 | W | 88.8 | Confident | 88.9 | Confident | 109 Ų | 109 | 37.8 Ų | 37.8 | 41% | 0.413 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.1 | -35.1 | -168.5 | 76.7 | -92.9 | 0 | 0 | 0 | 115.5 | M319 Y320 V321 L331 C358 A362 | W317-M319 VanDerWaalsContact C-N 3.3Å; W317-M319 PolarHBondContact O-N 3.43Å; W317-Y320 PolarHBondContact O-N 3.25Å; W317-V321 HydrophobicContact CE3-CG2 3.98Å; W317-V321 HydrophobicContact CZ3-CG2 4.46Å; W317-V321 WeakPolarHBondContact O-CG2 3.43Å; W317-V321 PolarHBondContact O-N 3.49Å; W317-L331 HydrophobicContact CB-CD2 4Å; W317-C358 HydrophobicContact CB-CB 3.94Å; W317-C358 VanDerWaalsContact CD1-CB 3.47Å; W317-C358 HydrophobicContact CG-CB 3.73Å; W317-A362 VanDerWaalsContact CA-CB 3.45Å; W317-A362 HydrophobicContact CB-CB 3.9Å |
| 318 | P | 86.6 | Confident | 88 | Confident | 36 Ų | 36 | 42 Ų | 42 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | -178.7 | -23.2 | 35.2 | 0 | 0 | 0 | 111.4 | G316 I322 L407 | G316-P318 VanDerWaalsContact C-CD 3.46Å; P318-I322 WeakPolarHBondContact O-CD1 3.31Å; P318-I322 VanDerWaalsContact O-CG1 3.25Å; P318-I322 WeakPolarHBondContact O-CG1 3.41Å; P318-I322 PolarHBondContact O-N 3.22Å; P318-I322 VanDerWaalsContact O-N 3.08Å; P318-L407 HydrophobicContact CB-CD1 4.5Å |
| 319 | M | 86.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.9 | -42.5 | 177.1 | -171.9 | 57.2 | 66.9 | 0 | 0 | 111.1 | Q312 Y315 G316 W317 V321 I322 I323 L407 P671 | Q312-M319 HydrophobicContact CG-CG 4.25Å; Y315-M319 HydrophobicContact CG-CB 4.43Å; Y315-M319 HydrophobicContact CG-CE 4.46Å; G316-M319 PolarHBondContact O-N 3.04Å; W317-M319 VanDerWaalsContact C-N 3.3Å; W317-M319 PolarHBondContact O-N 3.43Å; M319-V321 VanDerWaalsContact C-N 3.27Å; M319-V321 PolarHBondContact O-N 2.97Å; M319-I322 PolarHBondContact O-N 3.28Å; M319-I322 VanDerWaalsContact O-N 3.14Å; M319-I323 HydrophobicContact CG-CD1 3.71Å; M319-I323 HydrophobicContact CG-CG1 4.33Å; M319-I323 VanDerWaalsContact O-CG1 3.26Å; M319-I323 WeakPolarHBondContact O-CG1 3.44Å; M319-I323 PolarHBondContact O-N 2.91Å; M319-I323 HydrophobicContact SD-CD1 3.91Å; M319-I323 HydrophobicContact SD-CG1 4.1Å; M319-L407 HydrophobicContact CE-CD2 3.58Å; M319-P671 HydrophobicContact CE-CG 3.54Å; M319-P671 HydrophobicContact CG-CG 4.28Å; M319-P671 HydrophobicContact SD-CG 3.76Å |
| 320 | Y | 88.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.4 | -44.5 | 175.5 | -176.7 | -88.2 | 0 | 0 | 0 | 112.1 | G316 W317 I323 N324 L331 A362 K365 | G316-Y320 PolarHBondContact O-N 3.48Å; W317-Y320 PolarHBondContact O-N 3.25Å; Y320-I323 PolarHBondContact O-N 2.87Å; Y320-N324 HydrophobicContact CD1-CB 4.48Å; Y320-N324 HydrophobicContact CE1-CB 4.16Å; Y320-N324 WeakPolarHBondContact CE2-ND2 3.1Å; Y320-N324 VanDerWaalsContact O-CB 3.25Å; Y320-N324 WeakPolarHBondContact O-CB 3.39Å; Y320-N324 PolarHBondContact O-N 3.35Å; Y320-N324 PolarHBondContact O-ND2 2.99Å; Y320-L331 HydrophobicContact CD1-CB 4.33Å; Y320-L331 HydrophobicContact CD1-CD1 4.46Å; Y320-L331 HydrophobicContact CD1-CD2 4.23Å; Y320-L331 HydrophobicContact CE1-CB 3.94Å; Y320-L331 HydrophobicContact CE1-CD1 4.47Å; Y320-A362 HydrophobicContact CG-CB 4.29Å; Y320-K365 HydrophobicContact CD2-CB 4.5Å; Y320-K365 HydrophobicContact CE2-CB 3.86Å; Y320-K365 HydrophobicContact CE2-CG 3.6Å; Y320-K365 VanDerWaalsContact OH-CG 3.3Å; Y320-K365 WeakPolarHBondContact OH-CG 3.48Å |
| 321 | V | 87.4 | Confident | 86 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -40.9 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | W317 M319 I323 N324 R325 M328 | W317-V321 HydrophobicContact CE3-CG2 3.98Å; W317-V321 HydrophobicContact CZ3-CG2 4.46Å; W317-V321 WeakPolarHBondContact O-CG2 3.43Å; W317-V321 PolarHBondContact O-N 3.49Å; M319-V321 VanDerWaalsContact C-N 3.27Å; M319-V321 PolarHBondContact O-N 2.97Å; V321-I323 PolarHBondContact O-N 3.27Å; V321-N324 CarbonylContact O-C 3.48Å; V321-N324 PolarHBondContact O-N 2.97Å; V321-R325 WeakPolarHBondContact O-CA 3.39Å; V321-R325 WeakPolarHBondContact O-CG 3.1Å; V321-R325 PolarHBondContact O-N 3.45Å; V321-R325 VanDerWaalsContact O-N 3.16Å; V321-M328 HydrophobicContact CB-SD 4.21Å; V321-M328 HydrophobicContact CG1-CG 4.33Å; V321-M328 HydrophobicContact CG1-SD 3.46Å; V321-M328 WeakPolarHBondContact CG1-SD 3.49Å; V321-M328 HydrophobicContact CG2-CG 3.85Å; V321-M328 HydrophobicContact CG2-SD 3.67Å |
| 322 | I | 82.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 29% | 0.292 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 178 | -72.9 | 166.3 | 0 | 0 | 0 | 111.3 | P318 M319 R325 | P318-I322 WeakPolarHBondContact O-CD1 3.31Å; P318-I322 VanDerWaalsContact O-CG1 3.25Å; P318-I322 WeakPolarHBondContact O-CG1 3.41Å; P318-I322 PolarHBondContact O-N 3.22Å; P318-I322 VanDerWaalsContact O-N 3.08Å; M319-I322 PolarHBondContact O-N 3.28Å; M319-I322 VanDerWaalsContact O-N 3.14Å; I322-R325 WeakPolarHBondContact O-CG 3.26Å |
| 323 | I | 83.6 | Confident | 84.7 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 27% | 0.272 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.7 | -45.4 | -178.9 | -64.4 | 177.8 | 0 | 0 | 0 | 110.9 | Q312 M319 Y320 V321 D672 | Q312-I323 HydrophobicContact CG-CD1 3.67Å; Q312-I323 VanDerWaalsContact OE1-CD1 3.29Å; M319-I323 HydrophobicContact CG-CD1 3.71Å; M319-I323 HydrophobicContact CG-CG1 4.33Å; M319-I323 VanDerWaalsContact O-CG1 3.26Å; M319-I323 WeakPolarHBondContact O-CG1 3.44Å; M319-I323 PolarHBondContact O-N 2.91Å; M319-I323 HydrophobicContact SD-CD1 3.91Å; M319-I323 HydrophobicContact SD-CG1 4.1Å; Y320-I323 PolarHBondContact O-N 2.87Å; V321-I323 PolarHBondContact O-N 3.27Å; I323-D672 HydrophobicContact CD1-CB 3.8Å; I323-D672 HydrophobicContact CG1-CB 3.62Å |
| 324 | N | 83.4 | Confident | 84.2 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | trans | -104.2 | 45.9 | -173.5 | -62 | -66.9 | 0 | 0 | 0 | 112 | Y320 V321 S326 K327 M328 | Y320-N324 HydrophobicContact CD1-CB 4.48Å; Y320-N324 HydrophobicContact CE1-CB 4.16Å; Y320-N324 WeakPolarHBondContact CE2-ND2 3.1Å; Y320-N324 VanDerWaalsContact O-CB 3.25Å; Y320-N324 WeakPolarHBondContact O-CB 3.39Å; Y320-N324 PolarHBondContact O-N 3.35Å; Y320-N324 PolarHBondContact O-ND2 2.99Å; V321-N324 CarbonylContact O-C 3.48Å; V321-N324 PolarHBondContact O-N 2.97Å; N324-S326 PolarHBondContact O-N 3.41Å; N324-S326 VanDerWaalsContact O-N 3.15Å; N324-K327 HydrophobicContact CB-CB 4.12Å; N324-K327 CarbonylContact O-C 3.42Å; N324-K327 VanDerWaalsContact O-C 3.3Å; N324-K327 WeakPolarHBondContact O-CA 3.39Å; N324-K327 PolarHBondContact O-N 3.33Å; N324-M328 PolarHBondContact O-N 3.03Å | ||
| 325 | R | 78.6 | Confident | 83.6 | Confident | 163 Ų | 163 | 66 Ų | 66 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -52.4 | -40.7 | -176 | -69.7 | -177.9 | 177.6 | -152.3 | -7.7 | 113.5 | V321 I322 K327 | V321-R325 WeakPolarHBondContact O-CA 3.39Å; V321-R325 WeakPolarHBondContact O-CG 3.1Å; V321-R325 PolarHBondContact O-N 3.45Å; V321-R325 VanDerWaalsContact O-N 3.16Å; I322-R325 WeakPolarHBondContact O-CG 3.26Å; R325-K327 VanDerWaalsContact C-N 3.29Å; R325-K327 PolarHBondContact O-N 3.34Å |
| 326 | S | 74.8 | Confident | 82.9 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -86.6 | 6.5 | 179 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | N324 W329 | N324-S326 PolarHBondContact O-N 3.41Å; N324-S326 VanDerWaalsContact O-N 3.15Å; S326-W329 WeakPolarHBondContact O-CH2 3.45Å; S326-W329 WeakPolarHBondContact O-CZ2 3.43Å |
| 327 | K | 80.1 | Confident | 81.6 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -141 | 20.4 | -174.5 | -75.3 | -172.1 | -175.5 | -177.2 | 0 | 112 | N324 R325 W329 H330 | N324-K327 HydrophobicContact CB-CB 4.12Å; N324-K327 CarbonylContact O-C 3.42Å; N324-K327 VanDerWaalsContact O-C 3.3Å; N324-K327 WeakPolarHBondContact O-CA 3.39Å; N324-K327 PolarHBondContact O-N 3.33Å; R325-K327 VanDerWaalsContact C-N 3.29Å; R325-K327 PolarHBondContact O-N 3.34Å; K327-W329 PolarHBondContact O-N 3.41Å; K327-H330 WeakPolarHBondContact O-CB 3.18Å; K327-H330 PolarHBondContact O-CD2 3.41Å; K327-H330 PolarHBondContact O-N 3.31Å |
| 328 | M | 79 | Confident | 79.9 | Confident | 95 Ų | 95 | 78.5 Ų | 78.5 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -60.6 | -33.7 | -176.2 | 177.5 | 169.4 | 71.2 | 0 | 0 | 112.4 | V321 N324 H330 L331 | V321-M328 HydrophobicContact CB-SD 4.21Å; V321-M328 HydrophobicContact CG1-CG 4.33Å; V321-M328 HydrophobicContact CG1-SD 3.46Å; V321-M328 WeakPolarHBondContact CG1-SD 3.49Å; V321-M328 HydrophobicContact CG2-CG 3.85Å; V321-M328 HydrophobicContact CG2-SD 3.67Å; N324-M328 PolarHBondContact O-N 3.03Å; M328-H330 PolarHBondContact O-N 2.91Å; M328-L331 WeakPolarHBondContact O-CB 3.33Å; M328-L331 PolarHBondContact O-N 3.26Å |
| 329 | W | 79.3 | Confident | 78 | Confident | 160 Ų | 160 | 80.8 Ų | 80.8 | 61% | 0.606 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.1 | -20 | 176.2 | 46.7 | 84 | 0 | 0 | 0 | 114 | S326 K327 L331 V332 P333 | S326-W329 WeakPolarHBondContact O-CH2 3.45Å; S326-W329 WeakPolarHBondContact O-CZ2 3.43Å; K327-W329 PolarHBondContact O-N 3.41Å; W329-L331 PolarHBondContact O-N 3.42Å; W329-V332 WeakPolarHBondContact O-CB 3.24Å; W329-V332 PolarHBondContact O-N 3.04Å; W329-V332 VanDerWaalsContact O-N 3.09Å; W329-P333 WeakPolarHBondContact O-CD 3.32Å |
| 330 | H | 83.3 | Confident | 75.8 | Confident | 87 Ų | 87 | 86 Ų | 86 | 40% | 0.403 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -67.7 | -11.9 | 173.6 | -71.4 | -81.7 | 0 | 0 | 0 | 113.5 | K327 M328 K365 | K327-H330 WeakPolarHBondContact O-CB 3.18Å; K327-H330 PolarHBondContact O-CD2 3.41Å; K327-H330 PolarHBondContact O-N 3.31Å; M328-H330 PolarHBondContact O-N 2.91Å; H330-K365 WeakPolarHBondContact O-CE 3.5Å |
| 331 | L | 84.4 | Confident | 73.7 | Confident | 11 Ų | 11 | 91.7 Ų | 91.7 | 6% | 0.058 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -81 | -27.6 | 172 | -170.8 | 62.8 | 0 | 0 | 0 | 112.1 | W317 Y320 M328 W329 P333 E334 L335 A361 A362 | W317-L331 HydrophobicContact CB-CD2 4Å; Y320-L331 HydrophobicContact CD1-CB 4.33Å; Y320-L331 HydrophobicContact CD1-CD1 4.46Å; Y320-L331 HydrophobicContact CD1-CD2 4.23Å; Y320-L331 HydrophobicContact CE1-CB 3.94Å; Y320-L331 HydrophobicContact CE1-CD1 4.47Å; M328-L331 WeakPolarHBondContact O-CB 3.33Å; M328-L331 PolarHBondContact O-N 3.26Å; W329-L331 PolarHBondContact O-N 3.42Å; L331-P333 VanDerWaalsContact C-CD 3.48Å; L331-E334 PolarHBondContact O-N 2.99Å; L331-L335 HydrophobicContact CG-CD2 4.23Å; L331-A361 HydrophobicContact CD1-CB 3.97Å; L331-A362 HydrophobicContact CD1-CB 3.98Å |
| 332 | V | 81.9 | Confident | 71.6 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -56.2 | -42.5 | -173.7 | 177.4 | 0 | 0 | 0 | 0 | 113.3 | W329 E334 L335 | W329-V332 WeakPolarHBondContact O-CB 3.24Å; W329-V332 PolarHBondContact O-N 3.04Å; W329-V332 VanDerWaalsContact O-N 3.09Å; V332-E334 PolarHBondContact O-N 3.25Å; V332-L335 PolarHBondContact O-N 2.99Å |
| 333 | P | 81.8 | Confident | 69.9 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -64.9 | -20.6 | 178.2 | -21.9 | 34.2 | 0 | 0 | 0 | 114.6 | W329 L331 | W329-P333 WeakPolarHBondContact O-CD 3.32Å; L331-P333 VanDerWaalsContact C-CD 3.48Å |
| 334 | E | 81.7 | Confident | 67.9 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 25% | 0.248 | 56% | 0.561 | C | S | . | * | G | 310 helix | trans | -92 | -8.6 | -178 | -53.1 | -79.3 | 176.2 | 0 | 0 | 111.7 | L331 V332 A361 K365 Q368 | L331-E334 PolarHBondContact O-N 2.99Å; V332-E334 PolarHBondContact O-N 3.25Å; E334-A361 HydrophobicContact CB-CB 3.77Å; E334-A361 WeakPolarHBondContact O-CB 3.46Å; E334-K365 HydrophobicContact CG-CD 4.35Å; E334-K365 IonicContact OE1-NZ 2.82Å; E334-K365 PolarHBondContact OE1-NZ 2.81Å; E334-Q368 PolarHBondContact OE1-NE2 3.16Å |
| 335 | L | 82.3 | Confident | 66.2 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 28% | 0.277 | 59% | 0.59 | S | S | . | * | trans | -80.2 | 139.4 | -179.1 | -61.5 | 179.7 | 0 | 0 | 0 | 111.4 | L331 V332 C337 C358 A361 | L331-L335 HydrophobicContact CG-CD2 4.23Å; V332-L335 PolarHBondContact O-N 2.99Å; L335-C337 PolarHBondContact O-N 3.02Å; L335-C358 HydrophobicContact CD2-CB 4Å; L335-C358 VanDerWaalsContact CD2-SG 3.55Å; L335-A361 HydrophobicContact CD2-CB 4.02Å | ||
| 336 | K | 76.2 | Confident | 65.2 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 54% | 0.543 | 58% | 0.575 | S | S | . | * | trans | -88.8 | 7.5 | 179.2 | -63.7 | -162.1 | -176.5 | 172 | 0 | 115 | F338 C356 L357 | K336-F338 PolarHBondContact O-N 3.28Å; K336-C356 PolarHBondContact N-O 2.9Å; K336-C356 VanDerWaalsContact N-O 3.15Å; K336-L357 HydrophobicContact CD-CD1 3.6Å; K336-L357 HydrophobicContact CD-CG 4.41Å; K336-L357 HydrophobicContact CG-CD1 4.26Å | ||
| 337 | C | 63.5 | Low | 65 | Low | 52 Ų | 52 | 98.9 Ų | 98.9 | 35% | 0.351 | 58% | 0.577 | S | S | . | * | trans | -82.7 | 0.6 | -164.9 | -107.3 | 0 | 0 | 0 | 0 | 117.7 | L335 C356 | L335-C337 PolarHBondContact O-N 3.02Å; C337-C356 HydrophobicContact CB-CB 3.59Å; C337-C356 WeakPolarHBondContact CB-SG 3.25Å; C337-C356 WeakPolarHBondContact SG-CA 3.31Å; C337-C356 WeakPolarHBondContact SG-CB 3.29Å; C337-C356 CovalentContact SG-SG 2.01Å; C337-C356 PolarHBondContact SG-SG 2.86Å | ||
| 338 | F | 53.1 | Low | 65.1 | Low | 202 Ų | 202 | 94.3 Ų | 94.3 | 89% | 0.886 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -129.9 | 115 | 173.3 | -78.5 | -88.6 | 0 | 0 | 0 | 109.1 | K336 | K336-F338 PolarHBondContact O-N 3.28Š|
| 339 | G | 46.8 | Very low | 65.6 | Low | 83 Ų | 83 | 93.2 Ų | 93.2 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | trans | -63.9 | 138.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 340 | C | 40.3 | Very low | 66.1 | Low | 114 Ų | 114 | 87.7 Ų | 87.7 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | -155.2 | 137.8 | 121.8 | -147.2 | 0 | 0 | 0 | 0 | 107.9 | C342 | C340-C342 PolarHBondContact O-N 3.36Š| |||
| 341 | C | 44 | Very low | 66.4 | Low | 137 Ų | 137 | 85.4 Ų | 85.4 | 93% | 0.926 | 53% | 0.527 | S | S | * | . | trans | -70.2 | 59.9 | -179.5 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 342 | C | 43.2 | Very low | 66.3 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 75% | 0.75 | 55% | 0.552 | S | S | * | * | trans | -127.3 | 102.8 | 171.4 | -63 | 0 | 0 | 0 | 0 | 107.5 | C340 | C340-C342 PolarHBondContact O-N 3.36Š| ||
| 343 | G | 45.7 | Very low | 66.4 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 78% | 0.784 | 53% | 0.532 | S | S | * | . | trans | -79.3 | 168 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 344 | T | 43.2 | Very low | 66.5 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | trans | -109.7 | 124 | 130.6 | 44 | 0 | 0 | 0 | 0 | 105.8 | D346 | T344-D346 PolarHBondContact O-N 3.37Š| ||
| 345 | S | 46.6 | Very low | 66.5 | Low | 124 Ų | 124 | 88 Ų | 88 | 87% | 0.867 | 54% | 0.538 | S | S | * | . | trans | -67.3 | 69 | 160.9 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | D347 | S345-D347 VanDerWaalsContact C-N 3.31Å; S345-D347 PolarHBondContact O-N 2.96Å | ||
| 346 | D | 58.2 | Low | 66.5 | Low | 56 Ų | 56 | 86.6 Ų | 86.6 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | trans | -65.4 | 105.8 | 158.7 | -101.8 | -19.9 | 0 | 0 | 0 | 103.6 | T344 T348 Y360 K364 | T344-D346 PolarHBondContact O-N 3.37Å; D346-T348 PolarHBondContact O-N 3.3Å; D346-Y360 PolarHBondContact OD2-OH 3.32Å; D346-K364 IonicContact OD2-NZ 2.76Å; D346-K364 PolarHBondContact OD2-NZ 3.38Å | ||
| 347 | D | 70.6 | Confident | 67.1 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 66% | 0.658 | 52% | 0.515 | S | S | * | . | trans | -68.3 | 29.1 | 172.4 | -173 | 45.9 | 0 | 0 | 0 | 110.8 | S345 R461 | S345-D347 VanDerWaalsContact C-N 3.31Å; S345-D347 PolarHBondContact O-N 2.96Å; D347-R461 PolarHBondContact O-NH1 3.3Å; D347-R461 PolarHBondContact O-NH2 3.32Å; D347-R461 IonicContact OD2-CZ 3.23Å; D347-R461 IonicContact OD2-NH1 2.77Å; D347-R461 PolarHBondContact OD2-NH1 3.02Å | ||
| 348 | T | 82.6 | Confident | 68.3 | Low | 18 Ų | 18 | 81 Ų | 81 | 11% | 0.11 | 51% | 0.505 | C | S | . | . | trans | -91.8 | 125.9 | -179.2 | -55 | 0 | 0 | 0 | 0 | 108.4 | D346 V350 Y360 I374 | D346-T348 PolarHBondContact O-N 3.3Å; T348-V350 HydrophobicContact CG2-CG2 4.08Å; T348-V350 PolarHBondContact O-N 2.7Å; T348-Y360 WeakPolarHBondContact CB-OH 3.41Å; T348-Y360 HydrophobicContact CG2-CE2 3.63Å; T348-Y360 PolarHBondContact OG1-OH 3.38Å; T348-I374 WeakPolarHBondContact CB-O 3.36Å; T348-I374 HydrophobicContact CG2-CB 4.13Å; T348-I374 HydrophobicContact CG2-CG2 3.81Å; T348-I374 WeakPolarHBondContact CG2-O 3.24Å; T348-I374 PolarHBondContact OG1-O 3.19Å | ||
| 349 | E | 89 | Confident | 70.1 | Confident | 72 Ų | 72 | 72.4 Ų | 72.4 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.9 | 176.8 | -172.9 | 170.8 | -178 | 0 | 0 | 110.2 | I351 V375 Y376 A377 R457 | E349-I351 HydrophobicContact CG-CG1 4.37Å; E349-V375 PolarHBondContact N-O 2.69Å; E349-V375 VanDerWaalsContact N-O 3.12Å; E349-Y376 HydrophobicContact CB-CD2 4.13Å; E349-Y376 HydrophobicContact CG-CD2 4.14Å; E349-Y376 HydrophobicContact CG-CE2 4.48Å; E349-Y376 CarbonylContact O-C 3.59Å; E349-Y376 WeakPolarHBondContact O-CA 3.49Å; E349-A377 PolarHBondContact O-N 2.71Å; E349-R457 IonicContact OE2-CZ 3.99Å; E349-R457 IonicContact OE2-NH1 2.85Å; E349-R457 PolarHBondContact OE2-NH1 3.25Å; E349-R457 IonicContact OE2-NH2 3.73Å; E349-R457 PolarHBondContact OE2-NH2 3.06Å |
| 350 | V | 90.3 | Very high | 72.2 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.5 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | T348 D353 L357 Y360 A377 Y379 | T348-V350 HydrophobicContact CG2-CG2 4.08Å; T348-V350 PolarHBondContact O-N 2.7Å; V350-D353 HydrophobicContact CG1-CB 3.92Å; V350-L357 HydrophobicContact CG1-CD2 4.36Å; V350-Y360 HydrophobicContact CG2-CD1 4.36Å; V350-Y360 HydrophobicContact CG2-CD2 3.61Å; V350-Y360 HydrophobicContact CG2-CE2 3.84Å; V350-Y360 HydrophobicContact CG2-CG 3.89Å; V350-A377 CarbonylContact C-O 3.6Å; V350-A377 WeakPolarHBondContact CA-O 3.39Å; V350-Y379 HydrophobicContact CG1-CD2 4.31Å; V350-Y379 HydrophobicContact CG1-CE2 4.03Å |
| 351 | I | 88.6 | Confident | 74.7 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.195 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.4 | -176.3 | -59.6 | -173.3 | 0 | 0 | 0 | 110.7 | E349 D353 Y376 A377 Y379 | E349-I351 HydrophobicContact CG-CG1 4.37Å; I351-D353 PolarHBondContact O-N 3.04Å; I351-Y376 HydrophobicContact CD1-CE2 3.53Å; I351-Y376 HydrophobicContact CG1-CE2 4.12Å; I351-A377 PolarHBondContact N-O 2.74Å; I351-Y379 PolarHBondContact O-N 3.46Å |
| 352 | Q | 83 | Confident | 76.9 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 54 | 40.5 | 171 | -65.2 | -173.4 | 9.4 | 0 | 0 | 115.7 | H380 | Q352-H380 HydrophobicContact CB-CB 4.49Å; Q352-H380 VanDerWaalsContact OE1-CB 3.29Å; Q352-H380 VanDerWaalsContact OE1-CG 3.3Å; Q352-H380 PolarHBondContact OE1-ND1 3.45Å |
| 353 | D | 84.8 | Confident | 79.3 | Confident | 29 Ų | 29 | 52 Ų | 52 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | trans | -78 | 170.2 | 166 | -155 | -8.1 | 0 | 0 | 0 | 111.4 | V350 I351 L357 N359 Y360 Y379 | V350-D353 HydrophobicContact CG1-CB 3.92Å; I351-D353 PolarHBondContact O-N 3.04Å; D353-L357 HydrophobicContact CB-CD2 3.71Å; D353-L357 WeakPolarHBondContact OD2-CA 3.15Å; D353-N359 VanDerWaalsContact OD1-CB 3.29Å; D353-N359 WeakPolarHBondContact OD1-CB 3.47Å; D353-N359 PolarHBondContact OD1-N 3Å; D353-N359 PolarHBondContact OD1-ND2 3.46Å; D353-N359 PolarHBondContact OD2-N 3.43Å; D353-Y360 WeakPolarHBondContact OD2-CB 3.41Å; D353-Y360 PolarHBondContact OD2-N 3.24Å; D353-Y379 HydrophobicContact CB-CD2 3.64Å; D353-Y379 HydrophobicContact CB-CE2 4.1Å | ||
| 354 | N | 83.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | trans | -67.9 | 166.5 | 172.5 | 63.3 | 71.4 | 0 | 0 | 0 | 111.9 | C356 L357 C358 N359 | N354-C356 PolarHBondContact O-N 3.04Å; N354-C356 PolarHBondContact OD1-N 3.09Å; N354-C356 VanDerWaalsContact OD1-N 3.11Å; N354-L357 PolarHBondContact O-N 2.74Å; N354-L357 PolarHBondContact OD1-N 3.46Å; N354-C358 VanDerWaalsContact ND2-CB 3.32Å; N354-C358 WeakPolarHBondContact ND2-CB 3.42Å; N354-C358 PolarHBondContact ND2-N 2.99Å; N354-C358 PolarHBondContact OD1-N 2.94Å; N354-C358 PolarHBondContact OD1-SG 2.8Å; N354-N359 PolarHBondContact ND2-ND2 3.5Å | ||
| 355 | C | 81.5 | Confident | 83.7 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 82% | 0.818 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.8 | -175.5 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 356 | C | 82.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.5 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 113.6 | K336 C337 N354 C358 | K336-C356 PolarHBondContact N-O 2.9Å; K336-C356 VanDerWaalsContact N-O 3.15Å; C337-C356 HydrophobicContact CB-CB 3.59Å; C337-C356 WeakPolarHBondContact CB-SG 3.25Å; C337-C356 WeakPolarHBondContact SG-CA 3.31Å; C337-C356 WeakPolarHBondContact SG-CB 3.29Å; C337-C356 CovalentContact SG-SG 2.01Å; C337-C356 PolarHBondContact SG-SG 2.86Å; N354-C356 PolarHBondContact O-N 3.04Å; N354-C356 PolarHBondContact OD1-N 3.09Å; N354-C356 VanDerWaalsContact OD1-N 3.11Å; C356-C358 WeakPolarHBondContact CB-SG 3.41Å; C356-C358 PolarHBondContact O-N 3.42Å |
| 357 | L | 87.6 | Confident | 87.3 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | trans | 51.1 | 36.7 | -166.9 | -56.5 | -174.5 | 0 | 0 | 0 | 113.2 | K336 V350 D353 N354 N359 Y360 A361 | K336-L357 HydrophobicContact CD-CD1 3.6Å; K336-L357 HydrophobicContact CD-CG 4.41Å; K336-L357 HydrophobicContact CG-CD1 4.26Å; V350-L357 HydrophobicContact CG1-CD2 4.36Å; D353-L357 HydrophobicContact CB-CD2 3.71Å; D353-L357 WeakPolarHBondContact OD2-CA 3.15Å; N354-L357 PolarHBondContact O-N 2.74Å; N354-L357 PolarHBondContact OD1-N 3.46Å; L357-N359 PolarHBondContact O-N 3.29Å; L357-Y360 PolarHBondContact O-N 2.88Å; L357-A361 VanDerWaalsContact O-CB 3.3Å; L357-A361 WeakPolarHBondContact O-CB 3.23Å; L357-A361 PolarHBondContact O-N 3.47Å | ||
| 358 | C | 88.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -35.1 | -174.5 | -59 | 0 | 0 | 0 | 0 | 112.4 | W317 L335 N354 C356 A362 | W317-C358 HydrophobicContact CB-CB 3.94Å; W317-C358 VanDerWaalsContact CD1-CB 3.47Å; W317-C358 HydrophobicContact CG-CB 3.73Å; L335-C358 HydrophobicContact CD2-CB 4Å; L335-C358 VanDerWaalsContact CD2-SG 3.55Å; N354-C358 VanDerWaalsContact ND2-CB 3.32Å; N354-C358 WeakPolarHBondContact ND2-CB 3.42Å; N354-C358 PolarHBondContact ND2-N 2.99Å; N354-C358 PolarHBondContact OD1-N 2.94Å; N354-C358 PolarHBondContact OD1-SG 2.8Å; C356-C358 WeakPolarHBondContact CB-SG 3.41Å; C356-C358 PolarHBondContact O-N 3.42Å; C358-A362 VanDerWaalsContact O-CB 3.29Å; C358-A362 WeakPolarHBondContact O-CB 3.43Å; C358-A362 PolarHBondContact O-N 2.89Å |
| 359 | N | 91.1 | Very high | 87.4 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.6 | -43.9 | -178.1 | -64.3 | -59 | 0 | 0 | 0 | 110.4 | D353 N354 L357 A362 L363 Y379 | D353-N359 VanDerWaalsContact OD1-CB 3.29Å; D353-N359 WeakPolarHBondContact OD1-CB 3.47Å; D353-N359 PolarHBondContact OD1-N 3Å; D353-N359 PolarHBondContact OD1-ND2 3.46Å; D353-N359 PolarHBondContact OD2-N 3.43Å; N354-N359 PolarHBondContact ND2-ND2 3.5Å; L357-N359 PolarHBondContact O-N 3.29Å; N359-A362 PolarHBondContact O-N 3.26Å; N359-L363 WeakPolarHBondContact O-CB 3.34Å; N359-L363 PolarHBondContact O-N 3.16Å; N359-Y379 VanDerWaalsContact C-OH 3.29Å; N359-Y379 HydrophobicContact CB-CD1 3.62Å; N359-Y379 HydrophobicContact CB-CD2 4.09Å; N359-Y379 HydrophobicContact CB-CE1 3.34Å; N359-Y379 HydrophobicContact CB-CE2 3.81Å; N359-Y379 HydrophobicContact CB-CG 3.99Å; N359-Y379 VanDerWaalsContact CB-CZ 3.43Å; N359-Y379 PolarHBondContact O-OH 3.08Å |
| 360 | Y | 92.3 | Very high | 86.9 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.4 | -177.3 | -105 | 0 | 0 | 0 | 112.4 | D346 T348 V350 D353 L357 A362 L363 K364 I374 A377 Y379 | D346-Y360 PolarHBondContact OD2-OH 3.32Å; T348-Y360 WeakPolarHBondContact CB-OH 3.41Å; T348-Y360 HydrophobicContact CG2-CE2 3.63Å; T348-Y360 PolarHBondContact OG1-OH 3.38Å; V350-Y360 HydrophobicContact CG2-CD1 4.36Å; V350-Y360 HydrophobicContact CG2-CD2 3.61Å; V350-Y360 HydrophobicContact CG2-CE2 3.84Å; V350-Y360 HydrophobicContact CG2-CG 3.89Å; D353-Y360 WeakPolarHBondContact OD2-CB 3.41Å; D353-Y360 PolarHBondContact OD2-N 3.24Å; L357-Y360 PolarHBondContact O-N 2.88Å; Y360-A362 VanDerWaalsContact C-N 3.29Å; Y360-A362 PolarHBondContact O-N 3.11Å; Y360-L363 WeakPolarHBondContact O-CB 3.36Å; Y360-L363 PolarHBondContact O-N 3.12Å; Y360-K364 WeakPolarHBondContact O-CB 3.39Å; Y360-K364 PolarHBondContact O-N 3.14Å; Y360-I374 HydrophobicContact CE2-CB 4.27Å; Y360-I374 HydrophobicContact CE2-CD1 3.97Å; Y360-I374 HydrophobicContact CE2-CG2 4.02Å; Y360-A377 HydrophobicContact CD2-CB 4.34Å; Y360-Y379 VanDerWaalsContact CA-OH 3.26Å; Y360-Y379 WeakPolarHBondContact CA-OH 3.15Å; Y360-Y379 PolarHBondContact N-OH 3.37Å |
| 361 | A | 91 | Very high | 87 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L331 E334 L335 L357 K365 | L331-A361 HydrophobicContact CD1-CB 3.97Å; E334-A361 HydrophobicContact CB-CB 3.77Å; E334-A361 WeakPolarHBondContact O-CB 3.46Å; L335-A361 HydrophobicContact CD2-CB 4.02Å; L357-A361 VanDerWaalsContact O-CB 3.3Å; L357-A361 WeakPolarHBondContact O-CB 3.23Å; L357-A361 PolarHBondContact O-N 3.47Å; A361-K365 WeakPolarHBondContact O-CB 3.37Å; A361-K365 PolarHBondContact O-N 2.96Å |
| 362 | A | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.5 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W317 Y320 L331 C358 N359 Y360 K365 T366 | W317-A362 VanDerWaalsContact CA-CB 3.45Å; W317-A362 HydrophobicContact CB-CB 3.9Å; Y320-A362 HydrophobicContact CG-CB 4.29Å; L331-A362 HydrophobicContact CD1-CB 3.98Å; C358-A362 VanDerWaalsContact O-CB 3.29Å; C358-A362 WeakPolarHBondContact O-CB 3.43Å; C358-A362 PolarHBondContact O-N 2.89Å; N359-A362 PolarHBondContact O-N 3.26Å; Y360-A362 VanDerWaalsContact C-N 3.29Å; Y360-A362 PolarHBondContact O-N 3.11Å; A362-K365 PolarHBondContact O-N 3.23Å; A362-T366 WeakPolarHBondContact O-CB 3.36Å; A362-T366 PolarHBondContact O-N 2.71Å; A362-T366 PolarHBondContact O-OG1 3.19Å |
| 363 | L | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -53.4 | 173.1 | 173.6 | 62.3 | 0 | 0 | 0 | 110.4 | N359 Y360 K365 T366 L367 I374 A377 F389 | N359-L363 WeakPolarHBondContact O-CB 3.34Å; N359-L363 PolarHBondContact O-N 3.16Å; Y360-L363 WeakPolarHBondContact O-CB 3.36Å; Y360-L363 PolarHBondContact O-N 3.12Å; L363-K365 VanDerWaalsContact C-N 3.28Å; L363-K365 PolarHBondContact O-N 2.98Å; L363-T366 PolarHBondContact O-N 3.14Å; L363-T366 VanDerWaalsContact O-N 3.08Å; L363-L367 HydrophobicContact CD1-CD1 3.63Å; L363-L367 HydrophobicContact CD1-CG 4.08Å; L363-L367 HydrophobicContact CG-CD1 4.27Å; L363-L367 PolarHBondContact O-N 2.89Å; L363-I374 HydrophobicContact CD2-CD1 3.88Å; L363-I374 HydrophobicContact CD2-CG2 4.35Å; L363-I374 HydrophobicContact CG-CD1 3.82Å; L363-A377 HydrophobicContact CD2-CB 4.34Å; L363-F389 HydrophobicContact CD1-CD1 3.97Å; L363-F389 HydrophobicContact CD1-CD2 4.41Å; L363-F389 HydrophobicContact CD1-CE1 3.51Å; L363-F389 HydrophobicContact CD1-CE2 4.01Å; L363-F389 HydrophobicContact CD1-CG 4.39Å; L363-F389 HydrophobicContact CD1-CZ 3.54Å; L363-F389 HydrophobicContact CD2-CB 4.18Å; L363-F389 HydrophobicContact CD2-CD1 4Å; L363-F389 HydrophobicContact CD2-CD2 4.18Å; L363-F389 HydrophobicContact CD2-CE1 4.39Å; L363-F389 HydrophobicContact CD2-CG 3.87Å |
| 364 | K | 91.2 | Very high | 88.3 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.3 | -45.8 | 176.2 | -169 | 170.5 | -171.8 | 164.1 | 0 | 110.8 | D346 Y360 T366 L367 Q368 | D346-K364 IonicContact OD2-NZ 2.76Å; D346-K364 PolarHBondContact OD2-NZ 3.38Å; Y360-K364 WeakPolarHBondContact O-CB 3.39Å; Y360-K364 PolarHBondContact O-N 3.14Å; K364-T366 VanDerWaalsContact C-N 3.34Å; K364-T366 PolarHBondContact O-N 3.31Å; K364-L367 PolarHBondContact O-N 2.86Å; K364-Q368 WeakPolarHBondContact O-CG 3.34Å; K364-Q368 PolarHBondContact O-N 2.99Å; K364-Q368 VanDerWaalsContact O-N 3.12Å |
| 365 | K | 90.1 | Very high | 88.8 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 179.2 | -158.3 | 52.2 | 157.6 | -167.6 | 0 | 113.9 | Y320 H330 E334 A361 A362 L363 Q368 | Y320-K365 HydrophobicContact CD2-CB 4.5Å; Y320-K365 HydrophobicContact CE2-CB 3.86Å; Y320-K365 HydrophobicContact CE2-CG 3.6Å; Y320-K365 VanDerWaalsContact OH-CG 3.3Å; Y320-K365 WeakPolarHBondContact OH-CG 3.48Å; H330-K365 WeakPolarHBondContact O-CE 3.5Å; E334-K365 HydrophobicContact CG-CD 4.35Å; E334-K365 IonicContact OE1-NZ 2.82Å; E334-K365 PolarHBondContact OE1-NZ 2.81Å; A361-K365 WeakPolarHBondContact O-CB 3.37Å; A361-K365 PolarHBondContact O-N 2.96Å; A362-K365 PolarHBondContact O-N 3.23Å; L363-K365 VanDerWaalsContact C-N 3.28Å; L363-K365 PolarHBondContact O-N 2.98Å; K365-Q368 VanDerWaalsContact CD-CD 3.47Å |
| 366 | T | 90.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.8 | -36.6 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | A362 L363 K364 | A362-T366 WeakPolarHBondContact O-CB 3.36Å; A362-T366 PolarHBondContact O-N 2.71Å; A362-T366 PolarHBondContact O-OG1 3.19Å; L363-T366 PolarHBondContact O-N 3.14Å; L363-T366 VanDerWaalsContact O-N 3.08Å; K364-T366 VanDerWaalsContact C-N 3.34Å; K364-T366 PolarHBondContact O-N 3.31Å |
| 367 | L | 90.5 | Very high | 90.1 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -88.4 | -2.4 | -178.3 | -61.4 | -177.1 | 0 | 0 | 0 | 114.3 | F310 L363 K364 L369 G370 I372 F389 | F310-L367 HydrophobicContact CD1-CD1 4.24Å; F310-L367 HydrophobicContact CD1-CD2 4.14Å; F310-L367 HydrophobicContact CD2-CD2 4.11Å; F310-L367 HydrophobicContact CE1-CD1 4.23Å; F310-L367 HydrophobicContact CE1-CD2 4.36Å; F310-L367 HydrophobicContact CE2-CD2 4.32Å; F310-L367 HydrophobicContact CG-CD2 4.02Å; F310-L367 HydrophobicContact CZ-CD2 4.45Å; L363-L367 HydrophobicContact CD1-CD1 3.63Å; L363-L367 HydrophobicContact CD1-CG 4.08Å; L363-L367 HydrophobicContact CG-CD1 4.27Å; L363-L367 PolarHBondContact O-N 2.89Å; K364-L367 PolarHBondContact O-N 2.86Å; L367-L369 PolarHBondContact O-N 3.32Å; L367-G370 PolarHBondContact O-N 3.37Å; L367-G370 VanDerWaalsContact O-N 3.17Å; L367-I372 HydrophobicContact CB-CD1 4.01Å; L367-I372 HydrophobicContact CD1-CG2 4.2Å; L367-I372 HydrophobicContact CD2-CD1 4.32Å; L367-F389 HydrophobicContact CD1-CE2 3.9Å; L367-F389 HydrophobicContact CD1-CZ 4.07Å |
| 368 | Q | 82.2 | Confident | 90.4 | Very high | 99 Ų | 99 | 28.8 Ų | 28.8 | 46% | 0.463 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -6 | 175.9 | -91.5 | 173 | 29.4 | 0 | 0 | 115.4 | E334 K364 K365 G370 | E334-Q368 PolarHBondContact OE1-NE2 3.16Å; K364-Q368 WeakPolarHBondContact O-CG 3.34Å; K364-Q368 PolarHBondContact O-N 2.99Å; K364-Q368 VanDerWaalsContact O-N 3.12Å; K365-Q368 VanDerWaalsContact CD-CD 3.47Å; Q368-G370 VanDerWaalsContact C-N 3.31Å |
| 369 | L | 71.8 | Confident | 90.4 | Very high | 128 Ų | 128 | 28.9 Ų | 28.9 | 67% | 0.67 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.9 | 176.4 | -66.8 | 171 | 0 | 0 | 0 | 113.6 | Y309 L367 | Y309-L369 HydrophobicContact CD1-CD1 3.84Å; Y309-L369 HydrophobicContact CE1-CD1 3.3Å; Y309-L369 HydrophobicContact CE2-CD1 4.05Å; Y309-L369 HydrophobicContact CG-CD1 4.39Å; L367-L369 PolarHBondContact O-N 3.32Å |
| 370 | G | 80.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 26% | 0.258 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -130.9 | 168.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L367 Q368 I372 | L367-G370 PolarHBondContact O-N 3.37Å; L367-G370 VanDerWaalsContact O-N 3.17Å; Q368-G370 VanDerWaalsContact C-N 3.31Å; G370-I372 PolarHBondContact O-N 2.94Å; G370-I372 VanDerWaalsContact O-N 3.13Å |
| 371 | D | 92 | Very high | 89.4 | Confident | 74 Ų | 74 | 33.5 Ų | 33.5 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -80.4 | 86.4 | 170.4 | -174.8 | 6.3 | 0 | 0 | 0 | 108.9 | Y394 T395 R465 | D371-Y394 WeakPolarHBondContact O-CD2 3.17Å; D371-Y394 PolarHBondContact O-N 3.31Å; D371-Y394 WeakPolarHBondContact OD1-CD2 3.28Å; D371-T395 PolarHBondContact N-OG1 3.28Å; D371-R465 VanDerWaalsContact CG-NH1 3.34Å; D371-R465 IonicContact OD1-NH1 3.8Å; D371-R465 PolarHBondContact OD1-NH1 2.95Å; D371-R465 IonicContact OD2-CZ 3.17Å; D371-R465 IonicContact OD2-NH1 2.69Å; D371-R465 PolarHBondContact OD2-NH1 2.8Å; D371-R465 IonicContact OD2-NH2 2.68Å; D371-R465 PolarHBondContact OD2-NH2 3.39Å |
| 372 | I | 94.5 | Very high | 88.6 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131 | -169 | -61.7 | 163.6 | 0 | 0 | 0 | 110.2 | F310 L367 G370 A391 I392 D393 | F310-I372 HydrophobicContact CE1-CD1 4.24Å; F310-I372 HydrophobicContact CE1-CG2 4.21Å; F310-I372 HydrophobicContact CE2-CD1 3.8Å; F310-I372 HydrophobicContact CZ-CD1 3.39Å; F310-I372 HydrophobicContact CZ-CG1 3.93Å; F310-I372 HydrophobicContact CZ-CG2 4.27Å; L367-I372 HydrophobicContact CB-CD1 4.01Å; L367-I372 HydrophobicContact CD1-CG2 4.2Å; L367-I372 HydrophobicContact CD2-CD1 4.32Å; G370-I372 PolarHBondContact O-N 2.94Å; G370-I372 VanDerWaalsContact O-N 3.13Å; I372-A391 HydrophobicContact CG2-CB 3.99Å; I372-I392 VanDerWaalsContact CA-O 3.27Å; I372-I392 WeakPolarHBondContact CA-O 3.19Å; I372-D393 HydrophobicContact CG1-CB 4.47Å |
| 373 | D | 93.4 | Very high | 87.6 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.5 | 170.6 | -178 | 21.7 | 0 | 0 | 0 | 110.3 | A391 I392 Y394 R461 | D373-A391 CarbonylContact O-C 3.52Å; D373-A391 WeakPolarHBondContact O-CA 3.22Å; D373-A391 WeakPolarHBondContact O-CB 3.46Å; D373-I392 HydrophobicContact CB-CB 4.48Å; D373-I392 PolarHBondContact N-O 3.23Å; D373-I392 PolarHBondContact O-N 2.91Å; D373-Y394 HydrophobicContact CB-CE2 3.83Å; D373-R461 IonicContact OD1-NH2 3.49Å; D373-R461 WeakPolarHBondContact OD2-CD 3.5Å; D373-R461 IonicContact OD2-CZ 3.4Å; D373-R461 IonicContact OD2-NE 2.71Å; D373-R461 PolarHBondContact OD2-NE 2.69Å; D373-R461 IonicContact OD2-NH2 3.84Å |
| 374 | I | 94.7 | Very high | 86.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.5 | 179.2 | -56.6 | 164.7 | 0 | 0 | 0 | 107.6 | T348 Y360 L363 A377 A391 | T348-I374 WeakPolarHBondContact CB-O 3.36Å; T348-I374 HydrophobicContact CG2-CB 4.13Å; T348-I374 HydrophobicContact CG2-CG2 3.81Å; T348-I374 WeakPolarHBondContact CG2-O 3.24Å; T348-I374 PolarHBondContact OG1-O 3.19Å; Y360-I374 HydrophobicContact CE2-CB 4.27Å; Y360-I374 HydrophobicContact CE2-CD1 3.97Å; Y360-I374 HydrophobicContact CE2-CG2 4.02Å; L363-I374 HydrophobicContact CD2-CD1 3.88Å; L363-I374 HydrophobicContact CD2-CG2 4.35Å; L363-I374 HydrophobicContact CG-CD1 3.82Å; I374-A377 HydrophobicContact CG2-CB 4.5Å; I374-A391 HydrophobicContact CG1-CB 4.49Å |
| 375 | V | 94.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -43.5 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | E349 V390 I392 A458 | E349-V375 PolarHBondContact N-O 2.69Å; E349-V375 VanDerWaalsContact N-O 3.12Å; V375-V390 PolarHBondContact N-O 3.45Å; V375-I392 HydrophobicContact CG2-CD1 3.76Å; V375-I392 HydrophobicContact CG2-CG1 3.79Å; V375-A458 HydrophobicContact CG2-CB 3.97Å |
| 376 | Y | 95.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 139.1 | -172.9 | 172.3 | -87.6 | 0 | 0 | 0 | 110.5 | E349 I351 T378 F388 F389 V390 K448 E452 L454 | E349-Y376 HydrophobicContact CB-CD2 4.13Å; E349-Y376 HydrophobicContact CG-CD2 4.14Å; E349-Y376 HydrophobicContact CG-CE2 4.48Å; E349-Y376 CarbonylContact O-C 3.59Å; E349-Y376 WeakPolarHBondContact O-CA 3.49Å; I351-Y376 HydrophobicContact CD1-CE2 3.53Å; I351-Y376 HydrophobicContact CG1-CE2 4.12Å; Y376-T378 HydrophobicContact CE1-CG2 3.76Å; Y376-T378 WeakPolarHBondContact OH-CB 3.34Å; Y376-F388 AromaticContact CD1-CE2 3.98Å; Y376-F388 HydrophobicContact CD1-CE2 3.98Å; Y376-F388 HydrophobicContact CD1-CZ 4.36Å; Y376-F388 HydrophobicContact CE1-CD2 4.34Å; Y376-F388 HydrophobicContact CE1-CE1 4.22Å; Y376-F388 AromaticContact CE1-CE2 3.68Å; Y376-F388 HydrophobicContact CE1-CE2 3.68Å; Y376-F388 AromaticContact CE1-CZ 3.62Å; Y376-F388 HydrophobicContact CE1-CZ 3.62Å; Y376-F389 CarbonylContact O-C 3.51Å; Y376-F389 WeakPolarHBondContact O-CA 3.44Å; Y376-F389 WeakPolarHBondContact O-CB 3.45Å; Y376-V390 HydrophobicContact CD1-CG2 4.39Å; Y376-V390 PolarHBondContact N-O 3.41Å; Y376-V390 PolarHBondContact O-N 3.44Å; Y376-K448 WeakPolarHBondContact OH-CD 3.37Å; Y376-K448 WeakPolarHBondContact OH-CE 3.33Å; Y376-K448 PolarHBondContact OH-NZ 2.82Å; Y376-E452 VanDerWaalsContact CE2-OE2 3.24Å; Y376-E452 WeakPolarHBondContact CE2-OE2 3.32Å; Y376-L454 HydrophobicContact CD1-CD1 3.84Å; Y376-L454 HydrophobicContact CD2-CD1 4.14Å; Y376-L454 HydrophobicContact CD2-CD2 3.8Å; Y376-L454 HydrophobicContact CE1-CD1 3.99Å; Y376-L454 HydrophobicContact CE2-CD1 4.28Å; Y376-L454 HydrophobicContact CE2-CD2 4.43Å; Y376-L454 HydrophobicContact CG-CD1 3.91Å; Y376-L454 HydrophobicContact CG-CD2 3.94Å |
| 377 | A | 95.6 | Very high | 86 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 125.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | E349 V350 I351 Y360 L363 I374 Y379 F389 | E349-A377 PolarHBondContact O-N 2.71Å; V350-A377 CarbonylContact C-O 3.6Å; V350-A377 WeakPolarHBondContact CA-O 3.39Å; I351-A377 PolarHBondContact N-O 2.74Å; Y360-A377 HydrophobicContact CD2-CB 4.34Å; L363-A377 HydrophobicContact CD2-CB 4.34Å; I374-A377 HydrophobicContact CG2-CB 4.5Å; A377-Y379 HydrophobicContact CB-CE2 4.22Å; A377-F389 HydrophobicContact CB-CB 3.86Å |
| 378 | T | 93.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.3 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | Y376 H380 P387 F388 | Y376-T378 HydrophobicContact CE1-CG2 3.76Å; Y376-T378 WeakPolarHBondContact OH-CB 3.34Å; T378-H380 WeakPolarHBondContact OG1-CB 3.34Å; T378-H380 PolarHBondContact OG1-N 3.33Å; T378-P387 WeakPolarHBondContact O-CA 3.45Å; T378-P387 VanDerWaalsContact O-CB 3.3Å; T378-P387 WeakPolarHBondContact O-CB 3.49Å; T378-F388 HydrophobicContact CG2-CD1 3.62Å; T378-F388 HydrophobicContact CG2-CE1 3.72Å; T378-F388 HydrophobicContact CG2-CG 4.28Å; T378-F388 HydrophobicContact CG2-CZ 4.43Å; T378-F388 WeakPolarHBondContact CG2-O 3.42Å; T378-F388 PolarHBondContact N-O 2.91Å; T378-F388 PolarHBondContact O-N 2.99Å |
| 379 | Y | 89.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | trans | -112.9 | 12.6 | 173 | -58.1 | -74 | 0 | 0 | 0 | 112.7 | V350 I351 D353 N359 Y360 A377 | V350-Y379 HydrophobicContact CG1-CD2 4.31Å; V350-Y379 HydrophobicContact CG1-CE2 4.03Å; I351-Y379 PolarHBondContact O-N 3.46Å; D353-Y379 HydrophobicContact CB-CD2 3.64Å; D353-Y379 HydrophobicContact CB-CE2 4.1Å; N359-Y379 VanDerWaalsContact C-OH 3.29Å; N359-Y379 HydrophobicContact CB-CD1 3.62Å; N359-Y379 HydrophobicContact CB-CD2 4.09Å; N359-Y379 HydrophobicContact CB-CE1 3.34Å; N359-Y379 HydrophobicContact CB-CE2 3.81Å; N359-Y379 HydrophobicContact CB-CG 3.99Å; N359-Y379 VanDerWaalsContact CB-CZ 3.43Å; N359-Y379 PolarHBondContact O-OH 3.08Å; Y360-Y379 VanDerWaalsContact CA-OH 3.26Å; Y360-Y379 WeakPolarHBondContact CA-OH 3.15Å; Y360-Y379 PolarHBondContact N-OH 3.37Å; A377-Y379 HydrophobicContact CB-CE2 4.22Å | ||
| 380 | H | 84.2 | Confident | 88.3 | Confident | 38 Ų | 38 | 32.3 Ų | 32.3 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | trans | -61.1 | 134.7 | 171.7 | -179 | 61.9 | 0 | 0 | 0 | 111.2 | Q352 T378 E385 P387 | Q352-H380 HydrophobicContact CB-CB 4.49Å; Q352-H380 VanDerWaalsContact OE1-CB 3.29Å; Q352-H380 VanDerWaalsContact OE1-CG 3.3Å; Q352-H380 PolarHBondContact OE1-ND1 3.45Å; T378-H380 WeakPolarHBondContact OG1-CB 3.34Å; T378-H380 PolarHBondContact OG1-N 3.33Å; H380-E385 IonicContact CD2-OE2 2.66Å; H380-E385 PolarHBondContact CD2-OE2 2.95Å; H380-E385 IonicContact NE2-OE2 3.03Å; H380-E385 PolarHBondContact NE2-OE2 3.28Å; H380-E385 VanDerWaalsContact NE2-OE2 3.11Å; H380-P387 WeakPolarHBondContact O-CD 3.27Å; H380-P387 VanDerWaalsContact O-CG 3.29Å; H380-P387 WeakPolarHBondContact O-CG 3.41Å | ||
| 381 | V | 78.4 | Confident | 89.1 | Confident | 96 Ų | 96 | 31.1 Ų | 31.1 | 58% | 0.582 | 18% | 0.176 | S | C | * | . | trans | -131.8 | 121.7 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | P387 | V381-P387 HydrophobicContact CG2-CG 3.52Š| ||
| 382 | D | 74.7 | Confident | 89.3 | Confident | 95 Ų | 95 | 27.6 Ų | 27.6 | 51% | 0.508 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -146.6 | 177.5 | 168.4 | -153.3 | -16.4 | 0 | 0 | 0 | 109.7 | G384 E385 | D382-G384 PolarHBondContact O-N 2.88Å; D382-G384 VanDerWaalsContact O-N 3.11Å; D382-E385 HydrophobicContact CB-CB 4.11Å; D382-E385 HydrophobicContact CB-CG 4.31Å; D382-E385 PolarHBondContact N-O 3.47Å; D382-E385 PolarHBondContact O-N 2.89Å; D382-E385 VanDerWaalsContact O-O 3.1Å |
| 383 | V | 69.8 | Low | 89.4 | Confident | 135 Ų | 135 | 26 Ų | 26 | 82% | 0.818 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 112.7 | -180 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | E385 | V383-E385 VanDerWaalsContact C-N 3.26Š|
| 384 | G | 68.4 | Low | 89.5 | Confident | 26 Ų | 26 | 25.3 Ų | 25.3 | 27% | 0.268 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | D382 A441 | D382-G384 PolarHBondContact O-N 2.88Å; D382-G384 VanDerWaalsContact O-N 3.11Å; G384-A441 WeakPolarHBondContact O-CA 3.3Å |
| 385 | E | 84 | Confident | 89.4 | Confident | 58 Ų | 58 | 28.8 Ų | 28.8 | 27% | 0.271 | 17% | 0.166 | S | C | . | . | B | Isolated β-bridge | trans | -115.4 | 107 | 176.5 | -59.4 | -165.3 | -157.1 | 0 | 0 | 109.6 | H380 D382 V383 Y444 | H380-E385 IonicContact CD2-OE2 2.66Å; H380-E385 PolarHBondContact CD2-OE2 2.95Å; H380-E385 IonicContact NE2-OE2 3.03Å; H380-E385 PolarHBondContact NE2-OE2 3.28Å; H380-E385 VanDerWaalsContact NE2-OE2 3.11Å; D382-E385 HydrophobicContact CB-CB 4.11Å; D382-E385 HydrophobicContact CB-CG 4.31Å; D382-E385 PolarHBondContact N-O 3.47Å; D382-E385 PolarHBondContact O-N 2.89Å; D382-E385 VanDerWaalsContact O-O 3.1Å; V383-E385 VanDerWaalsContact C-N 3.26Å; E385-Y444 HydrophobicContact CB-CD1 4.21Å; E385-Y444 HydrophobicContact CB-CE1 3.97Å; E385-Y444 HydrophobicContact CB-CE2 4.28Å; E385-Y444 HydrophobicContact CB-CG 4.47Å; E385-Y444 HydrophobicContact CG-CD1 4.25Å; E385-Y444 HydrophobicContact CG-CD2 3.74Å; E385-Y444 HydrophobicContact CG-CE1 4.2Å; E385-Y444 HydrophobicContact CG-CE2 3.66Å; E385-Y444 HydrophobicContact CG-CG 4.01Å; E385-Y444 WeakPolarHBondContact OE2-CE2 3.47Å; E385-Y444 PolarHBondContact OE2-OH 3.48Å |
| 386 | T | 86.5 | Confident | 89.3 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | trans | -104.5 | 140.8 | -179 | -161.5 | 0 | 0 | 0 | 0 | 111.9 | I403 R404 A441 I445 T483 | T386-I403 HydrophobicContact CG2-CG2 3.37Å; T386-R404 PolarHBondContact OG1-O 3.4Å; T386-A441 HydrophobicContact CG2-CB 4.43Å; T386-I445 HydrophobicContact CG2-CD1 3.72Å; T386-T483 HydrophobicContact CG2-CG2 4.44Å | ||
| 387 | P | 92.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | trans | -55.1 | 141.4 | 171.3 | -28.6 | 35.5 | 0 | 0 | 0 | 112.7 | T378 H380 V381 R404 | T378-P387 WeakPolarHBondContact O-CA 3.45Å; T378-P387 VanDerWaalsContact O-CB 3.3Å; T378-P387 WeakPolarHBondContact O-CB 3.49Å; H380-P387 WeakPolarHBondContact O-CD 3.27Å; H380-P387 VanDerWaalsContact O-CG 3.29Å; H380-P387 WeakPolarHBondContact O-CG 3.41Å; V381-P387 HydrophobicContact CG2-CG 3.52Å; P387-R404 HydrophobicContact CB-CB 3.86Å; P387-R404 HydrophobicContact CB-CG 4.46Å; P387-R404 WeakPolarHBondContact O-CB 3.5Å; P387-R404 PolarHBondContact O-N 3.24Å | ||
| 388 | F | 97 | Very high | 89.3 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 166.7 | 172.6 | 72.5 | -83.7 | 0 | 0 | 0 | 110.4 | Y376 T378 V390 I401 S402 I403 I445 K448 L449 L454 | Y376-F388 AromaticContact CD1-CE2 3.98Å; Y376-F388 HydrophobicContact CD1-CE2 3.98Å; Y376-F388 HydrophobicContact CD1-CZ 4.36Å; Y376-F388 HydrophobicContact CE1-CD2 4.34Å; Y376-F388 HydrophobicContact CE1-CE1 4.22Å; Y376-F388 AromaticContact CE1-CE2 3.68Å; Y376-F388 HydrophobicContact CE1-CE2 3.68Å; Y376-F388 AromaticContact CE1-CZ 3.62Å; Y376-F388 HydrophobicContact CE1-CZ 3.62Å; T378-F388 HydrophobicContact CG2-CD1 3.62Å; T378-F388 HydrophobicContact CG2-CE1 3.72Å; T378-F388 HydrophobicContact CG2-CG 4.28Å; T378-F388 HydrophobicContact CG2-CZ 4.43Å; T378-F388 WeakPolarHBondContact CG2-O 3.42Å; T378-F388 PolarHBondContact N-O 2.91Å; T378-F388 PolarHBondContact O-N 2.99Å; F388-V390 HydrophobicContact CD2-CG2 4.38Å; F388-V390 HydrophobicContact CE2-CG2 4.11Å; F388-I401 HydrophobicContact CD2-CG2 4.24Å; F388-S402 CarbonylContact C-O 3.59Å; F388-S402 VanDerWaalsContact CA-O 3.22Å; F388-S402 WeakPolarHBondContact CA-O 3.32Å; F388-S402 WeakPolarHBondContact CB-O 3.25Å; F388-I403 HydrophobicContact CB-CG1 4.27Å; F388-I445 HydrophobicContact CB-CD1 4.32Å; F388-I445 HydrophobicContact CD1-CD1 4.03Å; F388-I445 HydrophobicContact CD1-CG1 3.78Å; F388-I445 HydrophobicContact CD1-CG2 4.24Å; F388-I445 HydrophobicContact CD2-CG2 4.3Å; F388-I445 HydrophobicContact CE1-CB 4.46Å; F388-I445 HydrophobicContact CE1-CG1 3.98Å; F388-I445 HydrophobicContact CE1-CG2 4.14Å; F388-I445 HydrophobicContact CE2-CG2 4.21Å; F388-I445 HydrophobicContact CG-CD1 4.3Å; F388-I445 HydrophobicContact CG-CG1 4.41Å; F388-I445 HydrophobicContact CG-CG2 4.31Å; F388-I445 HydrophobicContact CZ-CG2 4.13Å; F388-K448 HydrophobicContact CE1-CD 4.02Å; F388-K448 HydrophobicContact CZ-CB 4.39Å; F388-K448 HydrophobicContact CZ-CD 4.08Å; F388-K448 HydrophobicContact CZ-CG 4.29Å; F388-L449 HydrophobicContact CE2-CD2 4.05Å; F388-L454 HydrophobicContact CE2-CD1 4.17Å; F388-L454 HydrophobicContact CZ-CD1 4.24Å |
| 389 | F | 97.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 155.4 | 171.9 | 69.7 | -93.9 | 0 | 0 | 0 | 111 | F310 A314 L363 L367 Y376 A377 A391 S402 | F310-F389 HydrophobicContact CB-CZ 4.3Å; F310-F389 AromaticContact CD1-CE2 3.89Å; F310-F389 HydrophobicContact CD1-CE2 3.89Å; F310-F389 HydrophobicContact CD1-CZ 4.03Å; A314-F389 HydrophobicContact CB-CD1 4.28Å; A314-F389 HydrophobicContact CB-CE1 3.86Å; L363-F389 HydrophobicContact CD1-CD1 3.97Å; L363-F389 HydrophobicContact CD1-CD2 4.41Å; L363-F389 HydrophobicContact CD1-CE1 3.51Å; L363-F389 HydrophobicContact CD1-CE2 4.01Å; L363-F389 HydrophobicContact CD1-CG 4.39Å; L363-F389 HydrophobicContact CD1-CZ 3.54Å; L363-F389 HydrophobicContact CD2-CB 4.18Å; L363-F389 HydrophobicContact CD2-CD1 4Å; L363-F389 HydrophobicContact CD2-CD2 4.18Å; L363-F389 HydrophobicContact CD2-CE1 4.39Å; L363-F389 HydrophobicContact CD2-CG 3.87Å; L367-F389 HydrophobicContact CD1-CE2 3.9Å; L367-F389 HydrophobicContact CD1-CZ 4.07Å; Y376-F389 CarbonylContact O-C 3.51Å; Y376-F389 WeakPolarHBondContact O-CA 3.44Å; Y376-F389 WeakPolarHBondContact O-CB 3.45Å; A377-F389 HydrophobicContact CB-CB 3.86Å; F389-A391 HydrophobicContact CD2-CB 4.04Å; F389-A391 HydrophobicContact CE2-CB 3.95Å; F389-S402 VanDerWaalsContact CE1-OG 3.29Å; F389-S402 WeakPolarHBondContact CE1-OG 3.06Å; F389-S402 WeakPolarHBondContact CZ-OG 3.18Å; F389-S402 PolarHBondContact N-O 3.1Å; F389-S402 PolarHBondContact O-N 3.49Å |
| 390 | V | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.1 | 174 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | V375 Y376 F388 V399 V400 I401 L449 L454 A458 | V375-V390 PolarHBondContact N-O 3.45Å; Y376-V390 HydrophobicContact CD1-CG2 4.39Å; Y376-V390 PolarHBondContact N-O 3.41Å; Y376-V390 PolarHBondContact O-N 3.44Å; F388-V390 HydrophobicContact CD2-CG2 4.38Å; F388-V390 HydrophobicContact CE2-CG2 4.11Å; V390-V399 HydrophobicContact CG1-CG1 3.89Å; V390-V400 WeakPolarHBondContact CA-O 3.18Å; V390-I401 HydrophobicContact CG2-CG1 4.37Å; V390-L449 HydrophobicContact CG2-CD2 3.99Å; V390-L454 HydrophobicContact CG2-CB 4.31Å; V390-L454 HydrophobicContact CG2-CD1 4.39Å; V390-A458 HydrophobicContact CG1-CB 4.17Å |
| 391 | A | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F310 I372 D373 I374 F389 V399 V400 | F310-A391 HydrophobicContact CE1-CB 4.07Å; I372-A391 HydrophobicContact CG2-CB 3.99Å; D373-A391 CarbonylContact O-C 3.52Å; D373-A391 WeakPolarHBondContact O-CA 3.22Å; D373-A391 WeakPolarHBondContact O-CB 3.46Å; I374-A391 HydrophobicContact CG1-CB 4.49Å; F389-A391 HydrophobicContact CD2-CB 4.04Å; F389-A391 HydrophobicContact CE2-CB 3.95Å; A391-V399 CarbonylContact O-C 3.55Å; A391-V400 PolarHBondContact N-O 3.3Å; A391-V400 PolarHBondContact O-N 3.46Å |
| 392 | I | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.2 | 173.8 | -57.7 | 168 | 0 | 0 | 0 | 106.8 | I372 D373 V375 Y394 A458 R461 T467 F470 | I372-I392 VanDerWaalsContact CA-O 3.27Å; I372-I392 WeakPolarHBondContact CA-O 3.19Å; D373-I392 HydrophobicContact CB-CB 4.48Å; D373-I392 PolarHBondContact N-O 3.23Å; D373-I392 PolarHBondContact O-N 2.91Å; V375-I392 HydrophobicContact CG2-CD1 3.76Å; V375-I392 HydrophobicContact CG2-CG1 3.79Å; I392-Y394 HydrophobicContact CG2-CD1 3.91Å; I392-Y394 HydrophobicContact CG2-CD2 4.44Å; I392-Y394 HydrophobicContact CG2-CE1 3.58Å; I392-Y394 HydrophobicContact CG2-CE2 4.17Å; I392-Y394 HydrophobicContact CG2-CG 4.32Å; I392-A458 HydrophobicContact CD1-CB 4.33Å; I392-A458 VanDerWaalsContact CD1-O 3.24Å; I392-A458 WeakPolarHBondContact CD1-O 3.5Å; I392-A458 HydrophobicContact CG1-CB 4.09Å; I392-R461 HydrophobicContact CD1-CB 3.89Å; I392-R461 HydrophobicContact CD1-CG 4.39Å; I392-T467 HydrophobicContact CG2-CG2 4.21Å; I392-F470 HydrophobicContact CG2-CD2 3.85Å; I392-F470 HydrophobicContact CG2-CE2 3.62Å |
| 393 | D | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 103.3 | 170.1 | -179.3 | 8.7 | 0 | 0 | 0 | 109.5 | H306 F310 I372 T395 H396 R397 A398 V400 | H306-D393 IonicContact CD2-OD2 2.89Å; H306-D393 IonicContact CE1-OD2 2.88Å; H306-D393 IonicContact NE2-OD2 3.72Å; H306-D393 PolarHBondContact NE2-OD2 3.49Å; F310-D393 HydrophobicContact CZ-CB 4.13Å; I372-D393 HydrophobicContact CG1-CB 4.47Å; D393-T395 PolarHBondContact O-N 3.36Å; D393-T395 WeakPolarHBondContact OD1-CA 3.14Å; D393-T395 WeakPolarHBondContact OD1-CB 3.49Å; D393-T395 PolarHBondContact OD1-N 3.48Å; D393-T395 PolarHBondContact OD1-OG1 2.97Å; D393-T395 VanDerWaalsContact OD1-OG1 3.07Å; D393-H396 PolarHBondContact OD1-N 3.48Å; D393-H396 WeakPolarHBondContact OD2-CB 3.46Å; D393-H396 IonicContact OD2-CG 3.86Å; D393-H396 IonicContact OD2-ND1 3.78Å; D393-H396 PolarHBondContact OD2-ND1 2.88Å; D393-R397 WeakPolarHBondContact O-CA 3.49Å; D393-R397 PolarHBondContact O-N 3.37Å; D393-A398 PolarHBondContact N-O 2.91Å; D393-A398 PolarHBondContact O-N 3.49Å; D393-V400 HydrophobicContact CB-CG2 4.09Å |
| 394 | Y | 95.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 9% | 0.09 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21 | 177.7 | -61 | -73.4 | 0 | 0 | 0 | 112.7 | D371 D373 I392 N462 R465 T467 F470 | D371-Y394 WeakPolarHBondContact O-CD2 3.17Å; D371-Y394 PolarHBondContact O-N 3.31Å; D371-Y394 WeakPolarHBondContact OD1-CD2 3.28Å; D373-Y394 HydrophobicContact CB-CE2 3.83Å; I392-Y394 HydrophobicContact CG2-CD1 3.91Å; I392-Y394 HydrophobicContact CG2-CD2 4.44Å; I392-Y394 HydrophobicContact CG2-CE1 3.58Å; I392-Y394 HydrophobicContact CG2-CE2 4.17Å; I392-Y394 HydrophobicContact CG2-CG 4.32Å; Y394-N462 HydrophobicContact CE1-CB 4.31Å; Y394-R465 VanDerWaalsContact CB-CZ 3.47Å; Y394-R465 HydrophobicContact CD1-CB 4.15Å; Y394-R465 HydrophobicContact CE1-CB 4.05Å; Y394-R465 HydrophobicContact CE1-CG 4.46Å; Y394-T467 HydrophobicContact CD1-CG2 4.42Å; Y394-T467 HydrophobicContact CE1-CG2 3.66Å; Y394-F470 AromaticContact CD1-CE2 3.76Å; Y394-F470 HydrophobicContact CD1-CE2 3.76Å; Y394-F470 AromaticContact CD1-CZ 3.86Å; Y394-F470 HydrophobicContact CD1-CZ 3.86Å; Y394-F470 HydrophobicContact CE1-CE2 4.28Å |
| 395 | T | 92.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 20.3 Ų | 20.3 | 50% | 0.503 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -43.2 | -179.6 | -41.1 | 0 | 0 | 0 | 0 | 110.8 | D371 D393 | D371-T395 PolarHBondContact N-OG1 3.28Å; D393-T395 PolarHBondContact O-N 3.36Å; D393-T395 WeakPolarHBondContact OD1-CA 3.14Å; D393-T395 WeakPolarHBondContact OD1-CB 3.49Å; D393-T395 PolarHBondContact OD1-N 3.48Å; D393-T395 PolarHBondContact OD1-OG1 2.97Å; D393-T395 VanDerWaalsContact OD1-OG1 3.07Å |
| 396 | H | 92.7 | Very high | 94.7 | Very high | 72 Ų | 72 | 18.8 Ų | 18.8 | 33% | 0.333 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 6.6 | 179.7 | -63.1 | 84.9 | 0 | 0 | 0 | 113.7 | H306 D393 A398 | H306-H396 AromaticContact CD2-CE1 3.34Å; H306-H396 PolarHBondContact CD2-CE1 3.41Å; H306-H396 AromaticContact CD2-ND1 3.36Å; H306-H396 PolarHBondContact CD2-ND1 3.29Å; H306-H396 AromaticContact CE1-CE1 3.73Å; H306-H396 AromaticContact CE1-ND1 3.77Å; H306-H396 AromaticContact CG-CE1 3.47Å; H306-H396 VanDerWaalsContact CG-CE1 3.47Å; H306-H396 AromaticContact CG-ND1 3.95Å; H306-H396 AromaticContact ND1-CE1 3.75Å; H306-H396 AromaticContact NE2-CE1 3.5Å; H306-H396 PolarHBondContact NE2-CE1 3.17Å; H306-H396 AromaticContact NE2-ND1 3.22Å; H306-H396 PolarHBondContact NE2-ND1 3.41Å; D393-H396 PolarHBondContact OD1-N 3.48Å; D393-H396 WeakPolarHBondContact OD2-CB 3.46Å; D393-H396 IonicContact OD2-CG 3.86Å; D393-H396 IonicContact OD2-ND1 3.78Å; D393-H396 PolarHBondContact OD2-ND1 2.88Å; H396-A398 PolarHBondContact O-N 3.33Å |
| 397 | R | 95.1 | Very high | 93.6 | Very high | 110 Ų | 110 | 21.9 Ų | 21.9 | 42% | 0.415 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 52.4 | -178.4 | -60.5 | 176.6 | 65.6 | 122.8 | 1.3 | 112.1 | D393 T469 F470 D471 | D393-R397 WeakPolarHBondContact O-CA 3.49Å; D393-R397 PolarHBondContact O-N 3.37Å; R397-T469 PolarHBondContact NH2-OG1 3.18Å; R397-F470 HydrophobicContact CB-CD1 3.71Å; R397-F470 HydrophobicContact CB-CD2 4.5Å; R397-F470 HydrophobicContact CB-CE1 3.69Å; R397-F470 HydrophobicContact CB-CE2 4.47Å; R397-F470 HydrophobicContact CB-CG 4.14Å; R397-F470 HydrophobicContact CB-CZ 4.08Å; R397-F470 HydrophobicContact CG-CD1 4.34Å; R397-F470 HydrophobicContact CG-CE1 3.83Å; R397-F470 HydrophobicContact CG-CZ 4.12Å; R397-F470 WeakPolarHBondContact O-CA 3.34Å; R397-F470 VanDerWaalsContact O-CB 3.25Å; R397-F470 WeakPolarHBondContact O-CB 3.32Å; R397-F470 WeakPolarHBondContact O-CG 3.26Å; R397-D471 PolarHBondContact O-N 3.43Å; R397-D471 VanDerWaalsContact O-N 3.08Å |
| 398 | A | 96.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D393 H396 V400 D471 V473 | D393-A398 PolarHBondContact N-O 2.91Å; D393-A398 PolarHBondContact O-N 3.49Å; H396-A398 PolarHBondContact O-N 3.33Å; A398-V400 HydrophobicContact CB-CG2 4.42Å; A398-D471 CarbonylContact C-O 3.58Å; A398-D471 WeakPolarHBondContact CA-O 3.4Å; A398-V473 HydrophobicContact CB-CB 4.47Å; A398-V473 HydrophobicContact CB-CG2 3.79Å |
| 399 | V | 97.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.2 | 161.1 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | V390 A391 A458 L459 F470 D471 L472 V473 | V390-V399 HydrophobicContact CG1-CG1 3.89Å; A391-V399 CarbonylContact O-C 3.55Å; V399-A458 HydrophobicContact CG1-CB 3.78Å; V399-A458 HydrophobicContact CG2-CB 4.03Å; V399-L459 HydrophobicContact CG2-CD2 3.73Å; V399-L459 HydrophobicContact CG2-CG 4.21Å; V399-F470 HydrophobicContact CG2-CB 4.34Å; V399-D471 PolarHBondContact N-O 3.2Å; V399-L472 HydrophobicContact CB-CD1 4.25Å; V399-L472 HydrophobicContact CG1-CD1 4.21Å; V399-V473 PolarHBondContact O-N 3.03Å |
| 400 | V | 98.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.1 | -173.9 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | Y307 F310 V390 A391 D393 A398 V473 V475 | Y307-V400 HydrophobicContact CD1-CG1 4.36Å; Y307-V400 HydrophobicContact CD1-CG2 4.44Å; Y307-V400 HydrophobicContact CE1-CG1 4.4Å; Y307-V400 HydrophobicContact CE1-CG2 3.73Å; F310-V400 HydrophobicContact CB-CG1 4.37Å; F310-V400 HydrophobicContact CD1-CB 3.94Å; F310-V400 HydrophobicContact CD1-CG1 3.53Å; F310-V400 HydrophobicContact CD1-CG2 4.32Å; F310-V400 HydrophobicContact CE1-CB 3.82Å; F310-V400 HydrophobicContact CE1-CG1 3.92Å; F310-V400 HydrophobicContact CE1-CG2 3.84Å; F310-V400 HydrophobicContact CG-CG1 4Å; F310-V400 HydrophobicContact CZ-CG2 4.11Å; V390-V400 WeakPolarHBondContact CA-O 3.18Å; A391-V400 PolarHBondContact N-O 3.3Å; A391-V400 PolarHBondContact O-N 3.46Å; D393-V400 HydrophobicContact CB-CG2 4.09Å; A398-V400 HydrophobicContact CB-CG2 4.42Å; V400-V473 CarbonylContact C-O 3.57Å; V400-V473 VanDerWaalsContact CA-O 3.29Å; V400-V473 WeakPolarHBondContact CA-O 3.4Å; V400-V473 HydrophobicContact CG2-CB 4.49Å; V400-V475 HydrophobicContact CG1-CB 4.44Å; V400-V475 HydrophobicContact CG1-CG2 3.74Å |
| 401 | I | 98.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110.6 | 170.6 | -55.3 | 173.2 | 0 | 0 | 0 | 107.5 | F388 V390 I403 L449 I455 L472 V473 L474 V475 | F388-I401 HydrophobicContact CD2-CG2 4.24Å; V390-I401 HydrophobicContact CG2-CG1 4.37Å; I401-I403 HydrophobicContact CG2-CG1 4.4Å; I401-L449 HydrophobicContact CD1-CD1 3.7Å; I401-L449 HydrophobicContact CD1-CD2 3.93Å; I401-I455 HydrophobicContact CD1-CD1 4.21Å; I401-I455 HydrophobicContact CD1-CG1 4.23Å; I401-L472 HydrophobicContact CD1-CD1 3.81Å; I401-L472 HydrophobicContact CG1-CD1 4.09Å; I401-V473 PolarHBondContact N-O 2.85Å; I401-L474 HydrophobicContact CB-CG 4.44Å; I401-L474 WeakPolarHBondContact O-CA 3Å; I401-V475 PolarHBondContact O-N 2.86Å |
| 402 | S | 98.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.2 | -176.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | F310 F388 F389 V475 | F310-S402 PolarHBondContact O-OG 3.09Å; F388-S402 CarbonylContact C-O 3.59Å; F388-S402 VanDerWaalsContact CA-O 3.22Å; F388-S402 WeakPolarHBondContact CA-O 3.32Å; F388-S402 WeakPolarHBondContact CB-O 3.25Å; F389-S402 VanDerWaalsContact CE1-OG 3.29Å; F389-S402 WeakPolarHBondContact CE1-OG 3.06Å; F389-S402 WeakPolarHBondContact CZ-OG 3.18Å; F389-S402 PolarHBondContact N-O 3.1Å; F389-S402 PolarHBondContact O-N 3.49Å; S402-V475 CarbonylContact C-O 3.59Å; S402-V475 WeakPolarHBondContact CA-O 2.98Å |
| 403 | I | 97.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.4 | -171.4 | -51.5 | -179.6 | 0 | 0 | 0 | 109.6 | T386 F388 I401 I445 V475 T483 A484 L487 | T386-I403 HydrophobicContact CG2-CG2 3.37Å; F388-I403 HydrophobicContact CB-CG1 4.27Å; I401-I403 HydrophobicContact CG2-CG1 4.4Å; I403-I445 HydrophobicContact CD1-CD1 3.74Å; I403-I445 HydrophobicContact CG1-CD1 4.02Å; I403-I445 HydrophobicContact CG2-CD1 3.75Å; I403-V475 PolarHBondContact N-O 3.23Å; I403-T483 HydrophobicContact CD1-CG2 4Å; I403-T483 HydrophobicContact CG2-CG2 4.12Å; I403-A484 HydrophobicContact CD1-CB 3.86Å; I403-A484 HydrophobicContact CG1-CB 4.41Å; I403-L487 HydrophobicContact CD1-CD2 3.93Å |
| 404 | R | 94.6 | Very high | 82.4 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | trans | -73.9 | 135.1 | 179.7 | -169.2 | -169.3 | 167 | -173.5 | -1.9 | 110.2 | A314 Y315 T386 P387 | A314-R404 HydrophobicContact CB-CB 3.96Å; A314-R404 HydrophobicContact CB-CG 4.32Å; A314-R404 WeakPolarHBondContact O-CD 3.31Å; A314-R404 VanDerWaalsContact O-CG 3.26Å; A314-R404 WeakPolarHBondContact O-CG 3.22Å; Y315-R404 HydrophobicContact CD1-CG 4.09Å; Y315-R404 HydrophobicContact CE1-CG 4.36Å; Y315-R404 HydrophobicContact CG-CG 4.46Å; T386-R404 PolarHBondContact OG1-O 3.4Å; P387-R404 HydrophobicContact CB-CB 3.86Å; P387-R404 HydrophobicContact CB-CG 4.46Å; P387-R404 WeakPolarHBondContact O-CB 3.5Å; P387-R404 PolarHBondContact O-N 3.24Å | ||
| 405 | G | 88.9 | Confident | 80.9 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -91.8 | -175.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y315 H477 G480 | Y315-G405 WeakPolarHBondContact CE1-O 3.47Å; Y315-G405 WeakPolarHBondContact OH-CA 3.36Å; G405-H477 WeakPolarHBondContact CA-O 3.46Å; G405-G480 VanDerWaalsContact CA-N 3.33Å | ||
| 406 | T | 79.4 | Confident | 79.5 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | trans | -86.7 | 146.5 | -177.8 | -44.5 | 0 | 0 | 0 | 0 | 112.3 | Y315 D411 L479 | Y315-T406 PolarHBondContact OH-O 2.86Å; T406-D411 HydrophobicContact CG2-CB 3.32Å; T406-D411 WeakPolarHBondContact CG2-OD2 3.3Å; T406-L479 WeakPolarHBondContact OG1-CD2 3.47Å | ||
| 407 | L | 65.3 | Low | 77.9 | Confident | 81 Ų | 81 | 36 Ų | 36 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -92.7 | -10.1 | 173.1 | -72.1 | 174.4 | 0 | 0 | 0 | 113 | Y315 P318 M319 | Y315-L407 HydrophobicContact CD1-CD1 4.15Å; Y315-L407 HydrophobicContact CD1-CD2 3.24Å; Y315-L407 HydrophobicContact CD1-CG 3.51Å; Y315-L407 HydrophobicContact CE1-CD2 3.45Å; Y315-L407 VanDerWaalsContact CE1-CD2 3.45Å; Y315-L407 HydrophobicContact CE1-CG 3.73Å; Y315-L407 HydrophobicContact CG-CD2 4.12Å; P318-L407 HydrophobicContact CB-CD1 4.5Å; M319-L407 HydrophobicContact CE-CD2 3.58Å |
| 408 | S | 66.8 | Low | 76.5 | Confident | 41 Ų | 41 | 32 Ų | 32 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | trans | -106.3 | 125.3 | -177.9 | 167.1 | 0 | 0 | 0 | 0 | 110.2 | K410 D411 I412 | S408-K410 PolarHBondContact O-N 3.17Å; S408-K410 PolarHBondContact OG-N 3.04Å; S408-D411 WeakPolarHBondContact CB-OD1 3.44Å; S408-D411 VanDerWaalsContact CB-OD2 3.28Å; S408-D411 WeakPolarHBondContact CB-OD2 3.44Å; S408-D411 PolarHBondContact O-N 3Å; S408-D411 VanDerWaalsContact OG-CG 3.26Å; S408-D411 PolarHBondContact OG-N 3.39Å; S408-D411 PolarHBondContact OG-OD1 3.21Å; S408-I412 WeakPolarHBondContact O-CG1 3.45Å; S408-I412 PolarHBondContact O-N 3.29Å; S408-I412 VanDerWaalsContact O-N 3.15Å | ||
| 409 | M | 59.6 | Low | 75.3 | Confident | 41 Ų | 41 | 37.5 Ų | 37.5 | 20% | 0.202 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -26.4 | 173.5 | -70.7 | -61.8 | -53.2 | 0 | 0 | 112.9 | L233 D411 I412 L413 V531 V532 L666 | L233-M409 HydrophobicContact CD1-CB 3.76Å; L233-M409 HydrophobicContact CD1-CE 4.23Å; L233-M409 HydrophobicContact CD1-CG 4.45Å; L233-M409 HydrophobicContact CD2-CB 4.03Å; L233-M409 WeakPolarHBondContact CD2-O 3.49Å; M409-D411 VanDerWaalsContact C-N 3.29Å; M409-I412 HydrophobicContact CE-CD1 4.46Å; M409-I412 PolarHBondContact O-N 3.47Å; M409-I412 HydrophobicContact SD-CD1 3.7Å; M409-L413 PolarHBondContact O-N 3.46Å; M409-V531 HydrophobicContact CE-CG1 4.04Å; M409-V532 HydrophobicContact CE-CG2 4.34Å; M409-L666 HydrophobicContact CE-CD2 3.46Å; M409-L666 VanDerWaalsContact CE-CD2 3.46Å; M409-L666 HydrophobicContact CG-CD2 4.24Å; M409-L666 HydrophobicContact SD-CD2 3.85Å |
| 410 | K | 58.8 | Low | 74.6 | Confident | 87 Ų | 87 | 39.3 Ų | 39.3 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -44.3 | 176.1 | -175.7 | 172.4 | -177.8 | 171.5 | 0 | 109.6 | D207 S408 L413 T414 | D207-K410 IonicContact OD2-NZ 3.51Å; D207-K410 PolarHBondContact OD2-NZ 2.64Å; S408-K410 PolarHBondContact O-N 3.17Å; S408-K410 PolarHBondContact OG-N 3.04Å; K410-L413 PolarHBondContact O-N 3.03Å; K410-T414 WeakPolarHBondContact O-CG2 3.34Å; K410-T414 PolarHBondContact O-N 2.99Å; K410-T414 PolarHBondContact O-OG1 2.85Å; K410-T414 VanDerWaalsContact O-OG1 3.12Å |
| 411 | D | 65.4 | Low | 74.2 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.5 | -43.2 | -179.7 | -52.6 | 10.5 | 0 | 0 | 0 | 109.8 | T406 S408 M409 L413 T414 D415 | T406-D411 HydrophobicContact CG2-CB 3.32Å; T406-D411 WeakPolarHBondContact CG2-OD2 3.3Å; S408-D411 WeakPolarHBondContact CB-OD1 3.44Å; S408-D411 VanDerWaalsContact CB-OD2 3.28Å; S408-D411 WeakPolarHBondContact CB-OD2 3.44Å; S408-D411 PolarHBondContact O-N 3Å; S408-D411 VanDerWaalsContact OG-CG 3.26Å; S408-D411 PolarHBondContact OG-N 3.39Å; S408-D411 PolarHBondContact OG-OD1 3.21Å; M409-D411 VanDerWaalsContact C-N 3.29Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 2.82Å; D411-T414 VanDerWaalsContact CA-OG1 3.25Å; D411-T414 WeakPolarHBondContact CA-OG1 3.5Å; D411-T414 PolarHBondContact O-N 3Å; D411-T414 PolarHBondContact O-OG1 3.34Å; D411-D415 VanDerWaalsContact O-CB 3.31Å; D411-D415 WeakPolarHBondContact O-CB 3.29Å; D411-D415 PolarHBondContact O-N 3.09Å; D411-D415 VanDerWaalsContact O-OD2 3.12Å |
| 412 | I | 66.2 | Low | 73.9 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 173.6 | -68.8 | 167 | 0 | 0 | 0 | 111.2 | S408 M409 L416 V532 | S408-I412 WeakPolarHBondContact O-CG1 3.45Å; S408-I412 PolarHBondContact O-N 3.29Å; S408-I412 VanDerWaalsContact O-N 3.15Å; M409-I412 HydrophobicContact CE-CD1 4.46Å; M409-I412 PolarHBondContact O-N 3.47Å; M409-I412 HydrophobicContact SD-CD1 3.7Å; I412-L416 HydrophobicContact CG2-CD1 3.59Å; I412-L416 HydrophobicContact CG2-CG 4.4Å; I412-L416 VanDerWaalsContact O-CB 3.26Å; I412-L416 WeakPolarHBondContact O-CB 3.46Å; I412-L416 WeakPolarHBondContact O-CD1 3.35Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 2.96Å; I412-V532 HydrophobicContact CD1-CG2 4.44Å; I412-V532 HydrophobicContact CG2-CG1 4.36Å; I412-V532 HydrophobicContact CG2-CG2 3.97Å |
| 413 | L | 60.8 | Low | 73.8 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | -179.9 | -170.3 | 71.4 | 0 | 0 | 0 | 112.7 | L233 M409 K410 D411 D415 L416 N417 I535 M540 | L233-L413 HydrophobicContact CB-CD2 4.08Å; L233-L413 HydrophobicContact CD2-CB 4.35Å; L233-L413 HydrophobicContact CD2-CD2 4.37Å; L233-L413 WeakPolarHBondContact O-CD2 3.31Å; M409-L413 PolarHBondContact O-N 3.46Å; K410-L413 PolarHBondContact O-N 3.03Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 2.82Å; L413-D415 PolarHBondContact O-N 3.47Å; L413-L416 PolarHBondContact O-N 3Å; L413-N417 WeakPolarHBondContact O-CB 3.13Å; L413-N417 PolarHBondContact O-N 3.37Å; L413-I535 HydrophobicContact CD1-CD1 3.44Å; L413-I535 VanDerWaalsContact CD1-CD1 3.44Å; L413-I535 HydrophobicContact CD1-CG1 4.07Å; L413-M540 HydrophobicContact CD1-SD 4.33Å |
| 414 | T | 60.8 | Low | 73.6 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.7 | 47 | 0 | 0 | 0 | 0 | 111.4 | K410 D411 | K410-T414 WeakPolarHBondContact O-CG2 3.34Å; K410-T414 PolarHBondContact O-N 2.99Å; K410-T414 PolarHBondContact O-OG1 2.85Å; K410-T414 VanDerWaalsContact O-OG1 3.12Å; D411-T414 VanDerWaalsContact CA-OG1 3.25Å; D411-T414 WeakPolarHBondContact CA-OG1 3.5Å; D411-T414 PolarHBondContact O-N 3Å; D411-T414 PolarHBondContact O-OG1 3.34Å |
| 415 | D | 65.1 | Low | 73.4 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -60.3 | 172.3 | -67 | -27.3 | 0 | 0 | 0 | 107.5 | D411 L413 N417 A418 H435 L479 | D411-D415 VanDerWaalsContact O-CB 3.31Å; D411-D415 WeakPolarHBondContact O-CB 3.29Å; D411-D415 PolarHBondContact O-N 3.09Å; D411-D415 VanDerWaalsContact O-OD2 3.12Å; L413-D415 PolarHBondContact O-N 3.47Å; D415-N417 PolarHBondContact O-N 3.02Å; D415-A418 VanDerWaalsContact O-CB 3.29Å; D415-A418 WeakPolarHBondContact O-CB 3.49Å; D415-A418 PolarHBondContact O-N 2.88Å; D415-H435 VanDerWaalsContact C-NE2 3.25Å; D415-H435 PolarHBondContact O-CE1 2.9Å; D415-H435 PolarHBondContact O-NE2 2.81Å; D415-L479 HydrophobicContact CB-CD1 3.97Å; D415-L479 VanDerWaalsContact OD2-CD2 3.27Å; D415-L479 WeakPolarHBondContact OD2-CD2 3.32Å |
| 416 | L | 62 | Low | 73.3 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -11.4 | -175.2 | -72.5 | 171.7 | 0 | 0 | 0 | 117.2 | I412 L413 A418 H435 M438 P506 I535 | I412-L416 HydrophobicContact CG2-CD1 3.59Å; I412-L416 HydrophobicContact CG2-CG 4.4Å; I412-L416 VanDerWaalsContact O-CB 3.26Å; I412-L416 WeakPolarHBondContact O-CB 3.46Å; I412-L416 WeakPolarHBondContact O-CD1 3.35Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 2.96Å; L413-L416 PolarHBondContact O-N 3Å; L416-A418 VanDerWaalsContact C-N 3.26Å; L416-H435 WeakPolarHBondContact CA-NE2 3.45Å; L416-M438 HydrophobicContact CD2-CE 4.09Å; L416-P506 HydrophobicContact CD1-CB 4.32Å; L416-P506 HydrophobicContact CD2-CB 3.21Å; L416-P506 HydrophobicContact CD2-CG 4.16Å; L416-P506 HydrophobicContact CG-CB 4.23Å; L416-I535 HydrophobicContact CD1-CB 4.34Å; L416-I535 HydrophobicContact CD1-CG1 4.43Å; L416-I535 HydrophobicContact CD1-CG2 3.29Å |
| 417 | N | 59.9 | Low | 73.7 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 11.8 | 173.9 | -162.9 | 81.2 | 0 | 0 | 0 | 112.4 | L413 D415 L537 | L413-N417 WeakPolarHBondContact O-CB 3.13Å; L413-N417 PolarHBondContact O-N 3.37Å; D415-N417 PolarHBondContact O-N 3.02Å; N417-L537 HydrophobicContact CB-CD2 4.18Å; N417-L537 WeakPolarHBondContact OD1-CD2 3.45Å |
| 418 | A | 64.4 | Low | 74.9 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -87.7 | 149.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D415 L416 K436 L537 | D415-A418 VanDerWaalsContact O-CB 3.29Å; D415-A418 WeakPolarHBondContact O-CB 3.49Å; D415-A418 PolarHBondContact O-N 2.88Å; L416-A418 VanDerWaalsContact C-N 3.26Å; A418-K436 HydrophobicContact CB-CB 4.21Å; A418-L537 WeakPolarHBondContact O-CD1 3.48Å |
| 419 | E | 72.8 | Confident | 76.1 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 159.8 | 175.6 | -62.1 | 178.3 | 167.6 | 0 | 0 | 111.7 | K436 H615 | E419-K436 WeakPolarHBondContact O-CB 3.42Å; E419-K436 PolarHBondContact O-N 3.34Å; E419-K436 VanDerWaalsContact O-N 3.16Å; E419-H615 IonicContact OE1-CE1 3.73Å; E419-H615 PolarHBondContact OE1-CE1 3.4Å |
| 420 | G | 82.6 | Confident | 77.5 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G434 | G420-G434 CarbonylContact C-O 3.6Å; G420-G434 WeakPolarHBondContact CA-O 3.4Å |
| 421 | E | 89.4 | Confident | 79 | Confident | 67 Ų | 67 | 67 Ų | 67 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.9 | 175.1 | -178.9 | 171.9 | -169.8 | 0 | 0 | 109.6 | L423 L433 G434 K436 V439 | E421-L423 PolarHBondContact O-N 2.88Å; E421-L433 CarbonylContact O-C 3.44Å; E421-L433 WeakPolarHBondContact O-CA 3.47Å; E421-G434 PolarHBondContact N-O 2.84Å; E421-G434 PolarHBondContact O-N 2.76Å; E421-K436 HydrophobicContact CB-CB 4.11Å; E421-K436 WeakPolarHBondContact OE2-CG 3.47Å; E421-V439 HydrophobicContact CG-CG1 4.48Å |
| 422 | V | 93.4 | Very high | 80.4 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 133 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 110 | R429 W432 L433 | V422-R429 WeakPolarHBondContact CG1-O 3.33Å; V422-W432 WeakPolarHBondContact CA-O 3.26Å; V422-L433 HydrophobicContact CB-CD2 4.33Å; V422-L433 HydrophobicContact CG2-CD2 3.63Å |
| 423 | L | 94.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | -67 | 130.8 | 177.6 | -62.6 | -174.2 | 0 | 0 | 0 | 110.5 | E421 L425 W432 V439 I486 I489 L510 A514 | E421-L423 PolarHBondContact O-N 2.88Å; L423-L425 HydrophobicContact CB-CD1 4.12Å; L423-L425 HydrophobicContact CB-CG 4.05Å; L423-L425 PolarHBondContact O-N 3.16Å; L423-W432 HydrophobicContact CD1-CB 4.35Å; L423-W432 HydrophobicContact CD1-CE3 4.3Å; L423-W432 HydrophobicContact CG-CB 4.47Å; L423-W432 PolarHBondContact N-O 3.36Å; L423-V439 HydrophobicContact CD2-CG2 3.7Å; L423-I486 HydrophobicContact CD2-CG1 4.46Å; L423-I486 HydrophobicContact CD2-CG2 3.86Å; L423-I489 HydrophobicContact CD1-CD1 4.26Å; L423-I489 HydrophobicContact CD1-CG2 4.05Å; L423-L510 HydrophobicContact CD1-CD2 4.43Å; L423-A514 HydrophobicContact CD1-CB 4.49Å | ||
| 424 | P | 93.6 | Very high | 83.3 | Confident | 52 Ų | 52 | 64 Ų | 64 | 34% | 0.338 | 35% | 0.353 | S | S | . | . | trans | -77.1 | 68.6 | -176.4 | 34 | -40.1 | 0 | 0 | 0 | 111.9 | I443 L490 | P424-I443 HydrophobicContact CG-CD1 3.83Å; P424-I443 HydrophobicContact CG-CG1 3.83Å; P424-L490 HydrophobicContact CG-CD1 4.32Å; P424-L490 HydrophobicContact CG-CD2 3.97Å | ||
| 425 | L | 91.7 | Very high | 84.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | trans | -93.3 | 157.7 | -178.4 | -65.6 | 172.5 | 0 | 0 | 0 | 112.2 | L423 P427 P428 W432 I489 L490 | L423-L425 HydrophobicContact CB-CD1 4.12Å; L423-L425 HydrophobicContact CB-CG 4.05Å; L423-L425 PolarHBondContact O-N 3.16Å; L425-P427 CarbonylContact C-O 3.52Å; L425-P427 CarbonylContact O-C 3.53Å; L425-P428 WeakPolarHBondContact O-CA 3.5Å; L425-W432 HydrophobicContact CD1-CD2 4.22Å; L425-W432 HydrophobicContact CD1-CE3 3.42Å; L425-W432 VanDerWaalsContact CD1-CE3 3.42Å; L425-W432 HydrophobicContact CD1-CZ3 3.83Å; L425-I489 HydrophobicContact CD2-CG2 4.2Å; L425-L490 HydrophobicContact CD2-CD2 3.74Å; L425-L490 HydrophobicContact CG-CD2 4.4Å | ||
| 426 | Q | 86.3 | Confident | 85.7 | Confident | 175 Ų | 175 | 62.2 Ų | 62.2 | 82% | 0.818 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -126.6 | 113.1 | 172.1 | -65.8 | -179.1 | 9.5 | 0 | 0 | 108.8 | ||
| 427 | P | 88.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 63 Ų | 63 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | S | Bend | cis | -67.8 | 154.2 | -4.4 | 30.2 | -35.6 | 0 | 0 | 0 | 113.1 | L425 | L425-P427 CarbonylContact C-O 3.52Å; L425-P427 CarbonylContact O-C 3.53Å |
| 428 | P | 89.3 | Confident | 88.3 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | trans | -60.3 | 147.6 | 177.7 | -23.4 | 33.9 | 0 | 0 | 0 | 113.2 | L425 | L425-P428 WeakPolarHBondContact O-CA 3.5Š| ||
| 429 | R | 92.4 | Very high | 89.7 | Confident | 114 Ų | 114 | 58.2 Ų | 58.2 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | trans | -134.4 | 105.2 | 174.4 | -65.4 | -173.1 | -178.2 | -163.5 | -2.4 | 109.7 | V422 D431 W432 | V422-R429 WeakPolarHBondContact CG1-O 3.33Å; R429-D431 VanDerWaalsContact C-N 3.26Å; R429-D431 PolarHBondContact O-N 3.44Å; R429-W432 HydrophobicContact CB-CB 4.06Å; R429-W432 HydrophobicContact CB-CD2 4.43Å; R429-W432 HydrophobicContact CB-CG 3.91Å; R429-W432 VanDerWaalsContact NH1-CH2 3.33Å; R429-W432 PolarHBondContact O-N 2.96Å | ||
| 430 | D | 89.4 | Confident | 90.6 | Very high | 132 Ų | 132 | 56.7 Ų | 56.7 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.8 | -171.7 | -60.6 | -29.5 | 0 | 0 | 0 | 113.7 | W432 | D430-W432 VanDerWaalsContact C-N 3.32Š|
| 431 | D | 91.1 | Very high | 91 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4 | 179 | 66.8 | -39.9 | 0 | 0 | 0 | 113.4 | R429 S511 | R429-D431 VanDerWaalsContact C-N 3.26Å; R429-D431 PolarHBondContact O-N 3.44Å; D431-S511 WeakPolarHBondContact O-CB 3.42Å; D431-S511 PolarHBondContact O-OG 2.92Å |
| 432 | W | 94.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 52 Ų | 52 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | trans | -96.9 | 97.6 | 178.5 | -76.7 | 37.5 | 0 | 0 | 0 | 109.5 | V422 L423 L425 R429 D430 I489 S511 A514 Y517 | V422-W432 WeakPolarHBondContact CA-O 3.26Å; L423-W432 HydrophobicContact CD1-CB 4.35Å; L423-W432 HydrophobicContact CD1-CE3 4.3Å; L423-W432 HydrophobicContact CG-CB 4.47Å; L423-W432 PolarHBondContact N-O 3.36Å; L425-W432 HydrophobicContact CD1-CD2 4.22Å; L425-W432 HydrophobicContact CD1-CE3 3.42Å; L425-W432 VanDerWaalsContact CD1-CE3 3.42Å; L425-W432 HydrophobicContact CD1-CZ3 3.83Å; R429-W432 HydrophobicContact CB-CB 4.06Å; R429-W432 HydrophobicContact CB-CD2 4.43Å; R429-W432 HydrophobicContact CB-CG 3.91Å; R429-W432 VanDerWaalsContact NH1-CH2 3.33Å; R429-W432 PolarHBondContact O-N 2.96Å; D430-W432 VanDerWaalsContact C-N 3.32Å; W432-I489 HydrophobicContact CE3-CG2 4.27Å; W432-I489 HydrophobicContact CZ3-CG2 3.96Å; W432-S511 WeakPolarHBondContact CA-OG 3.36Å; W432-A514 HydrophobicContact CB-CB 4.43Å; W432-A514 HydrophobicContact CD2-CB 4.04Å; W432-A514 HydrophobicContact CE3-CB 4.13Å; W432-A514 HydrophobicContact CG-CB 4.19Å; W432-Y517 AromaticContact CH2-CD1 3.29Å; W432-Y517 HydrophobicContact CH2-CD1 3.29Å; W432-Y517 AromaticContact CH2-CD2 3.69Å; W432-Y517 HydrophobicContact CH2-CD2 3.69Å; W432-Y517 AromaticContact CH2-CE1 3.89Å; W432-Y517 HydrophobicContact CH2-CE1 3.89Å; W432-Y517 HydrophobicContact CH2-CE2 4.24Å; W432-Y517 AromaticContact CH2-CG 3.17Å; W432-Y517 HydrophobicContact CH2-CG 3.17Å; W432-Y517 HydrophobicContact CZ2-CD1 4.39Å; W432-Y517 HydrophobicContact CZ2-CD2 4.39Å; W432-Y517 AromaticContact CZ2-CG 3.94Å; W432-Y517 HydrophobicContact CZ2-CG 3.94Å; W432-Y517 AromaticContact CZ3-CD1 3.49Å; W432-Y517 HydrophobicContact CZ3-CD1 3.49Å; W432-Y517 VanDerWaalsContact CZ3-CD1 3.49Å; W432-Y517 AromaticContact CZ3-CE1 3.93Å; W432-Y517 HydrophobicContact CZ3-CE1 3.93Å; W432-Y517 AromaticContact CZ3-CG 3.88Å; W432-Y517 HydrophobicContact CZ3-CG 3.88Å | ||
| 433 | L | 93.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 140.5 | -178.5 | -52 | 178.9 | 0 | 0 | 0 | 109.7 | E421 V422 L510 S511 Q616 L618 | E421-L433 CarbonylContact O-C 3.44Å; E421-L433 WeakPolarHBondContact O-CA 3.47Å; V422-L433 HydrophobicContact CB-CD2 4.33Å; V422-L433 HydrophobicContact CG2-CD2 3.63Å; L433-L510 CarbonylContact O-C 3.55Å; L433-L510 WeakPolarHBondContact O-CA 3.15Å; L433-S511 PolarHBondContact N-OG 3.37Å; L433-S511 PolarHBondContact O-N 3.42Å; L433-Q616 VanDerWaalsContact CD1-OE1 3.23Å; L433-L618 HydrophobicContact CB-CD2 4.19Å |
| 434 | G | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 159.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G420 E421 K436 L509 | G420-G434 CarbonylContact C-O 3.6Å; G420-G434 WeakPolarHBondContact CA-O 3.4Å; E421-G434 PolarHBondContact N-O 2.84Å; E421-G434 PolarHBondContact O-N 2.76Å; G434-K436 PolarHBondContact O-N 3.42Å; G434-L509 CarbonylContact C-O 3.6Å; G434-L509 VanDerWaalsContact CA-O 3.24Å; G434-L509 WeakPolarHBondContact CA-O 3.37Å |
| 435 | H | 89.7 | Confident | 91.6 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 118.2 | 173.2 | -177.7 | -83.3 | 0 | 0 | 0 | 111.9 | D415 L416 G437 M438 V439 L509 | D415-H435 VanDerWaalsContact C-NE2 3.25Å; D415-H435 PolarHBondContact O-CE1 2.9Å; D415-H435 PolarHBondContact O-NE2 2.81Å; L416-H435 WeakPolarHBondContact CA-NE2 3.45Å; H435-G437 PolarHBondContact ND1-N 3.39Å; H435-G437 PolarHBondContact O-N 3.34Å; H435-G437 VanDerWaalsContact O-N 3.17Å; H435-M438 HydrophobicContact CB-CB 4.34Å; H435-M438 HydrophobicContact CB-CE 4.25Å; H435-M438 HydrophobicContact CB-SD 4.35Å; H435-M438 WeakPolarHBondContact O-CA 3.35Å; H435-M438 PolarHBondContact O-N 2.88Å; H435-V439 WeakPolarHBondContact O-CG2 3.49Å; H435-V439 PolarHBondContact O-N 2.84Å; H435-L509 HydrophobicContact CB-CD1 4.08Å; H435-L509 PolarHBondContact N-O 2.89Å |
| 436 | K | 86.9 | Confident | 91.9 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -44 | -54.1 | -172.1 | 172.5 | 166.9 | -169.4 | 175.4 | 0 | 115 | A418 E419 E421 G434 M438 V439 Q440 | A418-K436 HydrophobicContact CB-CB 4.21Å; E419-K436 WeakPolarHBondContact O-CB 3.42Å; E419-K436 PolarHBondContact O-N 3.34Å; E419-K436 VanDerWaalsContact O-N 3.16Å; E421-K436 HydrophobicContact CB-CB 4.11Å; E421-K436 WeakPolarHBondContact OE2-CG 3.47Å; G434-K436 PolarHBondContact O-N 3.42Å; K436-M438 VanDerWaalsContact C-N 3.26Å; K436-M438 PolarHBondContact O-N 3.48Å; K436-V439 WeakPolarHBondContact O-CB 3.36Å; K436-V439 PolarHBondContact O-N 3.3Å; K436-Q440 WeakPolarHBondContact O-CG 3.28Å; K436-Q440 PolarHBondContact O-N 3.19Å |
| 437 | G | 85.8 | Confident | 92.3 | Very high | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -32.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H435 A441 | H435-G437 PolarHBondContact ND1-N 3.39Å; H435-G437 PolarHBondContact O-N 3.34Å; H435-G437 VanDerWaalsContact O-N 3.17Å; G437-A441 PolarHBondContact O-N 3.17Å; G437-A441 VanDerWaalsContact O-N 3.14Å |
| 438 | M | 91.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -83.7 | -28.4 | 179.3 | -64.4 | 176.7 | -137.1 | 0 | 0 | 111.8 | L416 H435 K436 A442 L479 I486 P506 L509 | L416-M438 HydrophobicContact CD2-CE 4.09Å; H435-M438 HydrophobicContact CB-CB 4.34Å; H435-M438 HydrophobicContact CB-CE 4.25Å; H435-M438 HydrophobicContact CB-SD 4.35Å; H435-M438 WeakPolarHBondContact O-CA 3.35Å; H435-M438 PolarHBondContact O-N 2.88Å; K436-M438 VanDerWaalsContact C-N 3.26Å; K436-M438 PolarHBondContact O-N 3.48Å; M438-A442 WeakPolarHBondContact O-CB 3.24Å; M438-A442 PolarHBondContact O-N 3.39Å; M438-L479 HydrophobicContact CE-CD1 3.41Å; M438-L479 VanDerWaalsContact CE-CD1 3.41Å; M438-L479 HydrophobicContact CG-CD1 3.44Å; M438-L479 VanDerWaalsContact CG-CD1 3.44Å; M438-L479 HydrophobicContact CG-CG 4.35Å; M438-L479 HydrophobicContact SD-CD1 3.78Å; M438-I486 HydrophobicContact CB-CD1 3.72Å; M438-P506 HydrophobicContact CE-CB 3.94Å; M438-P506 HydrophobicContact CE-CG 3.21Å; M438-P506 HydrophobicContact SD-CG 3.66Å; M438-L509 HydrophobicContact CB-CD1 4.28Å; M438-L509 HydrophobicContact CE-CD1 4.35Å; M438-L509 HydrophobicContact CG-CD1 4.46Å; M438-L509 HydrophobicContact SD-CD1 3.29Å; M438-L509 WeakPolarHBondContact SD-CD1 3.34Å |
| 439 | V | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 168.3 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | E421 L423 H435 K436 A441 A442 I443 I486 | E421-V439 HydrophobicContact CG-CG1 4.48Å; L423-V439 HydrophobicContact CD2-CG2 3.7Å; H435-V439 WeakPolarHBondContact O-CG2 3.49Å; H435-V439 PolarHBondContact O-N 2.84Å; K436-V439 WeakPolarHBondContact O-CB 3.36Å; K436-V439 PolarHBondContact O-N 3.3Å; V439-A441 PolarHBondContact O-N 2.93Å; V439-A442 PolarHBondContact O-N 3.43Å; V439-A442 VanDerWaalsContact O-N 3.17Å; V439-I443 HydrophobicContact CG1-CD1 3.87Å; V439-I443 HydrophobicContact CG1-CG1 4.5Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.26Å; V439-I443 PolarHBondContact O-N 3.27Å; V439-I486 HydrophobicContact CG2-CD1 3.87Å; V439-I486 HydrophobicContact CG2-CG2 4.46Å |
| 440 | Q | 91.2 | Very high | 93.1 | Very high | 86 Ų | 86 | 37.5 Ų | 37.5 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 177.3 | -69.1 | -178.9 | -32.5 | 0 | 0 | 112.1 | K436 A442 I443 Y444 | K436-Q440 WeakPolarHBondContact O-CG 3.28Å; K436-Q440 PolarHBondContact O-N 3.19Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 3.28Å; Q440-I443 PolarHBondContact O-N 3.05Å; Q440-Y444 PolarHBondContact O-N 2.92Å |
| 441 | A | 92.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G384 T386 G437 V439 Y444 I445 T483 | G384-A441 WeakPolarHBondContact O-CA 3.3Å; T386-A441 HydrophobicContact CG2-CB 4.43Å; G437-A441 PolarHBondContact O-N 3.17Å; G437-A441 VanDerWaalsContact O-N 3.14Å; V439-A441 PolarHBondContact O-N 2.93Å; A441-Y444 PolarHBondContact O-N 2.89Å; A441-I445 WeakPolarHBondContact O-CG1 3.26Å; A441-I445 PolarHBondContact O-N 3.35Å; A441-I445 VanDerWaalsContact O-N 3.09Å; A441-T483 HydrophobicContact CB-CG2 3.74Å |
| 442 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M438 V439 Q440 I445 R446 T483 I486 L487 L490 | M438-A442 WeakPolarHBondContact O-CB 3.24Å; M438-A442 PolarHBondContact O-N 3.39Å; V439-A442 PolarHBondContact O-N 3.43Å; V439-A442 VanDerWaalsContact O-N 3.17Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 3.28Å; A442-I445 PolarHBondContact O-N 3.27Å; A442-R446 WeakPolarHBondContact O-CB 3.42Å; A442-R446 PolarHBondContact O-N 3.17Å; A442-T483 HydrophobicContact CB-CG2 4.15Å; A442-I486 HydrophobicContact CB-CB 4.01Å; A442-I486 HydrophobicContact CB-CG2 3.66Å; A442-L487 HydrophobicContact CB-CB 4.09Å; A442-L490 HydrophobicContact CB-CD1 4.27Å |
| 443 | I | 95.4 | Very high | 93.6 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.1 | -65.8 | 163.7 | 0 | 0 | 0 | 110.5 | P424 V439 Q440 I445 R446 N447 | P424-I443 HydrophobicContact CG-CD1 3.83Å; P424-I443 HydrophobicContact CG-CG1 3.83Å; V439-I443 HydrophobicContact CG1-CD1 3.87Å; V439-I443 HydrophobicContact CG1-CG1 4.5Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.26Å; V439-I443 PolarHBondContact O-N 3.27Å; Q440-I443 PolarHBondContact O-N 3.05Å; I443-I445 PolarHBondContact O-N 2.75Å; I443-R446 PolarHBondContact O-N 3.49Å; I443-N447 VanDerWaalsContact O-CG 3.26Å; I443-N447 PolarHBondContact O-N 2.97Å; I443-N447 PolarHBondContact O-OD1 3.49Å |
| 444 | Y | 94.8 | Very high | 93.7 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 18% | 0.18 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.3 | -51.3 | 176.6 | 168 | -101.7 | 0 | 0 | 0 | 111.7 | E385 Q440 A441 R446 N447 K448 | E385-Y444 HydrophobicContact CB-CD1 4.21Å; E385-Y444 HydrophobicContact CB-CE1 3.97Å; E385-Y444 HydrophobicContact CB-CE2 4.28Å; E385-Y444 HydrophobicContact CB-CG 4.47Å; E385-Y444 HydrophobicContact CG-CD1 4.25Å; E385-Y444 HydrophobicContact CG-CD2 3.74Å; E385-Y444 HydrophobicContact CG-CE1 4.2Å; E385-Y444 HydrophobicContact CG-CE2 3.66Å; E385-Y444 HydrophobicContact CG-CG 4.01Å; E385-Y444 WeakPolarHBondContact OE2-CE2 3.47Å; E385-Y444 PolarHBondContact OE2-OH 3.48Å; Q440-Y444 PolarHBondContact O-N 2.92Å; A441-Y444 PolarHBondContact O-N 2.89Å; Y444-R446 PolarHBondContact O-N 3.3Å; Y444-N447 PolarHBondContact O-N 3.43Å; Y444-K448 HydrophobicContact CE1-CD 4.46Å; Y444-K448 WeakPolarHBondContact O-CB 3.33Å; Y444-K448 PolarHBondContact O-N 2.98Å |
| 445 | I | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | -179.6 | -65.4 | 174.2 | 0 | 0 | 0 | 110.6 | T386 F388 I403 A441 A442 I443 N447 K448 L449 T483 L487 | T386-I445 HydrophobicContact CG2-CD1 3.72Å; F388-I445 HydrophobicContact CB-CD1 4.32Å; F388-I445 HydrophobicContact CD1-CD1 4.03Å; F388-I445 HydrophobicContact CD1-CG1 3.78Å; F388-I445 HydrophobicContact CD1-CG2 4.24Å; F388-I445 HydrophobicContact CD2-CG2 4.3Å; F388-I445 HydrophobicContact CE1-CB 4.46Å; F388-I445 HydrophobicContact CE1-CG1 3.98Å; F388-I445 HydrophobicContact CE1-CG2 4.14Å; F388-I445 HydrophobicContact CE2-CG2 4.21Å; F388-I445 HydrophobicContact CG-CD1 4.3Å; F388-I445 HydrophobicContact CG-CG1 4.41Å; F388-I445 HydrophobicContact CG-CG2 4.31Å; F388-I445 HydrophobicContact CZ-CG2 4.13Å; I403-I445 HydrophobicContact CD1-CD1 3.74Å; I403-I445 HydrophobicContact CG1-CD1 4.02Å; I403-I445 HydrophobicContact CG2-CD1 3.75Å; A441-I445 WeakPolarHBondContact O-CG1 3.26Å; A441-I445 PolarHBondContact O-N 3.35Å; A441-I445 VanDerWaalsContact O-N 3.09Å; A442-I445 PolarHBondContact O-N 3.27Å; I443-I445 PolarHBondContact O-N 2.75Å; I445-N447 PolarHBondContact O-N 2.98Å; I445-K448 PolarHBondContact O-N 2.9Å; I445-L449 HydrophobicContact CG2-CD1 3.77Å; I445-L449 HydrophobicContact CG2-CG 4.07Å; I445-L449 WeakPolarHBondContact O-CB 3.49Å; I445-L449 WeakPolarHBondContact O-CG 3.43Å; I445-L449 PolarHBondContact O-N 2.9Å; I445-T483 HydrophobicContact CD1-CG2 4.03Å; I445-L487 HydrophobicContact CB-CD2 4.18Å; I445-L487 HydrophobicContact CG2-CD2 3.56Å |
| 446 | R | 96.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 18% | 0.177 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -50 | 176.2 | 177.1 | -179.6 | 153.7 | -165 | -3.6 | 111.6 | A442 I443 Y444 K448 L449 Q450 L487 L491 | A442-R446 WeakPolarHBondContact O-CB 3.42Å; A442-R446 PolarHBondContact O-N 3.17Å; I443-R446 PolarHBondContact O-N 3.49Å; Y444-R446 PolarHBondContact O-N 3.3Å; R446-K448 VanDerWaalsContact C-N 3.31Å; R446-K448 PolarHBondContact O-N 3.33Å; R446-L449 PolarHBondContact O-N 3.28Å; R446-Q450 WeakPolarHBondContact O-CG 3.41Å; R446-Q450 PolarHBondContact O-N 3.35Å; R446-Q450 VanDerWaalsContact O-N 3.09Å; R446-L487 HydrophobicContact CB-CD1 3.71Å; R446-L491 HydrophobicContact CG-CD2 4.39Å |
| 447 | N | 96.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 179.6 | -67.3 | -6.4 | 0 | 0 | 0 | 110.5 | I443 Y444 I445 L449 Q450 E451 | I443-N447 VanDerWaalsContact O-CG 3.26Å; I443-N447 PolarHBondContact O-N 2.97Å; I443-N447 PolarHBondContact O-OD1 3.49Å; Y444-N447 PolarHBondContact O-N 3.43Å; I445-N447 PolarHBondContact O-N 2.98Å; N447-L449 PolarHBondContact O-N 2.85Å; N447-Q450 PolarHBondContact O-N 3.34Å; N447-E451 WeakPolarHBondContact O-CB 3.29Å; N447-E451 VanDerWaalsContact O-CG 3.3Å; N447-E451 WeakPolarHBondContact O-CG 3.29Å; N447-E451 PolarHBondContact O-N 3.22Å |
| 448 | K | 95.5 | Very high | 94.9 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.4 | -163.6 | 163.8 | -158.9 | 175.2 | 0 | 113.3 | Y376 F388 Y444 I445 R446 Q450 E452 | Y376-K448 WeakPolarHBondContact OH-CD 3.37Å; Y376-K448 WeakPolarHBondContact OH-CE 3.33Å; Y376-K448 PolarHBondContact OH-NZ 2.82Å; F388-K448 HydrophobicContact CE1-CD 4.02Å; F388-K448 HydrophobicContact CZ-CB 4.39Å; F388-K448 HydrophobicContact CZ-CD 4.08Å; F388-K448 HydrophobicContact CZ-CG 4.29Å; Y444-K448 HydrophobicContact CE1-CD 4.46Å; Y444-K448 WeakPolarHBondContact O-CB 3.33Å; Y444-K448 PolarHBondContact O-N 2.98Å; I445-K448 PolarHBondContact O-N 2.9Å; R446-K448 VanDerWaalsContact C-N 3.31Å; R446-K448 PolarHBondContact O-N 3.33Å; K448-Q450 VanDerWaalsContact C-N 3.26Å; K448-Q450 PolarHBondContact O-N 2.58Å; K448-E452 WeakPolarHBondContact CE-OE1 3.3Å; K448-E452 IonicContact NZ-OE1 3.5Å; K448-E452 WeakPolarHBondContact O-CB 3.24Å; K448-E452 PolarHBondContact O-N 3.28Å; K448-E452 VanDerWaalsContact O-N 3.08Å |
| 449 | L | 96.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 175.3 | -69.6 | 166.5 | 0 | 0 | 0 | 111.9 | F388 V390 I401 I445 R446 N447 N453 L454 I455 L487 L491 | F388-L449 HydrophobicContact CE2-CD2 4.05Å; V390-L449 HydrophobicContact CG2-CD2 3.99Å; I401-L449 HydrophobicContact CD1-CD1 3.7Å; I401-L449 HydrophobicContact CD1-CD2 3.93Å; I445-L449 HydrophobicContact CG2-CD1 3.77Å; I445-L449 HydrophobicContact CG2-CG 4.07Å; I445-L449 WeakPolarHBondContact O-CB 3.49Å; I445-L449 WeakPolarHBondContact O-CG 3.43Å; I445-L449 PolarHBondContact O-N 2.9Å; R446-L449 PolarHBondContact O-N 3.28Å; N447-L449 PolarHBondContact O-N 2.85Å; L449-N453 CarbonylContact O-C 3.58Å; L449-N453 WeakPolarHBondContact O-CA 3.4Å; L449-N453 PolarHBondContact O-N 2.86Å; L449-L454 HydrophobicContact CD2-CB 3.92Å; L449-L454 HydrophobicContact CD2-CD1 4.02Å; L449-L454 PolarHBondContact O-N 2.92Å; L449-I455 HydrophobicContact CD2-CG1 4.3Å; L449-L487 HydrophobicContact CD1-CD2 4.16Å; L449-L491 HydrophobicContact CD1-CD1 4.41Å |
| 450 | Q | 95.4 | Very high | 95.1 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.8 | -49.7 | 179.5 | -70.5 | -179.5 | -30.9 | 0 | 0 | 112.1 | R446 N447 K448 E452 N453 | R446-Q450 WeakPolarHBondContact O-CG 3.41Å; R446-Q450 PolarHBondContact O-N 3.35Å; R446-Q450 VanDerWaalsContact O-N 3.09Å; N447-Q450 PolarHBondContact O-N 3.34Å; K448-Q450 VanDerWaalsContact C-N 3.26Å; K448-Q450 PolarHBondContact O-N 2.58Å; Q450-E452 PolarHBondContact O-N 3.48Å; Q450-N453 PolarHBondContact O-N 3.07Å |
| 451 | E | 95.7 | Very high | 95.1 | Very high | 152 Ų | 152 | 49.7 Ų | 49.7 | 71% | 0.71 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.2 | -42.6 | -178.6 | -73 | 171.7 | -169.5 | 0 | 0 | 112.1 | N447 | N447-E451 WeakPolarHBondContact O-CB 3.29Å; N447-E451 VanDerWaalsContact O-CG 3.3Å; N447-E451 WeakPolarHBondContact O-CG 3.29Å; N447-E451 PolarHBondContact O-N 3.22Å |
| 452 | E | 94.4 | Very high | 95 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.7 | -179.6 | -64.9 | 179.5 | -154 | 0 | 0 | 113.3 | Y376 K448 Q450 L454 R457 | Y376-E452 VanDerWaalsContact CE2-OE2 3.24Å; Y376-E452 WeakPolarHBondContact CE2-OE2 3.32Å; K448-E452 WeakPolarHBondContact CE-OE1 3.3Å; K448-E452 IonicContact NZ-OE1 3.5Å; K448-E452 WeakPolarHBondContact O-CB 3.24Å; K448-E452 PolarHBondContact O-N 3.28Å; K448-E452 VanDerWaalsContact O-N 3.08Å; Q450-E452 PolarHBondContact O-N 3.48Å; E452-L454 HydrophobicContact CB-CD1 4.38Å; E452-L454 HydrophobicContact CB-CD2 3.83Å; E452-L454 HydrophobicContact CB-CG 3.78Å; E452-L454 PolarHBondContact O-N 3.38Å; E452-R457 VanDerWaalsContact O-CD 3.26Å; E452-R457 WeakPolarHBondContact O-CD 3.45Å |
| 453 | N | 95 | Very high | 94.6 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.1 | -177.9 | -65.5 | -78.2 | 0 | 0 | 0 | 113.6 | L449 Q450 I455 E456 R457 | L449-N453 CarbonylContact O-C 3.58Å; L449-N453 WeakPolarHBondContact O-CA 3.4Å; L449-N453 PolarHBondContact O-N 2.86Å; Q450-N453 PolarHBondContact O-N 3.07Å; N453-I455 PolarHBondContact O-N 3.29Å; N453-E456 PolarHBondContact O-N 2.92Å; N453-R457 WeakPolarHBondContact O-CB 3.26Å; N453-R457 VanDerWaalsContact O-CG 3.27Å; N453-R457 WeakPolarHBondContact O-CG 2.98Å; N453-R457 PolarHBondContact O-N 2.92Å |
| 454 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | -168.7 | -64.9 | 178.1 | 0 | 0 | 0 | 113.4 | Y376 F388 V390 L449 E452 A458 | Y376-L454 HydrophobicContact CD1-CD1 3.84Å; Y376-L454 HydrophobicContact CD2-CD1 4.14Å; Y376-L454 HydrophobicContact CD2-CD2 3.8Å; Y376-L454 HydrophobicContact CE1-CD1 3.99Å; Y376-L454 HydrophobicContact CE2-CD1 4.28Å; Y376-L454 HydrophobicContact CE2-CD2 4.43Å; Y376-L454 HydrophobicContact CG-CD1 3.91Å; Y376-L454 HydrophobicContact CG-CD2 3.94Å; F388-L454 HydrophobicContact CE2-CD1 4.17Å; F388-L454 HydrophobicContact CZ-CD1 4.24Å; V390-L454 HydrophobicContact CG2-CB 4.31Å; V390-L454 HydrophobicContact CG2-CD1 4.39Å; L449-L454 HydrophobicContact CD2-CB 3.92Å; L449-L454 HydrophobicContact CD2-CD1 4.02Å; L449-L454 PolarHBondContact O-N 2.92Å; E452-L454 HydrophobicContact CB-CD1 4.38Å; E452-L454 HydrophobicContact CB-CD2 3.83Å; E452-L454 HydrophobicContact CB-CG 3.78Å; E452-L454 PolarHBondContact O-N 3.38Å; L454-A458 WeakPolarHBondContact O-CB 3.47Å; L454-A458 PolarHBondContact O-N 3.06Å; L454-A458 VanDerWaalsContact O-N 3.07Å |
| 455 | I | 95.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -48.6 | 177.8 | -59.9 | 175.2 | 0 | 0 | 0 | 109.6 | I401 L449 N453 R457 A458 L459 L472 | I401-I455 HydrophobicContact CD1-CD1 4.21Å; I401-I455 HydrophobicContact CD1-CG1 4.23Å; L449-I455 HydrophobicContact CD2-CG1 4.3Å; N453-I455 PolarHBondContact O-N 3.29Å; I455-R457 PolarHBondContact O-N 3.31Å; I455-A458 WeakPolarHBondContact O-CB 3.26Å; I455-A458 PolarHBondContact O-N 3.03Å; I455-A458 VanDerWaalsContact O-N 3.16Å; I455-L459 HydrophobicContact CG2-CD1 3.98Å; I455-L459 HydrophobicContact CG2-CG 4.45Å; I455-L459 WeakPolarHBondContact O-CG 3.32Å; I455-L459 PolarHBondContact O-N 3.35Å; I455-L472 HydrophobicContact CD1-CD2 4.11Å |
| 456 | E | 94.4 | Very high | 94 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 179.7 | -168.9 | 62.3 | -163 | 0 | 0 | 111.5 | N453 A458 L459 Q460 | N453-E456 PolarHBondContact O-N 2.92Å; E456-A458 VanDerWaalsContact C-N 3.29Å; E456-A458 PolarHBondContact O-N 3.32Å; E456-L459 PolarHBondContact O-N 3.37Å; E456-Q460 HydrophobicContact CG-CG 4.34Å; E456-Q460 WeakPolarHBondContact O-CB 3.17Å; E456-Q460 WeakPolarHBondContact O-CG 3.38Å; E456-Q460 PolarHBondContact O-N 3.4Å; E456-Q460 PolarHBondContact OE1-NE2 3.01Å |
| 457 | R | 94.4 | Very high | 93.8 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.1 | -44.7 | 172.4 | -76.8 | 171 | 64.7 | -174.5 | 0 | 111.4 | E349 E452 N453 I455 Q460 R461 | E349-R457 IonicContact OE2-CZ 3.99Å; E349-R457 IonicContact OE2-NH1 2.85Å; E349-R457 PolarHBondContact OE2-NH1 3.25Å; E349-R457 IonicContact OE2-NH2 3.73Å; E349-R457 PolarHBondContact OE2-NH2 3.06Å; E452-R457 VanDerWaalsContact O-CD 3.26Å; E452-R457 WeakPolarHBondContact O-CD 3.45Å; N453-R457 WeakPolarHBondContact O-CB 3.26Å; N453-R457 VanDerWaalsContact O-CG 3.27Å; N453-R457 WeakPolarHBondContact O-CG 2.98Å; N453-R457 PolarHBondContact O-N 2.92Å; I455-R457 PolarHBondContact O-N 3.31Å; R457-Q460 PolarHBondContact O-N 3.18Å; R457-R461 WeakPolarHBondContact O-CB 3.45Å; R457-R461 PolarHBondContact O-N 3.39Å |
| 458 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V375 V390 I392 V399 L454 I455 E456 Q460 R461 | V375-A458 HydrophobicContact CG2-CB 3.97Å; V390-A458 HydrophobicContact CG1-CB 4.17Å; I392-A458 HydrophobicContact CD1-CB 4.33Å; I392-A458 VanDerWaalsContact CD1-O 3.24Å; I392-A458 WeakPolarHBondContact CD1-O 3.5Å; I392-A458 HydrophobicContact CG1-CB 4.09Å; V399-A458 HydrophobicContact CG1-CB 3.78Å; V399-A458 HydrophobicContact CG2-CB 4.03Å; L454-A458 WeakPolarHBondContact O-CB 3.47Å; L454-A458 PolarHBondContact O-N 3.06Å; L454-A458 VanDerWaalsContact O-N 3.07Å; I455-A458 WeakPolarHBondContact O-CB 3.26Å; I455-A458 PolarHBondContact O-N 3.03Å; I455-A458 VanDerWaalsContact O-N 3.16Å; E456-A458 VanDerWaalsContact C-N 3.29Å; E456-A458 PolarHBondContact O-N 3.32Å; A458-Q460 VanDerWaalsContact C-N 3.29Å; A458-Q460 PolarHBondContact O-N 2.99Å; A458-R461 PolarHBondContact O-N 2.73Å |
| 459 | L | 94.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 178 | -69.2 | 172.4 | 0 | 0 | 0 | 112.8 | V399 I455 E456 T467 H468 F470 | V399-L459 HydrophobicContact CG2-CD2 3.73Å; V399-L459 HydrophobicContact CG2-CG 4.21Å; I455-L459 HydrophobicContact CG2-CD1 3.98Å; I455-L459 HydrophobicContact CG2-CG 4.45Å; I455-L459 WeakPolarHBondContact O-CG 3.32Å; I455-L459 PolarHBondContact O-N 3.35Å; E456-L459 PolarHBondContact O-N 3.37Å; L459-T467 WeakPolarHBondContact CD2-O 3.29Å; L459-T467 CarbonylContact O-C 3.53Å; L459-T467 VanDerWaalsContact O-C 3.29Å; L459-T467 VanDerWaalsContact O-CB 3.25Å; L459-T467 WeakPolarHBondContact O-CB 3.33Å; L459-T467 PolarHBondContact O-OG1 3.3Å; L459-H468 PolarHBondContact O-N 3.2Å; L459-H468 VanDerWaalsContact O-N 3.12Å; L459-F470 HydrophobicContact CD2-CB 4.25Å |
| 460 | Q | 93.8 | Very high | 93.5 | Very high | 119 Ų | 119 | 70.7 Ų | 70.7 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -93.5 | -9.2 | 179.6 | -65.9 | -176.7 | 0.2 | 0 | 0 | 114.2 | E456 R457 A458 N462 P463 | E456-Q460 HydrophobicContact CG-CG 4.34Å; E456-Q460 WeakPolarHBondContact O-CB 3.17Å; E456-Q460 WeakPolarHBondContact O-CG 3.38Å; E456-Q460 PolarHBondContact O-N 3.4Å; E456-Q460 PolarHBondContact OE1-NE2 3.01Å; R457-Q460 PolarHBondContact O-N 3.18Å; A458-Q460 VanDerWaalsContact C-N 3.29Å; A458-Q460 PolarHBondContact O-N 2.99Å; Q460-N462 PolarHBondContact O-N 2.88Å; Q460-P463 WeakPolarHBondContact O-CD 3.49Å; Q460-P463 WeakPolarHBondContact O-CG 3.4Å |
| 461 | R | 90.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -63.5 | -34.9 | -171.1 | -168.8 | 162 | 173.4 | 103.6 | -14.9 | 114.4 | D347 D373 I392 R457 A458 | D347-R461 PolarHBondContact O-NH1 3.3Å; D347-R461 PolarHBondContact O-NH2 3.32Å; D347-R461 IonicContact OD2-CZ 3.23Å; D347-R461 IonicContact OD2-NH1 2.77Å; D347-R461 PolarHBondContact OD2-NH1 3.02Å; D373-R461 IonicContact OD1-NH2 3.49Å; D373-R461 WeakPolarHBondContact OD2-CD 3.5Å; D373-R461 IonicContact OD2-CZ 3.4Å; D373-R461 IonicContact OD2-NE 2.71Å; D373-R461 PolarHBondContact OD2-NE 2.69Å; D373-R461 IonicContact OD2-NH2 3.84Å; I392-R461 HydrophobicContact CD1-CB 3.89Å; I392-R461 HydrophobicContact CD1-CG 4.39Å; R457-R461 WeakPolarHBondContact O-CB 3.45Å; R457-R461 PolarHBondContact O-N 3.39Å; A458-R461 PolarHBondContact O-N 2.73Å |
| 462 | N | 90 | Very high | 93.6 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | trans | -140.3 | 73.9 | -179 | -162.1 | -19.7 | 0 | 0 | 0 | 112.3 | Y394 Q460 D464 R465 T467 | Y394-N462 HydrophobicContact CE1-CB 4.31Å; Q460-N462 PolarHBondContact O-N 2.88Å; N462-D464 PolarHBondContact O-N 3.23Å; N462-R465 PolarHBondContact O-N 3.41Å; N462-T467 VanDerWaalsContact C-OG1 3.23Å; N462-T467 HydrophobicContact CB-CG2 3.97Å; N462-T467 PolarHBondContact N-OG1 3.14Å; N462-T467 WeakPolarHBondContact O-CG2 3.5Å; N462-T467 PolarHBondContact O-OG1 3.04Å | ||
| 463 | P | 88.6 | Confident | 93.8 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.6 | -175 | -23.6 | 35.5 | 0 | 0 | 0 | 113.6 | Q460 R465 Q466 | Q460-P463 WeakPolarHBondContact O-CD 3.49Å; Q460-P463 WeakPolarHBondContact O-CG 3.4Å; P463-R465 PolarHBondContact O-N 2.96Å; P463-Q466 WeakPolarHBondContact O-CA 3.44Å; P463-Q466 PolarHBondContact O-N 3.27Å |
| 464 | D | 91.2 | Very high | 94 | Very high | 156 Ų | 156 | 56.8 Ų | 56.8 | 83% | 0.834 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -59.9 | -29.7 | 178 | -64.1 | -25.8 | 0 | 0 | 0 | 112.2 | N462 Q466 | N462-D464 PolarHBondContact O-N 3.23Å; D464-Q466 VanDerWaalsContact C-N 3.31Å |
| 465 | R | 92.4 | Very high | 94.1 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -93 | 13.4 | 175.8 | -60 | -166.8 | 72.3 | 175.8 | 7.8 | 113.3 | D371 Y394 N462 P463 T467 | D371-R465 VanDerWaalsContact CG-NH1 3.34Å; D371-R465 IonicContact OD1-NH1 3.8Å; D371-R465 PolarHBondContact OD1-NH1 2.95Å; D371-R465 IonicContact OD2-CZ 3.17Å; D371-R465 IonicContact OD2-NH1 2.69Å; D371-R465 PolarHBondContact OD2-NH1 2.8Å; D371-R465 IonicContact OD2-NH2 2.68Å; D371-R465 PolarHBondContact OD2-NH2 3.39Å; Y394-R465 VanDerWaalsContact CB-CZ 3.47Å; Y394-R465 HydrophobicContact CD1-CB 4.15Å; Y394-R465 HydrophobicContact CE1-CB 4.05Å; Y394-R465 HydrophobicContact CE1-CG 4.46Å; N462-R465 PolarHBondContact O-N 3.41Å; P463-R465 PolarHBondContact O-N 2.96Å; R465-T467 VanDerWaalsContact C-N 3.28Å; R465-T467 PolarHBondContact O-N 2.98Å |
| 466 | Q | 91.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 35.4 | -179.7 | -55 | 177.1 | -15.9 | 0 | 0 | 113.5 | P463 D464 H468 T469 F470 | P463-Q466 WeakPolarHBondContact O-CA 3.44Å; P463-Q466 PolarHBondContact O-N 3.27Å; D464-Q466 VanDerWaalsContact C-N 3.31Å; Q466-H468 PolarHBondContact O-N 3.44Å; Q466-H468 VanDerWaalsContact O-N 3.11Å; Q466-T469 HydrophobicContact CB-CG2 4.5Å; Q466-T469 PolarHBondContact O-N 3.49Å; Q466-T469 PolarHBondContact O-OG1 2.89Å; Q466-F470 WeakPolarHBondContact O-CD1 3.46Å; Q466-F470 WeakPolarHBondContact O-CE1 3.34Å |
| 467 | T | 92.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -58 | -26.7 | -178.2 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | I392 Y394 L459 N462 R465 T469 F470 | I392-T467 HydrophobicContact CG2-CG2 4.21Å; Y394-T467 HydrophobicContact CD1-CG2 4.42Å; Y394-T467 HydrophobicContact CE1-CG2 3.66Å; L459-T467 WeakPolarHBondContact CD2-O 3.29Å; L459-T467 CarbonylContact O-C 3.53Å; L459-T467 VanDerWaalsContact O-C 3.29Å; L459-T467 VanDerWaalsContact O-CB 3.25Å; L459-T467 WeakPolarHBondContact O-CB 3.33Å; L459-T467 PolarHBondContact O-OG1 3.3Å; N462-T467 VanDerWaalsContact C-OG1 3.23Å; N462-T467 HydrophobicContact CB-CG2 3.97Å; N462-T467 PolarHBondContact N-OG1 3.14Å; N462-T467 WeakPolarHBondContact O-CG2 3.5Å; N462-T467 PolarHBondContact O-OG1 3.04Å; R465-T467 VanDerWaalsContact C-N 3.28Å; R465-T467 PolarHBondContact O-N 2.98Å; T467-T469 PolarHBondContact O-N 3.1Å; T467-T469 VanDerWaalsContact O-N 3.1Å; T467-F470 HydrophobicContact CG2-CD2 4.35Å; T467-F470 HydrophobicContact CG2-CE2 3.99Å; T467-F470 HydrophobicContact CG2-CZ 4.13Å; T467-F470 VanDerWaalsContact O-CB 3.29Å; T467-F470 WeakPolarHBondContact O-CB 3.36Å; T467-F470 WeakPolarHBondContact O-CG 3.33Å; T467-F470 PolarHBondContact O-N 3.38Å |
| 468 | H | 92.1 | Very high | 94.3 | Very high | 126 Ų | 126 | 47.2 Ų | 47.2 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -62.2 | -15.2 | 174.8 | 65.6 | -86.5 | 0 | 0 | 0 | 114.4 | L459 Q466 | L459-H468 PolarHBondContact O-N 3.2Å; L459-H468 VanDerWaalsContact O-N 3.12Å; Q466-H468 PolarHBondContact O-N 3.44Å; Q466-H468 VanDerWaalsContact O-N 3.11Å |
| 469 | T | 92.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -97.6 | 1.6 | 177 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | R397 Q466 T467 | R397-T469 PolarHBondContact NH2-OG1 3.18Å; Q466-T469 HydrophobicContact CB-CG2 4.5Å; Q466-T469 PolarHBondContact O-N 3.49Å; Q466-T469 PolarHBondContact O-OG1 2.89Å; T467-T469 PolarHBondContact O-N 3.1Å; T467-T469 VanDerWaalsContact O-N 3.1Å |
| 470 | F | 96.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 142.8 | -171.9 | -75.9 | 18.9 | 0 | 0 | 0 | 110.9 | I392 Y394 R397 V399 L459 Q466 T467 | I392-F470 HydrophobicContact CG2-CD2 3.85Å; I392-F470 HydrophobicContact CG2-CE2 3.62Å; Y394-F470 AromaticContact CD1-CE2 3.76Å; Y394-F470 HydrophobicContact CD1-CE2 3.76Å; Y394-F470 AromaticContact CD1-CZ 3.86Å; Y394-F470 HydrophobicContact CD1-CZ 3.86Å; Y394-F470 HydrophobicContact CE1-CE2 4.28Å; R397-F470 HydrophobicContact CB-CD1 3.71Å; R397-F470 HydrophobicContact CB-CD2 4.5Å; R397-F470 HydrophobicContact CB-CE1 3.69Å; R397-F470 HydrophobicContact CB-CE2 4.47Å; R397-F470 HydrophobicContact CB-CG 4.14Å; R397-F470 HydrophobicContact CB-CZ 4.08Å; R397-F470 HydrophobicContact CG-CD1 4.34Å; R397-F470 HydrophobicContact CG-CE1 3.83Å; R397-F470 HydrophobicContact CG-CZ 4.12Å; R397-F470 WeakPolarHBondContact O-CA 3.34Å; R397-F470 VanDerWaalsContact O-CB 3.25Å; R397-F470 WeakPolarHBondContact O-CB 3.32Å; R397-F470 WeakPolarHBondContact O-CG 3.26Å; V399-F470 HydrophobicContact CG2-CB 4.34Å; L459-F470 HydrophobicContact CD2-CB 4.25Å; Q466-F470 WeakPolarHBondContact O-CD1 3.46Å; Q466-F470 WeakPolarHBondContact O-CE1 3.34Å; T467-F470 HydrophobicContact CG2-CD2 4.35Å; T467-F470 HydrophobicContact CG2-CE2 3.99Å; T467-F470 HydrophobicContact CG2-CZ 4.13Å; T467-F470 VanDerWaalsContact O-CB 3.29Å; T467-F470 WeakPolarHBondContact O-CB 3.36Å; T467-F470 WeakPolarHBondContact O-CG 3.33Å; T467-F470 PolarHBondContact O-N 3.38Å |
| 471 | D | 96 | Very high | 94.3 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 161.1 | 176.2 | -73.8 | -48.5 | 0 | 0 | 0 | 111.4 | R397 A398 V399 T497 | R397-D471 PolarHBondContact O-N 3.43Å; R397-D471 VanDerWaalsContact O-N 3.08Å; A398-D471 CarbonylContact C-O 3.58Å; A398-D471 WeakPolarHBondContact CA-O 3.4Å; V399-D471 PolarHBondContact N-O 3.2Å; D471-T497 WeakPolarHBondContact OD1-CB 3.35Å; D471-T497 PolarHBondContact OD1-OG1 2.85Å |
| 472 | L | 97.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.9 | 177.1 | -172.4 | 58.1 | 0 | 0 | 0 | 111 | V399 I401 I455 L474 L491 H495 L498 Q499 | V399-L472 HydrophobicContact CB-CD1 4.25Å; V399-L472 HydrophobicContact CG1-CD1 4.21Å; I401-L472 HydrophobicContact CD1-CD1 3.81Å; I401-L472 HydrophobicContact CG1-CD1 4.09Å; I455-L472 HydrophobicContact CD1-CD2 4.11Å; L472-L474 HydrophobicContact CG-CD1 4.19Å; L472-L491 HydrophobicContact CD2-CD1 4.3Å; L472-H495 HydrophobicContact CD2-CB 4.15Å; L472-L498 HydrophobicContact CB-CB 4.44Å; L472-L498 HydrophobicContact CB-CD1 4.37Å; L472-L498 HydrophobicContact CD2-CD1 3.68Å; L472-L498 HydrophobicContact CG-CD1 3.97Å; L472-L498 VanDerWaalsContact O-CA 3.27Å; L472-L498 WeakPolarHBondContact O-CA 3.3Å; L472-Q499 PolarHBondContact O-N 3.25Å; L472-Q499 VanDerWaalsContact O-N 3.08Å |
| 473 | V | 98.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | Y307 A398 V399 V400 I401 V475 Q499 F501 | Y307-V473 HydrophobicContact CD1-CG1 4.1Å; Y307-V473 HydrophobicContact CD2-CG1 4.24Å; Y307-V473 HydrophobicContact CE1-CB 4.36Å; Y307-V473 HydrophobicContact CE1-CG1 3.87Å; Y307-V473 HydrophobicContact CE2-CG1 3.97Å; Y307-V473 HydrophobicContact CE2-CG2 4.44Å; Y307-V473 HydrophobicContact CG-CG1 4.29Å; A398-V473 HydrophobicContact CB-CB 4.47Å; A398-V473 HydrophobicContact CB-CG2 3.79Å; V399-V473 PolarHBondContact O-N 3.03Å; V400-V473 CarbonylContact C-O 3.57Å; V400-V473 VanDerWaalsContact CA-O 3.29Å; V400-V473 WeakPolarHBondContact CA-O 3.4Å; V400-V473 HydrophobicContact CG2-CB 4.49Å; I401-V473 PolarHBondContact N-O 2.85Å; V473-V475 HydrophobicContact CG1-CG2 3.91Å; V473-Q499 CarbonylContact C-O 3.55Å; V473-Q499 WeakPolarHBondContact CA-O 2.81Å; V473-F501 HydrophobicContact CG1-CD2 3.73Å; V473-F501 HydrophobicContact CG1-CE2 3.9Å |
| 474 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.9 | 172.7 | -72.9 | 86.7 | 0 | 0 | 0 | 110.5 | I401 L472 A484 L487 A488 L498 Q499 C500 F501 | I401-L474 HydrophobicContact CB-CG 4.44Å; I401-L474 WeakPolarHBondContact O-CA 3Å; L472-L474 HydrophobicContact CG-CD1 4.19Å; L474-A484 HydrophobicContact CB-CB 4.35Å; L474-A484 WeakPolarHBondContact CD2-O 3.4Å; L474-L487 HydrophobicContact CD2-CB 3.73Å; L474-L487 HydrophobicContact CD2-CD2 3.63Å; L474-L487 HydrophobicContact CD2-CG 3.57Å; L474-A488 HydrophobicContact CD1-CB 4.38Å; L474-A488 HydrophobicContact CD2-CB 4.16Å; L474-L498 HydrophobicContact CD1-CD1 3.18Å; L474-L498 HydrophobicContact CD1-CD2 4.12Å; L474-L498 HydrophobicContact CD1-CG 3.66Å; L474-Q499 PolarHBondContact N-O 2.87Å; L474-C500 HydrophobicContact CB-CB 4.19Å; L474-C500 CarbonylContact O-C 3.37Å; L474-C500 VanDerWaalsContact O-CA 3.26Å; L474-C500 WeakPolarHBondContact O-CA 3.4Å; L474-F501 PolarHBondContact O-N 3.42Å |
| 475 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.3 | -177 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | Y307 F310 A311 V400 I401 S402 I403 V473 F501 Y503 | Y307-V475 HydrophobicContact CD1-CG2 3.92Å; Y307-V475 HydrophobicContact CG-CG2 4.09Å; Y307-V475 VanDerWaalsContact O-CG1 3.31Å; Y307-V475 WeakPolarHBondContact O-CG1 3.49Å; F310-V475 HydrophobicContact CB-CB 4.43Å; F310-V475 HydrophobicContact CB-CG1 4.11Å; F310-V475 HydrophobicContact CB-CG2 4.48Å; A311-V475 HydrophobicContact CB-CG1 3.65Å; V400-V475 HydrophobicContact CG1-CB 4.44Å; V400-V475 HydrophobicContact CG1-CG2 3.74Å; I401-V475 PolarHBondContact O-N 2.86Å; S402-V475 CarbonylContact C-O 3.59Å; S402-V475 WeakPolarHBondContact CA-O 2.98Å; I403-V475 PolarHBondContact N-O 3.23Å; V473-V475 HydrophobicContact CG1-CG2 3.91Å; V475-F501 WeakPolarHBondContact CA-O 3.44Å; V475-Y503 HydrophobicContact CG1-CD2 4.43Å; V475-Y503 HydrophobicContact CG1-CE2 4.02Å |
| 476 | G | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 162.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A481 F501 Y503 | G476-A481 VanDerWaalsContact C-CA 3.49Å; G476-A481 VanDerWaalsContact O-CB 3.27Å; G476-A481 WeakPolarHBondContact O-CB 3.47Å; G476-F501 PolarHBondContact N-O 3.02Å; G476-Y503 WeakPolarHBondContact O-CD2 3.42Å; G476-Y503 PolarHBondContact O-N 3.31Å |
| 477 | H | 96.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.4 | 173.5 | 172.5 | -91.7 | 0 | 0 | 0 | 110.6 | A311 Y315 G405 L479 G480 A481 Y503 H669 | A311-H477 HydrophobicContact CB-CB 4.06Å; Y315-H477 HydrophobicContact CE2-CB 4.07Å; Y315-H477 AromaticContact CE2-ND1 3.64Å; Y315-H477 AromaticContact CZ-ND1 3.65Å; Y315-H477 PolarHBondContact OH-ND1 3.13Å; G405-H477 WeakPolarHBondContact CA-O 3.46Å; H477-L479 PolarHBondContact O-N 2.82Å; H477-G480 WeakPolarHBondContact O-CA 3.47Å; H477-G480 PolarHBondContact O-N 3.47Å; H477-A481 PolarHBondContact O-N 3.11Å; H477-Y503 CarbonylContact C-O 3.3Å; H477-Y503 VanDerWaalsContact CA-O 3.23Å; H477-Y503 WeakPolarHBondContact CA-O 3.36Å; H477-H669 AromaticContact CE1-CE1 3.97Å; H477-H669 AromaticContact CE1-NE2 3.82Å; H477-H669 PolarHBondContact CE1-O 3.06Å; H477-H669 PolarHBondContact NE2-O 2.83Å |
| 478 | S | 94.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -130.5 | 178.4 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | G480 A481 G482 Y503 S504 P506 H669 | S478-G480 PolarHBondContact O-N 2.98Å; S478-A481 WeakPolarHBondContact O-CA 3.43Å; S478-A481 WeakPolarHBondContact O-CB 3.26Å; S478-A481 PolarHBondContact O-N 3.02Å; S478-G482 PolarHBondContact O-N 2.93Å; S478-Y503 PolarHBondContact N-O 3.49Å; S478-S504 WeakPolarHBondContact CA-O 3.14Å; S478-P506 VanDerWaalsContact O-CD 3.29Å; S478-P506 WeakPolarHBondContact O-CD 3.29Å; S478-H669 VanDerWaalsContact CB-CE1 3.46Å; S478-H669 WeakPolarHBondContact CB-CE1 3.09Å; S478-H669 WeakPolarHBondContact CB-NE2 3.38Å; S478-H669 PolarHBondContact OG-CE1 3.39Å; S478-H669 VanDerWaalsContact OG-CE1 3.28Å; S478-H669 PolarHBondContact OG-NE2 3.15Å |
| 479 | L | 91.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 9.6 Ų | 9.6 | 12% | 0.12 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -47.9 | -43.4 | 172 | -175.8 | 72.2 | 0 | 0 | 0 | 112.5 | T406 D415 M438 H477 A481 G482 T483 | T406-L479 WeakPolarHBondContact OG1-CD2 3.47Å; D415-L479 HydrophobicContact CB-CD1 3.97Å; D415-L479 VanDerWaalsContact OD2-CD2 3.27Å; D415-L479 WeakPolarHBondContact OD2-CD2 3.32Å; M438-L479 HydrophobicContact CE-CD1 3.41Å; M438-L479 VanDerWaalsContact CE-CD1 3.41Å; M438-L479 HydrophobicContact CG-CD1 3.44Å; M438-L479 VanDerWaalsContact CG-CD1 3.44Å; M438-L479 HydrophobicContact CG-CG 4.35Å; M438-L479 HydrophobicContact SD-CD1 3.78Å; H477-L479 PolarHBondContact O-N 2.82Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 3.46Å; L479-G482 PolarHBondContact O-N 2.93Å; L479-G482 VanDerWaalsContact O-N 3.07Å; L479-T483 PolarHBondContact O-N 3.48Å; L479-T483 PolarHBondContact O-OG1 3.33Å |
| 480 | G | 95.2 | Very high | 97 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.2 | -29.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G405 H477 S478 G482 A484 | G405-G480 VanDerWaalsContact CA-N 3.33Å; H477-G480 WeakPolarHBondContact O-CA 3.47Å; H477-G480 PolarHBondContact O-N 3.47Å; S478-G480 PolarHBondContact O-N 2.98Å; G480-G482 VanDerWaalsContact C-N 3.34Å; G480-A484 WeakPolarHBondContact O-CB 3.39Å; G480-A484 PolarHBondContact O-N 3.41Å |
| 481 | A | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | G476 H477 S478 L479 A485 S502 Y503 P505 | G476-A481 VanDerWaalsContact C-CA 3.49Å; G476-A481 VanDerWaalsContact O-CB 3.27Å; G476-A481 WeakPolarHBondContact O-CB 3.47Å; H477-A481 PolarHBondContact O-N 3.11Å; S478-A481 WeakPolarHBondContact O-CA 3.43Å; S478-A481 WeakPolarHBondContact O-CB 3.26Å; S478-A481 PolarHBondContact O-N 3.02Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 3.46Å; A481-A485 WeakPolarHBondContact O-CB 3.16Å; A481-A485 PolarHBondContact O-N 3.34Å; A481-S502 PolarHBondContact O-OG 3.48Å; A481-S502 VanDerWaalsContact O-OG 3.05Å; A481-Y503 WeakPolarHBondContact CB-O 3.48Å; A481-P505 HydrophobicContact CB-CB 3.98Å |
| 482 | G | 95.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -70.4 | -45.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S478 L479 G480 A484 A485 I486 | S478-G482 PolarHBondContact O-N 2.93Å; L479-G482 PolarHBondContact O-N 2.93Å; L479-G482 VanDerWaalsContact O-N 3.07Å; G480-G482 VanDerWaalsContact C-N 3.34Å; G482-A484 VanDerWaalsContact C-N 3.34Å; G482-A484 PolarHBondContact O-N 3.4Å; G482-A485 PolarHBondContact O-N 2.82Å; G482-I486 PolarHBondContact O-N 3.4Å |
| 483 | T | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 172.3 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | T386 I403 A441 A442 I445 L479 A485 I486 L487 | T386-T483 HydrophobicContact CG2-CG2 4.44Å; I403-T483 HydrophobicContact CD1-CG2 4Å; I403-T483 HydrophobicContact CG2-CG2 4.12Å; A441-T483 HydrophobicContact CB-CG2 3.74Å; A442-T483 HydrophobicContact CB-CG2 4.15Å; I445-T483 HydrophobicContact CD1-CG2 4.03Å; L479-T483 PolarHBondContact O-N 3.48Å; L479-T483 PolarHBondContact O-OG1 3.33Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.9Å; T483-I486 PolarHBondContact O-N 3.2Å; T483-L487 VanDerWaalsContact O-CB 3.31Å; T483-L487 WeakPolarHBondContact O-CB 3.15Å; T483-L487 PolarHBondContact O-N 3.28Å |
| 484 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I403 L474 G480 G482 A488 | I403-A484 HydrophobicContact CD1-CB 3.86Å; I403-A484 HydrophobicContact CG1-CB 4.41Å; L474-A484 HydrophobicContact CB-CB 4.35Å; L474-A484 WeakPolarHBondContact CD2-O 3.4Å; G480-A484 WeakPolarHBondContact O-CB 3.39Å; G480-A484 PolarHBondContact O-N 3.41Å; G482-A484 VanDerWaalsContact C-N 3.34Å; G482-A484 PolarHBondContact O-N 3.4Å; A484-A488 WeakPolarHBondContact O-CB 3.35Å; A484-A488 PolarHBondContact O-N 3.48Å |
| 485 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.7 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A481 G482 T483 A488 I489 L509 I522 P621 | A481-A485 WeakPolarHBondContact O-CB 3.16Å; A481-A485 PolarHBondContact O-N 3.34Å; G482-A485 PolarHBondContact O-N 2.82Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.9Å; A485-A488 WeakPolarHBondContact O-CB 3.4Å; A485-A488 PolarHBondContact O-N 2.89Å; A485-I489 WeakPolarHBondContact O-CG1 3.44Å; A485-I489 PolarHBondContact O-N 3.45Å; A485-I489 VanDerWaalsContact O-N 3.12Å; A485-L509 HydrophobicContact CB-CD2 3.98Å; A485-I522 HydrophobicContact CB-CD1 3.77Å; A485-P621 HydrophobicContact CB-CB 3.79Å; A485-P621 HydrophobicContact CB-CG 3.64Å |
| 486 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 176 | -66.7 | 167.7 | 0 | 0 | 0 | 110.2 | L423 M438 V439 A442 G482 T483 A488 I489 L490 L509 L510 | L423-I486 HydrophobicContact CD2-CG1 4.46Å; L423-I486 HydrophobicContact CD2-CG2 3.86Å; M438-I486 HydrophobicContact CB-CD1 3.72Å; V439-I486 HydrophobicContact CG2-CD1 3.87Å; V439-I486 HydrophobicContact CG2-CG2 4.46Å; A442-I486 HydrophobicContact CB-CB 4.01Å; A442-I486 HydrophobicContact CB-CG2 3.66Å; G482-I486 PolarHBondContact O-N 3.4Å; T483-I486 PolarHBondContact O-N 3.2Å; I486-A488 VanDerWaalsContact C-N 3.25Å; I486-A488 PolarHBondContact O-N 3.36Å; I486-I489 WeakPolarHBondContact O-CB 3.46Å; I486-I489 PolarHBondContact O-N 3.35Å; I486-L490 HydrophobicContact CG2-CD1 4.35Å; I486-L490 HydrophobicContact CG2-CG 4.43Å; I486-L490 WeakPolarHBondContact O-CG 3.47Å; I486-L490 PolarHBondContact O-N 3.15Å; I486-L509 HydrophobicContact CD1-CD1 3.83Å; I486-L509 HydrophobicContact CG1-CD1 4.34Å; I486-L510 HydrophobicContact CG1-CD2 3.97Å |
| 487 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -39 | 176.7 | -177.2 | 61.8 | 0 | 0 | 0 | 111.6 | I403 A442 I445 R446 L449 L474 T483 I489 L490 L491 | I403-L487 HydrophobicContact CD1-CD2 3.93Å; A442-L487 HydrophobicContact CB-CB 4.09Å; I445-L487 HydrophobicContact CB-CD2 4.18Å; I445-L487 HydrophobicContact CG2-CD2 3.56Å; R446-L487 HydrophobicContact CB-CD1 3.71Å; L449-L487 HydrophobicContact CD1-CD2 4.16Å; L474-L487 HydrophobicContact CD2-CB 3.73Å; L474-L487 HydrophobicContact CD2-CD2 3.63Å; L474-L487 HydrophobicContact CD2-CG 3.57Å; T483-L487 VanDerWaalsContact O-CB 3.31Å; T483-L487 WeakPolarHBondContact O-CB 3.15Å; T483-L487 PolarHBondContact O-N 3.28Å; L487-I489 VanDerWaalsContact C-N 3.33Å; L487-I489 PolarHBondContact O-N 3.41Å; L487-L490 PolarHBondContact O-N 3.26Å; L487-L490 VanDerWaalsContact O-N 3.17Å; L487-L491 HydrophobicContact CD1-CD1 3.91Å; L487-L491 HydrophobicContact CD1-CG 3.98Å; L487-L491 HydrophobicContact CD2-CD1 4.41Å; L487-L491 HydrophobicContact CG-CD1 3.86Å; L487-L491 HydrophobicContact CG-CG 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.47Å; L487-L491 WeakPolarHBondContact O-CG 3.44Å; L487-L491 PolarHBondContact O-N 2.98Å |
| 488 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L474 A484 A485 I486 K492 L498 C500 F521 I522 | L474-A488 HydrophobicContact CD1-CB 4.38Å; L474-A488 HydrophobicContact CD2-CB 4.16Å; A484-A488 WeakPolarHBondContact O-CB 3.35Å; A484-A488 PolarHBondContact O-N 3.48Å; A485-A488 WeakPolarHBondContact O-CB 3.4Å; A485-A488 PolarHBondContact O-N 2.89Å; I486-A488 VanDerWaalsContact C-N 3.25Å; I486-A488 PolarHBondContact O-N 3.36Å; A488-K492 WeakPolarHBondContact O-CB 3.28Å; A488-K492 PolarHBondContact O-N 2.89Å; A488-L498 HydrophobicContact CB-CD2 3.72Å; A488-C500 HydrophobicContact CB-CB 3.71Å; A488-F521 HydrophobicContact CB-CD2 4.39Å; A488-F521 HydrophobicContact CB-CE2 3.98Å; A488-I522 HydrophobicContact CB-CD1 4.15Å |
| 489 | I | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 174.4 | -67.7 | 164.5 | 0 | 0 | 0 | 110.8 | L423 L425 W432 A485 I486 L487 L510 Y517 F521 I522 | L423-I489 HydrophobicContact CD1-CD1 4.26Å; L423-I489 HydrophobicContact CD1-CG2 4.05Å; L425-I489 HydrophobicContact CD2-CG2 4.2Å; W432-I489 HydrophobicContact CE3-CG2 4.27Å; W432-I489 HydrophobicContact CZ3-CG2 3.96Å; A485-I489 WeakPolarHBondContact O-CG1 3.44Å; A485-I489 PolarHBondContact O-N 3.45Å; A485-I489 VanDerWaalsContact O-N 3.12Å; I486-I489 WeakPolarHBondContact O-CB 3.46Å; I486-I489 PolarHBondContact O-N 3.35Å; L487-I489 VanDerWaalsContact C-N 3.33Å; L487-I489 PolarHBondContact O-N 3.41Å; I489-L510 HydrophobicContact CD1-CD1 3.62Å; I489-L510 HydrophobicContact CD1-CD2 4.13Å; I489-Y517 HydrophobicContact CG2-CE1 4.32Å; I489-F521 HydrophobicContact CG1-CE2 4.31Å; I489-F521 HydrophobicContact CG1-CZ 3.93Å; I489-I522 HydrophobicContact CG1-CD1 4.44Å |
| 490 | L | 97.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -36.9 | -179.7 | -62.4 | -179.2 | 0 | 0 | 0 | 112.8 | P424 L425 A442 I486 L487 P493 | P424-L490 HydrophobicContact CG-CD1 4.32Å; P424-L490 HydrophobicContact CG-CD2 3.97Å; L425-L490 HydrophobicContact CD2-CD2 3.74Å; L425-L490 HydrophobicContact CG-CD2 4.4Å; A442-L490 HydrophobicContact CB-CD1 4.27Å; I486-L490 HydrophobicContact CG2-CD1 4.35Å; I486-L490 HydrophobicContact CG2-CG 4.43Å; I486-L490 WeakPolarHBondContact O-CG 3.47Å; I486-L490 PolarHBondContact O-N 3.15Å; L487-L490 PolarHBondContact O-N 3.26Å; L487-L490 VanDerWaalsContact O-N 3.17Å; L490-P493 WeakPolarHBondContact O-CD 3.26Å |
| 491 | L | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -88.4 | -12.9 | -178.3 | -65.7 | -179.8 | 0 | 0 | 0 | 113.7 | R446 L449 L472 L487 P493 E494 H495 L498 | R446-L491 HydrophobicContact CG-CD2 4.39Å; L449-L491 HydrophobicContact CD1-CD1 4.41Å; L472-L491 HydrophobicContact CD2-CD1 4.3Å; L487-L491 HydrophobicContact CD1-CD1 3.91Å; L487-L491 HydrophobicContact CD1-CG 3.98Å; L487-L491 HydrophobicContact CD2-CD1 4.41Å; L487-L491 HydrophobicContact CG-CD1 3.86Å; L487-L491 HydrophobicContact CG-CG 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.47Å; L487-L491 WeakPolarHBondContact O-CG 3.44Å; L487-L491 PolarHBondContact O-N 2.98Å; L491-P493 VanDerWaalsContact C-CD 3.42Å; L491-E494 PolarHBondContact O-N 2.93Å; L491-E494 VanDerWaalsContact O-N 3.12Å; L491-H495 PolarHBondContact O-N 3.06Å; L491-L498 HydrophobicContact CB-CD1 3.93Å |
| 492 | K | 95.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 25 Ų | 25 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.9 | -176.9 | -168.4 | 60.9 | 173.6 | 178 | 0 | 114.5 | A488 E494 H495 P496 L498 Y517 F521 | A488-K492 WeakPolarHBondContact O-CB 3.28Å; A488-K492 PolarHBondContact O-N 2.89Å; K492-E494 VanDerWaalsContact C-N 3.3Å; K492-E494 PolarHBondContact O-N 2.99Å; K492-H495 CarbonylContact O-C 3.48Å; K492-H495 PolarHBondContact O-N 3.26Å; K492-P496 WeakPolarHBondContact CE-O 3.4Å; K492-P496 PolarHBondContact NZ-O 2.81Å; K492-L498 HydrophobicContact CD-CB 4.39Å; K492-L498 HydrophobicContact CD-CD2 4.21Å; K492-L498 PolarHBondContact NZ-O 2.99Å; K492-Y517 WeakPolarHBondContact CG-OH 3.38Å; K492-F521 HydrophobicContact CB-CZ 4.34Å; K492-F521 HydrophobicContact CD-CD1 4.01Å; K492-F521 HydrophobicContact CD-CD2 4.19Å; K492-F521 HydrophobicContact CD-CE1 4.25Å; K492-F521 HydrophobicContact CD-CE2 4.41Å; K492-F521 HydrophobicContact CD-CG 4Å; K492-F521 HydrophobicContact CD-CZ 4.45Å; K492-F521 HydrophobicContact CG-CD1 4.26Å; K492-F521 HydrophobicContact CG-CE1 4.03Å; K492-F521 HydrophobicContact CG-CZ 4.19Å |
| 493 | P | 93.6 | Very high | 97 | Very high | 89 Ų | 89 | 25 Ų | 25 | 58% | 0.578 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.8 | 177.3 | -24 | 35.7 | 0 | 0 | 0 | 113.3 | L490 L491 | L490-P493 WeakPolarHBondContact O-CD 3.26Å; L491-P493 VanDerWaalsContact C-CD 3.42Å |
| 494 | E | 92.5 | Very high | 97 | Very high | 103 Ų | 103 | 25 Ų | 25 | 48% | 0.481 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -30.3 | -179.3 | -64.7 | 171.5 | -146.5 | 0 | 0 | 111.7 | L491 K492 | L491-E494 PolarHBondContact O-N 2.93Å; L491-E494 VanDerWaalsContact O-N 3.12Å; K492-E494 VanDerWaalsContact C-N 3.3Å; K492-E494 PolarHBondContact O-N 2.99Å |
| 495 | H | 94.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 25 Ų | 25 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | trans | -126.7 | 83.1 | -178.6 | -59.9 | -72.5 | 0 | 0 | 0 | 111.8 | L472 L491 K492 T497 L498 | L472-H495 HydrophobicContact CD2-CB 4.15Å; L491-H495 PolarHBondContact O-N 3.06Å; K492-H495 CarbonylContact O-C 3.48Å; K492-H495 PolarHBondContact O-N 3.26Å; H495-T497 VanDerWaalsContact C-N 3.29Å; H495-T497 PolarHBondContact O-N 2.89Å; H495-L498 HydrophobicContact CB-CB 4.03Å; H495-L498 HydrophobicContact CB-CD1 4.35Å; H495-L498 WeakPolarHBondContact O-CB 3.47Å; H495-L498 PolarHBondContact O-N 3.36Å; H495-L498 VanDerWaalsContact O-N 3.11Å | ||
| 496 | P | 94.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 25.1 Ų | 25.1 | 62% | 0.617 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -173.5 | -25.5 | 35.7 | 0 | 0 | 0 | 115.2 | K492 L498 | K492-P496 WeakPolarHBondContact CE-O 3.4Å; K492-P496 PolarHBondContact NZ-O 2.81Å; P496-L498 VanDerWaalsContact C-N 3.34Å |
| 497 | T | 95.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 25.1 Ų | 25.1 | 50% | 0.503 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -8.2 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | D471 H495 | D471-T497 WeakPolarHBondContact OD1-CB 3.35Å; D471-T497 PolarHBondContact OD1-OG1 2.85Å; H495-T497 VanDerWaalsContact C-N 3.29Å; H495-T497 PolarHBondContact O-N 2.89Å |
| 498 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -49.6 | 137.2 | -176.4 | 171.3 | 149.7 | 0 | 0 | 0 | 113.3 | L472 L474 A488 L491 K492 H495 P496 F521 | L472-L498 HydrophobicContact CB-CB 4.44Å; L472-L498 HydrophobicContact CB-CD1 4.37Å; L472-L498 HydrophobicContact CD2-CD1 3.68Å; L472-L498 HydrophobicContact CG-CD1 3.97Å; L472-L498 VanDerWaalsContact O-CA 3.27Å; L472-L498 WeakPolarHBondContact O-CA 3.3Å; L474-L498 HydrophobicContact CD1-CD1 3.18Å; L474-L498 HydrophobicContact CD1-CD2 4.12Å; L474-L498 HydrophobicContact CD1-CG 3.66Å; A488-L498 HydrophobicContact CB-CD2 3.72Å; L491-L498 HydrophobicContact CB-CD1 3.93Å; K492-L498 HydrophobicContact CD-CB 4.39Å; K492-L498 HydrophobicContact CD-CD2 4.21Å; K492-L498 PolarHBondContact NZ-O 2.99Å; H495-L498 HydrophobicContact CB-CB 4.03Å; H495-L498 HydrophobicContact CB-CD1 4.35Å; H495-L498 WeakPolarHBondContact O-CB 3.47Å; H495-L498 PolarHBondContact O-N 3.36Å; H495-L498 VanDerWaalsContact O-N 3.11Å; P496-L498 VanDerWaalsContact C-N 3.34Å; L498-F521 HydrophobicContact CD2-CD2 3.83Å; L498-F521 HydrophobicContact CD2-CE2 4.28Å; L498-F521 WeakPolarHBondContact O-CB 3.46Å | ||
| 499 | Q | 98.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 29% | 0.29 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 153.5 | 172.2 | -63.3 | -63.5 | -54 | 0 | 0 | 110.8 | L472 V473 L474 F501 F521 | L472-Q499 PolarHBondContact O-N 3.25Å; L472-Q499 VanDerWaalsContact O-N 3.08Å; V473-Q499 CarbonylContact C-O 3.55Å; V473-Q499 WeakPolarHBondContact CA-O 2.81Å; L474-Q499 PolarHBondContact N-O 2.87Å; Q499-F501 HydrophobicContact CB-CE2 4.3Å; Q499-F521 CarbonylContact C-O 3.47Å; Q499-F521 WeakPolarHBondContact CA-O 3.22Å; Q499-F521 PolarHBondContact OE1-O 3.38Å |
| 500 | C | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | L474 A488 F521 I522 T523 | L474-C500 HydrophobicContact CB-CB 4.19Å; L474-C500 CarbonylContact O-C 3.37Å; L474-C500 VanDerWaalsContact O-CA 3.26Å; L474-C500 WeakPolarHBondContact O-CA 3.4Å; A488-C500 HydrophobicContact CB-CB 3.71Å; C500-F521 PolarHBondContact N-O 2.88Å; C500-I522 HydrophobicContact CB-CB 4.31Å; C500-I522 HydrophobicContact CB-CD1 4.32Å; C500-I522 HydrophobicContact CB-CG1 3.92Å; C500-I522 HydrophobicContact CB-CG2 4.15Å; C500-I522 WeakPolarHBondContact O-CA 3.37Å; C500-T523 PolarHBondContact O-N 3.05Å |
| 501 | F | 98.7 | Very high | 95 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 105.8 | 174.7 | -62.7 | -84.4 | 0 | 0 | 0 | 109.9 | F300 T303 V304 Y307 V473 L474 V475 G476 Q499 Y503 T523 | F300-F501 HydrophobicContact CE2-CE1 4.29Å; T303-F501 HydrophobicContact CG2-CE2 4.38Å; T303-F501 HydrophobicContact CG2-CZ 3.85Å; V304-F501 HydrophobicContact CG2-CD1 4.07Å; V304-F501 HydrophobicContact CG2-CE1 3.83Å; Y307-F501 AromaticContact CD2-CD2 3.36Å; Y307-F501 HydrophobicContact CD2-CD2 3.36Å; Y307-F501 HydrophobicContact CD2-CE1 4.49Å; Y307-F501 AromaticContact CD2-CE2 3.2Å; Y307-F501 HydrophobicContact CD2-CE2 3.2Å; Y307-F501 HydrophobicContact CD2-CG 4.11Å; Y307-F501 AromaticContact CD2-CZ 3.82Å; Y307-F501 HydrophobicContact CD2-CZ 3.82Å; Y307-F501 HydrophobicContact CE2-CD2 4.02Å; Y307-F501 AromaticContact CE2-CE2 3.46Å; Y307-F501 HydrophobicContact CE2-CE2 3.46Å; Y307-F501 VanDerWaalsContact CE2-CE2 3.46Å; Y307-F501 HydrophobicContact CE2-CZ 4.11Å; Y307-F501 AromaticContact CG-CD2 3.85Å; Y307-F501 HydrophobicContact CG-CD2 3.85Å; Y307-F501 HydrophobicContact CG-CE2 4.14Å; Y307-F501 HydrophobicContact CG-CG 4.46Å; V473-F501 HydrophobicContact CG1-CD2 3.73Å; V473-F501 HydrophobicContact CG1-CE2 3.9Å; L474-F501 PolarHBondContact O-N 3.42Å; V475-F501 WeakPolarHBondContact CA-O 3.44Å; G476-F501 PolarHBondContact N-O 3.02Å; Q499-F501 HydrophobicContact CB-CE2 4.3Å; F501-Y503 HydrophobicContact CB-CE2 3.72Å; F501-T523 WeakPolarHBondContact CA-O 3.43Å |
| 502 | S | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 105 | -175.1 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | A481 P505 T523 S524 V525 | A481-S502 PolarHBondContact O-OG 3.48Å; A481-S502 VanDerWaalsContact O-OG 3.05Å; S502-P505 WeakPolarHBondContact O-CD 3.41Å; S502-T523 PolarHBondContact N-O 3.18Å; S502-S524 CarbonylContact O-C 2.89Å; S502-S524 WeakPolarHBondContact O-CA 3.43Å; S502-V525 PolarHBondContact O-N 3.37Å |
| 503 | Y | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.7 | -179.5 | -57.8 | -88.3 | 0 | 0 | 0 | 111.1 | V304 Y307 M308 A311 V475 G476 H477 S478 A481 F501 V525 V674 L678 | V304-Y503 HydrophobicContact CG1-CE1 4Å; V304-Y503 WeakPolarHBondContact O-CE1 3.49Å; V304-Y503 PolarHBondContact O-OH 3.45Å; Y307-Y503 WeakPolarHBondContact CB-OH 3.13Å; M308-Y503 HydrophobicContact CB-CD1 4.29Å; M308-Y503 HydrophobicContact CB-CE1 3.72Å; M308-Y503 HydrophobicContact CB-CE2 4.3Å; M308-Y503 HydrophobicContact CG-CD1 4.27Å; M308-Y503 HydrophobicContact CG-CE1 4.19Å; M308-Y503 PolarHBondContact N-OH 3.13Å; M308-Y503 HydrophobicContact SD-CD1 3.25Å; M308-Y503 WeakPolarHBondContact SD-CD1 3.36Å; M308-Y503 HydrophobicContact SD-CD2 3.71Å; M308-Y503 HydrophobicContact SD-CE1 3.71Å; M308-Y503 HydrophobicContact SD-CE2 4.13Å; M308-Y503 HydrophobicContact SD-CG 3.25Å; A311-Y503 HydrophobicContact CB-CD2 3.78Å; A311-Y503 HydrophobicContact CB-CE2 4.2Å; V475-Y503 HydrophobicContact CG1-CD2 4.43Å; V475-Y503 HydrophobicContact CG1-CE2 4.02Å; G476-Y503 WeakPolarHBondContact O-CD2 3.42Å; G476-Y503 PolarHBondContact O-N 3.31Å; H477-Y503 CarbonylContact C-O 3.3Å; H477-Y503 VanDerWaalsContact CA-O 3.23Å; H477-Y503 WeakPolarHBondContact CA-O 3.36Å; S478-Y503 PolarHBondContact N-O 3.49Å; A481-Y503 WeakPolarHBondContact CB-O 3.48Å; F501-Y503 HydrophobicContact CB-CE2 3.72Å; Y503-V525 HydrophobicContact CD1-CB 3.72Å; Y503-V525 HydrophobicContact CD1-CG1 4.27Å; Y503-V525 HydrophobicContact CD1-CG2 3.84Å; Y503-V525 HydrophobicContact CE1-CB 4.21Å; Y503-V525 HydrophobicContact CE1-CG2 3.81Å; Y503-V674 HydrophobicContact CD1-CG1 4.23Å; Y503-L678 HydrophobicContact CE1-CD1 4.17Å |
| 504 | S | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 48.6 | 49.9 | -176.1 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | S478 V525 D530 | S478-S504 WeakPolarHBondContact CA-O 3.14Å; S504-V525 WeakPolarHBondContact CA-O 3.28Å; S504-V525 PolarHBondContact N-O 2.83Å; S504-D530 WeakPolarHBondContact CB-OD2 3.16Å; S504-D530 PolarHBondContact OG-OD2 3.07Å |
| 505 | P | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -66 | 147.6 | -179.2 | 30.4 | -34.7 | 0 | 0 | 0 | 110.5 | A481 S502 P533 P620 P621 | A481-P505 HydrophobicContact CB-CB 3.98Å; S502-P505 WeakPolarHBondContact O-CD 3.41Å; P505-P533 VanDerWaalsContact O-CA 3.28Å; P505-P533 WeakPolarHBondContact O-CA 3.18Å; P505-P533 WeakPolarHBondContact O-CB 3.35Å; P505-P533 WeakPolarHBondContact O-CG 3.31Å; P505-P620 HydrophobicContact CG-CB 4.33Å; P505-P621 HydrophobicContact CB-CG 4.01Å; P505-P621 HydrophobicContact CG-CG 4.19Å | ||
| 506 | P | 92.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | trans | -60.5 | 144.8 | 177.3 | 8.2 | -14.7 | 0 | 0 | 0 | 113.1 | L416 M438 S478 L509 V532 | L416-P506 HydrophobicContact CD1-CB 4.32Å; L416-P506 HydrophobicContact CD2-CB 3.21Å; L416-P506 HydrophobicContact CD2-CG 4.16Å; L416-P506 HydrophobicContact CG-CB 4.23Å; M438-P506 HydrophobicContact CE-CB 3.94Å; M438-P506 HydrophobicContact CE-CG 3.21Å; M438-P506 HydrophobicContact SD-CG 3.66Å; S478-P506 VanDerWaalsContact O-CD 3.29Å; S478-P506 WeakPolarHBondContact O-CD 3.29Å; P506-L509 WeakPolarHBondContact O-CB 3.38Å; P506-V532 WeakPolarHBondContact CA-O 3.5Å; P506-V532 HydrophobicContact CB-CG1 4.13Å | ||
| 507 | G | 88.6 | Confident | 95.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -42.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L509 V532 P533 L618 Y619 | G507-L509 PolarHBondContact O-N 3.41Å; G507-V532 PolarHBondContact N-O 2.86Å; G507-P533 WeakPolarHBondContact CA-O 3.16Å; G507-P533 PolarHBondContact N-O 3.45Å; G507-L618 CarbonylContact O-C 3.56Å; G507-L618 VanDerWaalsContact O-C 3.23Å; G507-L618 VanDerWaalsContact O-O 3.06Å; G507-Y619 CarbonylContact O-C 3.54Å; G507-Y619 WeakPolarHBondContact O-CA 3.18Å; G507-Y619 PolarHBondContact O-N 3.47Å; G507-Y619 VanDerWaalsContact O-N 3.07Å |
| 508 | G | 87.3 | Confident | 95.4 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 6% | 0.062 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I535 L618 | G508-I535 PolarHBondContact N-O 3.21Å; G508-L618 VanDerWaalsContact C-CB 3.42Å; G508-L618 WeakPolarHBondContact O-CD1 2.75Å |
| 509 | L | 92.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -93.5 | -61.5 | -171.4 | -174.5 | 71.4 | 0 | 0 | 0 | 114.9 | G434 H435 M438 A485 I486 P506 G507 P621 | G434-L509 CarbonylContact C-O 3.6Å; G434-L509 VanDerWaalsContact CA-O 3.24Å; G434-L509 WeakPolarHBondContact CA-O 3.37Å; H435-L509 HydrophobicContact CB-CD1 4.08Å; H435-L509 PolarHBondContact N-O 2.89Å; M438-L509 HydrophobicContact CB-CD1 4.28Å; M438-L509 HydrophobicContact CE-CD1 4.35Å; M438-L509 HydrophobicContact CG-CD1 4.46Å; M438-L509 HydrophobicContact SD-CD1 3.29Å; M438-L509 WeakPolarHBondContact SD-CD1 3.34Å; A485-L509 HydrophobicContact CB-CD2 3.98Å; I486-L509 HydrophobicContact CD1-CD1 3.83Å; I486-L509 HydrophobicContact CG1-CD1 4.34Å; P506-L509 WeakPolarHBondContact O-CB 3.38Å; G507-L509 PolarHBondContact O-N 3.41Å; L509-P621 HydrophobicContact CD2-CB 3.94Å; L509-P621 HydrophobicContact CD2-CG 3.52Å |
| 510 | L | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 149.2 | -168.8 | -68.5 | -176.1 | 0 | 0 | 0 | 112.6 | L423 L433 I486 I489 A514 V515 L618 Y619 P621 | L423-L510 HydrophobicContact CD1-CD2 4.43Å; L433-L510 CarbonylContact O-C 3.55Å; L433-L510 WeakPolarHBondContact O-CA 3.15Å; I486-L510 HydrophobicContact CG1-CD2 3.97Å; I489-L510 HydrophobicContact CD1-CD1 3.62Å; I489-L510 HydrophobicContact CD1-CD2 4.13Å; L510-A514 HydrophobicContact CB-CB 4.21Å; L510-A514 HydrophobicContact CD1-CB 4.3Å; L510-A514 HydrophobicContact CD2-CB 4.38Å; L510-V515 HydrophobicContact CB-CG2 3.64Å; L510-V515 HydrophobicContact CD1-CG2 4.38Å; L510-L618 VanDerWaalsContact C-CD2 3.48Å; L510-L618 CarbonylContact O-C 3.59Å; L510-L618 VanDerWaalsContact O-CA 3.31Å; L510-L618 WeakPolarHBondContact O-CA 3.08Å; L510-Y619 PolarHBondContact N-O 3.36Å; L510-Y619 PolarHBondContact O-N 2.94Å; L510-P621 HydrophobicContact CD1-CB 3.71Å; L510-P621 HydrophobicContact CG-CB 4.45Å |
| 511 | S | 94.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -67 | 154 | 166 | 66.4 | 0 | 0 | 0 | 0 | 111 | D431 W432 L433 A514 V515 | D431-S511 WeakPolarHBondContact O-CB 3.42Å; D431-S511 PolarHBondContact O-OG 2.92Å; W432-S511 WeakPolarHBondContact CA-OG 3.36Å; L433-S511 PolarHBondContact N-OG 3.37Å; L433-S511 PolarHBondContact O-N 3.42Å; S511-A514 WeakPolarHBondContact O-CB 3.21Å; S511-A514 PolarHBondContact O-N 2.79Å; S511-V515 PolarHBondContact O-N 3.31Å | ||
| 512 | M | 93.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 20.2 Ų | 20.2 | 28% | 0.281 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -54.5 | -43 | -176.7 | -165.8 | 63.8 | 76.8 | 0 | 0 | 113.9 | A514 V515 E516 Y619 T654 | M512-A514 VanDerWaalsContact C-N 3.31Å; M512-A514 PolarHBondContact O-N 3.01Å; M512-V515 WeakPolarHBondContact O-CB 3.39Å; M512-V515 PolarHBondContact O-N 2.83Å; M512-V515 VanDerWaalsContact O-N 3.16Å; M512-E516 PolarHBondContact O-N 2.77Å; M512-Y619 HydrophobicContact CB-CD2 4.42Å; M512-Y619 HydrophobicContact CB-CE2 4.37Å; M512-Y619 HydrophobicContact CE-CD1 4.07Å; M512-Y619 HydrophobicContact CE-CD2 3.65Å; M512-Y619 HydrophobicContact CE-CE1 3.91Å; M512-Y619 HydrophobicContact CE-CE2 3.49Å; M512-Y619 VanDerWaalsContact CE-CE2 3.49Å; M512-Y619 HydrophobicContact CE-CG 3.93Å; M512-Y619 HydrophobicContact SD-CD2 4.36Å; M512-T654 HydrophobicContact CE-CG2 3.9Å |
| 513 | P | 95.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 20.2 Ų | 20.2 | 33% | 0.325 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59 | -39.2 | 175.7 | -25.7 | 36.4 | 0 | 0 | 0 | 113.7 | Y517 | P513-Y517 PolarHBondContact O-N 2.79Å |
| 514 | A | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.3 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L423 W432 L510 S511 M512 Y517 S518 | L423-A514 HydrophobicContact CD1-CB 4.49Å; W432-A514 HydrophobicContact CB-CB 4.43Å; W432-A514 HydrophobicContact CD2-CB 4.04Å; W432-A514 HydrophobicContact CE3-CB 4.13Å; W432-A514 HydrophobicContact CG-CB 4.19Å; L510-A514 HydrophobicContact CB-CB 4.21Å; L510-A514 HydrophobicContact CD1-CB 4.3Å; L510-A514 HydrophobicContact CD2-CB 4.38Å; S511-A514 WeakPolarHBondContact O-CB 3.21Å; S511-A514 PolarHBondContact O-N 2.79Å; M512-A514 VanDerWaalsContact C-N 3.31Å; M512-A514 PolarHBondContact O-N 3.01Å; A514-Y517 PolarHBondContact O-N 2.85Å; A514-S518 WeakPolarHBondContact O-CB 3.18Å; A514-S518 PolarHBondContact O-N 2.99Å; A514-S518 PolarHBondContact O-OG 3.36Å |
| 515 | V | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -50.8 | 172.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | L510 S511 M512 Y517 S518 K519 S653 | L510-V515 HydrophobicContact CB-CG2 3.64Å; L510-V515 HydrophobicContact CD1-CG2 4.38Å; S511-V515 PolarHBondContact O-N 3.31Å; M512-V515 WeakPolarHBondContact O-CB 3.39Å; M512-V515 PolarHBondContact O-N 2.83Å; M512-V515 VanDerWaalsContact O-N 3.16Å; V515-Y517 VanDerWaalsContact C-N 3.31Å; V515-Y517 PolarHBondContact O-N 2.74Å; V515-S518 WeakPolarHBondContact CA-OG 3.36Å; V515-S518 PolarHBondContact O-N 2.98Å; V515-S518 PolarHBondContact O-OG 2.8Å; V515-K519 PolarHBondContact O-N 3.25Å; V515-K519 VanDerWaalsContact O-N 3.15Å; V515-S653 WeakPolarHBondContact CG1-OG 3.49Å |
| 516 | E | 96.8 | Very high | 95.5 | Very high | 97 Ų | 97 | 20.2 Ų | 20.2 | 45% | 0.453 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.8 | -42.1 | -179 | -69 | -54.7 | 147.2 | 0 | 0 | 112.3 | M512 S518 K519 | M512-E516 PolarHBondContact O-N 2.77Å; E516-S518 VanDerWaalsContact C-N 3.34Å; E516-S518 PolarHBondContact O-N 2.77Å; E516-K519 PolarHBondContact O-N 2.8Å; E516-K519 IonicContact OE1-NZ 3.11Å; E516-K519 PolarHBondContact OE1-NZ 2.86Å; E516-K519 WeakPolarHBondContact OE2-CD 3.26Å; E516-K519 WeakPolarHBondContact OE2-CE 3.42Å; E516-K519 IonicContact OE2-NZ 3.05Å; E516-K519 PolarHBondContact OE2-NZ 2.88Å |
| 517 | Y | 96.4 | Very high | 95.7 | Very high | 80 Ų | 80 | 20.3 Ų | 20.3 | 31% | 0.314 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 173.7 | 175.8 | -109.4 | 0 | 0 | 0 | 112.4 | W432 I489 K492 P513 A514 V515 K519 S520 F521 | W432-Y517 AromaticContact CH2-CD1 3.29Å; W432-Y517 HydrophobicContact CH2-CD1 3.29Å; W432-Y517 AromaticContact CH2-CD2 3.69Å; W432-Y517 HydrophobicContact CH2-CD2 3.69Å; W432-Y517 AromaticContact CH2-CE1 3.89Å; W432-Y517 HydrophobicContact CH2-CE1 3.89Å; W432-Y517 HydrophobicContact CH2-CE2 4.24Å; W432-Y517 AromaticContact CH2-CG 3.17Å; W432-Y517 HydrophobicContact CH2-CG 3.17Å; W432-Y517 HydrophobicContact CZ2-CD1 4.39Å; W432-Y517 HydrophobicContact CZ2-CD2 4.39Å; W432-Y517 AromaticContact CZ2-CG 3.94Å; W432-Y517 HydrophobicContact CZ2-CG 3.94Å; W432-Y517 AromaticContact CZ3-CD1 3.49Å; W432-Y517 HydrophobicContact CZ3-CD1 3.49Å; W432-Y517 VanDerWaalsContact CZ3-CD1 3.49Å; W432-Y517 AromaticContact CZ3-CE1 3.93Å; W432-Y517 HydrophobicContact CZ3-CE1 3.93Å; W432-Y517 AromaticContact CZ3-CG 3.88Å; W432-Y517 HydrophobicContact CZ3-CG 3.88Å; I489-Y517 HydrophobicContact CG2-CE1 4.32Å; K492-Y517 WeakPolarHBondContact CG-OH 3.38Å; P513-Y517 PolarHBondContact O-N 2.79Å; A514-Y517 PolarHBondContact O-N 2.85Å; V515-Y517 VanDerWaalsContact C-N 3.31Å; V515-Y517 PolarHBondContact O-N 2.74Å; Y517-K519 VanDerWaalsContact C-N 3.29Å; Y517-K519 PolarHBondContact O-N 3.07Å; Y517-S520 PolarHBondContact O-OG 3.27Å; Y517-S520 VanDerWaalsContact O-OG 3.13Å; Y517-F521 AromaticContact CD1-CE1 3.77Å; Y517-F521 HydrophobicContact CD1-CE1 3.77Å; Y517-F521 AromaticContact CD1-CZ 3.93Å; Y517-F521 HydrophobicContact CD1-CZ 3.93Å; Y517-F521 AromaticContact CE1-CE1 3.55Å; Y517-F521 HydrophobicContact CE1-CE1 3.55Å; Y517-F521 AromaticContact CE1-CZ 3.67Å; Y517-F521 HydrophobicContact CE1-CZ 3.67Å; Y517-F521 HydrophobicContact CG-CE1 4.45Å |
| 518 | S | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.5 | -21.6 | -175.6 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | A514 V515 E516 S520 F521 I522 G622 | A514-S518 WeakPolarHBondContact O-CB 3.18Å; A514-S518 PolarHBondContact O-N 2.99Å; A514-S518 PolarHBondContact O-OG 3.36Å; V515-S518 WeakPolarHBondContact CA-OG 3.36Å; V515-S518 PolarHBondContact O-N 2.98Å; V515-S518 PolarHBondContact O-OG 2.8Å; E516-S518 VanDerWaalsContact C-N 3.34Å; E516-S518 PolarHBondContact O-N 2.77Å; S518-S520 PolarHBondContact O-N 3Å; S518-F521 PolarHBondContact O-N 3.01Å; S518-F521 VanDerWaalsContact O-N 3.1Å; S518-I522 WeakPolarHBondContact O-CB 3.28Å; S518-I522 PolarHBondContact O-N 3.17Å; S518-G622 WeakPolarHBondContact OG-CA 3.42Å; S518-G622 PolarHBondContact OG-N 3.19Å |
| 519 | K | 97.4 | Very high | 96.3 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.1 | -178.9 | -76.8 | -179.4 | -175.3 | 170.8 | 0 | 114 | V515 E516 Y517 R623 | V515-K519 PolarHBondContact O-N 3.25Å; V515-K519 VanDerWaalsContact O-N 3.15Å; E516-K519 PolarHBondContact O-N 2.8Å; E516-K519 IonicContact OE1-NZ 3.11Å; E516-K519 PolarHBondContact OE1-NZ 2.86Å; E516-K519 WeakPolarHBondContact OE2-CD 3.26Å; E516-K519 WeakPolarHBondContact OE2-CE 3.42Å; E516-K519 IonicContact OE2-NZ 3.05Å; E516-K519 PolarHBondContact OE2-NZ 2.88Å; Y517-K519 VanDerWaalsContact C-N 3.29Å; Y517-K519 PolarHBondContact O-N 3.07Å; K519-R623 HydrophobicContact CB-CG 3.88Å; K519-R623 HydrophobicContact CG-CG 4.03Å; K519-R623 WeakPolarHBondContact O-CG 3.4Å; K519-R623 PolarHBondContact O-NE 2.78Å |
| 520 | S | 97.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 21.5 Ų | 21.5 | 57% | 0.566 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -21.8 | -178.3 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | Y517 S518 | Y517-S520 PolarHBondContact O-OG 3.27Å; Y517-S520 VanDerWaalsContact O-OG 3.13Å; S518-S520 PolarHBondContact O-N 3Å |
| 521 | F | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -6.6 | -175.1 | 62.1 | -89.6 | 0 | 0 | 0 | 115.3 | A488 I489 K492 L498 Q499 C500 Y517 S518 | A488-F521 HydrophobicContact CB-CD2 4.39Å; A488-F521 HydrophobicContact CB-CE2 3.98Å; I489-F521 HydrophobicContact CG1-CE2 4.31Å; I489-F521 HydrophobicContact CG1-CZ 3.93Å; K492-F521 HydrophobicContact CB-CZ 4.34Å; K492-F521 HydrophobicContact CD-CD1 4.01Å; K492-F521 HydrophobicContact CD-CD2 4.19Å; K492-F521 HydrophobicContact CD-CE1 4.25Å; K492-F521 HydrophobicContact CD-CE2 4.41Å; K492-F521 HydrophobicContact CD-CG 4Å; K492-F521 HydrophobicContact CD-CZ 4.45Å; K492-F521 HydrophobicContact CG-CD1 4.26Å; K492-F521 HydrophobicContact CG-CE1 4.03Å; K492-F521 HydrophobicContact CG-CZ 4.19Å; L498-F521 HydrophobicContact CD2-CD2 3.83Å; L498-F521 HydrophobicContact CD2-CE2 4.28Å; L498-F521 WeakPolarHBondContact O-CB 3.46Å; Q499-F521 CarbonylContact C-O 3.47Å; Q499-F521 WeakPolarHBondContact CA-O 3.22Å; Q499-F521 PolarHBondContact OE1-O 3.38Å; C500-F521 PolarHBondContact N-O 2.88Å; Y517-F521 AromaticContact CD1-CE1 3.77Å; Y517-F521 HydrophobicContact CD1-CE1 3.77Å; Y517-F521 AromaticContact CD1-CZ 3.93Å; Y517-F521 HydrophobicContact CD1-CZ 3.93Å; Y517-F521 AromaticContact CE1-CE1 3.55Å; Y517-F521 HydrophobicContact CE1-CE1 3.55Å; Y517-F521 AromaticContact CE1-CZ 3.67Å; Y517-F521 HydrophobicContact CE1-CZ 3.67Å; Y517-F521 HydrophobicContact CG-CE1 4.45Å; S518-F521 PolarHBondContact O-N 3.01Å; S518-F521 VanDerWaalsContact O-N 3.1Å |
| 522 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.1 | 175.7 | -49.6 | -162.5 | 0 | 0 | 0 | 109.5 | A485 A488 I489 C500 S518 P621 G622 R623 | A485-I522 HydrophobicContact CB-CD1 3.77Å; A488-I522 HydrophobicContact CB-CD1 4.15Å; I489-I522 HydrophobicContact CG1-CD1 4.44Å; C500-I522 HydrophobicContact CB-CB 4.31Å; C500-I522 HydrophobicContact CB-CD1 4.32Å; C500-I522 HydrophobicContact CB-CG1 3.92Å; C500-I522 HydrophobicContact CB-CG2 4.15Å; C500-I522 WeakPolarHBondContact O-CA 3.37Å; S518-I522 WeakPolarHBondContact O-CB 3.28Å; S518-I522 PolarHBondContact O-N 3.17Å; I522-P621 HydrophobicContact CG2-CB 4.29Å; I522-P621 HydrophobicContact CG2-CG 4.45Å; I522-G622 CarbonylContact O-C 3.23Å; I522-G622 VanDerWaalsContact O-CA 3.23Å; I522-G622 WeakPolarHBondContact O-CA 3.47Å; I522-R623 PolarHBondContact O-N 3.39Å |
| 523 | T | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.2 | 170.6 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | F300 V304 C500 F501 S502 R623 I625 | F300-T523 HydrophobicContact CE1-CG2 4.3Å; F300-T523 HydrophobicContact CZ-CG2 3.88Å; F300-T523 WeakPolarHBondContact CZ-OG1 3.14Å; V304-T523 HydrophobicContact CG2-CG2 4.43Å; C500-T523 PolarHBondContact O-N 3.05Å; F501-T523 WeakPolarHBondContact CA-O 3.43Å; S502-T523 PolarHBondContact N-O 3.18Å; T523-R623 WeakPolarHBondContact CA-O 3.48Å; T523-I625 HydrophobicContact CG2-CD1 3.87Å; T523-I625 HydrophobicContact CG2-CG1 4.23Å |
| 524 | S | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.2 | 177.3 | -69.5 | 0 | 0 | 0 | 0 | 111 | S502 P621 R623 I624 I625 | S502-S524 CarbonylContact O-C 2.89Å; S502-S524 WeakPolarHBondContact O-CA 3.43Å; S524-P621 WeakPolarHBondContact CB-O 3.41Å; S524-P621 PolarHBondContact OG-O 2.84Å; S524-R623 PolarHBondContact N-O 3.19Å; S524-I624 CarbonylContact O-C 3.37Å; S524-I624 WeakPolarHBondContact O-CA 3.46Å; S524-I625 PolarHBondContact O-N 2.68Å |
| 525 | V | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.5 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | V304 S502 Y503 S504 I625 I627 V674 L678 | V304-V525 HydrophobicContact CG1-CG2 3.56Å; S502-V525 PolarHBondContact O-N 3.37Å; Y503-V525 HydrophobicContact CD1-CB 3.72Å; Y503-V525 HydrophobicContact CD1-CG1 4.27Å; Y503-V525 HydrophobicContact CD1-CG2 3.84Å; Y503-V525 HydrophobicContact CE1-CB 4.21Å; Y503-V525 HydrophobicContact CE1-CG2 3.81Å; S504-V525 WeakPolarHBondContact CA-O 3.28Å; S504-V525 PolarHBondContact N-O 2.83Å; V525-I625 CarbonylContact C-O 3.58Å; V525-I625 WeakPolarHBondContact CA-O 3.46Å; V525-I625 HydrophobicContact CG2-CB 4.48Å; V525-I627 HydrophobicContact CG1-CD1 3.87Å; V525-I627 HydrophobicContact CG1-CG1 4.29Å; V525-V674 HydrophobicContact CG1-CG1 4.22Å; V525-L678 HydrophobicContact CG1-CD2 4.1Å |
| 526 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.8 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | D530 P533 I624 I625 H626 I627 F656 | V526-D530 HydrophobicContact CG1-CB 4.18Å; V526-P533 HydrophobicContact CB-CG 4.32Å; V526-P533 HydrophobicContact CG1-CB 4.22Å; V526-P533 HydrophobicContact CG1-CG 3.74Å; V526-P533 HydrophobicContact CG2-CB 3.93Å; V526-P533 HydrophobicContact CG2-CG 3.66Å; V526-I624 HydrophobicContact CB-CG2 4.47Å; V526-I624 HydrophobicContact CG2-CG2 3.93Å; V526-I625 PolarHBondContact N-O 2.93Å; V526-H626 CarbonylContact O-C 3.53Å; V526-H626 WeakPolarHBondContact O-CA 3.26Å; V526-H626 PolarHBondContact O-CD2 3.38Å; V526-I627 PolarHBondContact O-N 3.09Å; V526-F656 HydrophobicContact CB-CE1 3.89Å; V526-F656 HydrophobicContact CB-CZ 4.07Å; V526-F656 HydrophobicContact CG1-CD1 4.35Å; V526-F656 HydrophobicContact CG1-CE1 3.55Å; V526-F656 HydrophobicContact CG1-CZ 4.24Å; V526-F656 HydrophobicContact CG2-CE1 3.95Å; V526-F656 HydrophobicContact CG2-CZ 3.99Å |
| 527 | L | 96.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.2 | 176.7 | 174 | 59.5 | 0 | 0 | 0 | 111.4 | K529 D530 I627 Y646 D668 K673 V674 A677 | L527-K529 PolarHBondContact O-N 3.21Å; L527-D530 VanDerWaalsContact O-CB 3.22Å; L527-D530 WeakPolarHBondContact O-CB 3.49Å; L527-D530 PolarHBondContact O-N 3.35Å; L527-I627 HydrophobicContact CD1-CB 3.96Å; L527-I627 HydrophobicContact CD1-CG2 4Å; L527-Y646 HydrophobicContact CD1-CE1 4.2Å; L527-D668 WeakPolarHBondContact CB-O 3.5Å; L527-D668 HydrophobicContact CD2-CB 4.33Å; L527-D668 WeakPolarHBondContact CD2-O 3.21Å; L527-D668 HydrophobicContact CG-CB 4.09Å; L527-K673 HydrophobicContact CD2-CB 3.91Å; L527-K673 WeakPolarHBondContact CD2-O 3.37Å; L527-V674 HydrophobicContact CB-CG2 4.16Å; L527-V674 HydrophobicContact CD2-CG2 4.38Å; L527-A677 HydrophobicContact CD1-CB 3.43Å; L527-A677 VanDerWaalsContact CD1-CB 3.43Å; L527-A677 HydrophobicContact CD2-CB 3.9Å; L527-A677 HydrophobicContact CG-CB 4.31Å |
| 528 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -123.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H626 I627 | G528-H626 PolarHBondContact O-NE2 3.35Å; G528-I627 PolarHBondContact N-O 3.42Å |
| 529 | K | 93 | Very high | 91.8 | Very high | 32 Ų | 32 | 13.8 Ų | 13.8 | 14% | 0.139 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 33.2 | 178.3 | -66.9 | -176.9 | 178.5 | -172.7 | 0 | 111.7 | S279 L527 V531 L660 M665 D668 | S279-K529 WeakPolarHBondContact O-CE 3.23Å; S279-K529 WeakPolarHBondContact O-CG 3.3Å; L527-K529 PolarHBondContact O-N 3.21Å; K529-V531 PolarHBondContact O-N 2.82Å; K529-L660 HydrophobicContact CB-CB 4.44Å; K529-L660 HydrophobicContact CD-CB 4.35Å; K529-L660 HydrophobicContact CG-CB 4.35Å; K529-L660 HydrophobicContact CG-CD1 4.17Å; K529-M665 VanDerWaalsContact O-CA 3.28Å; K529-M665 WeakPolarHBondContact O-CA 3.44Å; K529-M665 WeakPolarHBondContact O-CB 3.35Å; K529-D668 PolarHBondContact N-OD2 3.23Å |
| 530 | D | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -48.2 | 128.1 | 175.8 | -173.4 | -10.9 | 0 | 0 | 0 | 110.6 | S504 V526 L527 V532 P533 R534 M665 D668 H669 | S504-D530 WeakPolarHBondContact CB-OD2 3.16Å; S504-D530 PolarHBondContact OG-OD2 3.07Å; V526-D530 HydrophobicContact CG1-CB 4.18Å; L527-D530 VanDerWaalsContact O-CB 3.22Å; L527-D530 WeakPolarHBondContact O-CB 3.49Å; L527-D530 PolarHBondContact O-N 3.35Å; D530-V532 PolarHBondContact OD1-N 2.88Å; D530-P533 HydrophobicContact CB-CG 4.35Å; D530-P533 VanDerWaalsContact OD1-CD 3.32Å; D530-P533 WeakPolarHBondContact OD1-CD 3.43Å; D530-R534 WeakPolarHBondContact O-CD 3.39Å; D530-M665 WeakPolarHBondContact CA-O 3.44Å; D530-D668 HydrophobicContact CB-CB 4.35Å; D530-H669 VanDerWaalsContact OD1-CB 3.23Å; D530-H669 WeakPolarHBondContact OD1-CB 3.38Å; D530-H669 IonicContact OD1-CG 2.79Å; D530-H669 IonicContact OD1-ND1 3.53Å; D530-H669 PolarHBondContact OD1-ND1 3.06Å; D530-H669 WeakPolarHBondContact OD2-CA 3.33Å; D530-H669 IonicContact OD2-CG 2.74Å; D530-H669 IonicContact OD2-ND1 3.31Å; D530-H669 PolarHBondContact OD2-ND1 3.3Å | ||
| 531 | V | 89.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 8.7 Ų | 8.7 | 6% | 0.055 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -77.4 | -30.3 | -178 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | M409 K529 R534 I535 V659 M665 L666 | M409-V531 HydrophobicContact CE-CG1 4.04Å; K529-V531 PolarHBondContact O-N 2.82Å; V531-R534 CarbonylContact O-C 3.37Å; V531-R534 WeakPolarHBondContact O-CA 3.23Å; V531-R534 WeakPolarHBondContact O-CB 3.3Å; V531-R534 PolarHBondContact O-N 3.22Å; V531-I535 WeakPolarHBondContact O-CG2 3.41Å; V531-I535 PolarHBondContact O-N 2.91Å; V531-I535 VanDerWaalsContact O-N 3.08Å; V531-V659 HydrophobicContact CG2-CG1 4.12Å; V531-M665 HydrophobicContact CB-CB 4.29Å; V531-M665 HydrophobicContact CB-CE 4Å; V531-M665 HydrophobicContact CB-CG 4.27Å; V531-M665 HydrophobicContact CG2-CE 3.6Å; V531-M665 PolarHBondContact N-O 3.31Å; V531-L666 HydrophobicContact CG1-CD2 3.68Å |
| 532 | V | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -66.8 | -43 | -170.2 | 173.9 | 0 | 0 | 0 | 0 | 113 | M409 I412 P506 G507 D530 R534 I535 H669 | M409-V532 HydrophobicContact CE-CG2 4.34Å; I412-V532 HydrophobicContact CD1-CG2 4.44Å; I412-V532 HydrophobicContact CG2-CG1 4.36Å; I412-V532 HydrophobicContact CG2-CG2 3.97Å; P506-V532 WeakPolarHBondContact CA-O 3.5Å; P506-V532 HydrophobicContact CB-CG1 4.13Å; G507-V532 PolarHBondContact N-O 2.86Å; D530-V532 PolarHBondContact OD1-N 2.88Å; V532-R534 PolarHBondContact O-N 2.93Å; V532-R534 VanDerWaalsContact O-N 3.14Å; V532-I535 WeakPolarHBondContact O-CG2 3.5Å; V532-I535 PolarHBondContact O-N 3.47Å; V532-H669 WeakPolarHBondContact CB-CE1 3.25Å; V532-H669 WeakPolarHBondContact CB-ND1 3.35Å; V532-H669 WeakPolarHBondContact CG2-CE1 3.48Å; V532-H669 WeakPolarHBondContact CG2-ND1 3.4Å; V532-H669 WeakPolarHBondContact CG2-NE2 3.42Å |
| 533 | P | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -65.1 | -13.5 | 170.5 | -23 | 35.6 | 0 | 0 | 0 | 113.8 | P505 G507 V526 D530 F656 | P505-P533 VanDerWaalsContact O-CA 3.28Å; P505-P533 WeakPolarHBondContact O-CA 3.18Å; P505-P533 WeakPolarHBondContact O-CB 3.35Å; P505-P533 WeakPolarHBondContact O-CG 3.31Å; G507-P533 WeakPolarHBondContact CA-O 3.16Å; G507-P533 PolarHBondContact N-O 3.45Å; V526-P533 HydrophobicContact CB-CG 4.32Å; V526-P533 HydrophobicContact CG1-CB 4.22Å; V526-P533 HydrophobicContact CG1-CG 3.74Å; V526-P533 HydrophobicContact CG2-CB 3.93Å; V526-P533 HydrophobicContact CG2-CG 3.66Å; D530-P533 HydrophobicContact CB-CG 4.35Å; D530-P533 VanDerWaalsContact OD1-CD 3.32Å; D530-P533 WeakPolarHBondContact OD1-CD 3.43Å; P533-F656 HydrophobicContact CB-CD1 3.88Å; P533-F656 HydrophobicContact CB-CE1 4.42Å; P533-F656 HydrophobicContact CB-CG 4.33Å; P533-F656 VanDerWaalsContact O-CB 3.25Å; P533-F656 WeakPolarHBondContact O-CB 3.34Å |
| 534 | R | 91.3 | Very high | 87.6 | Confident | 7 Ų | 7 | 11.1 Ų | 11.1 | 3% | 0.026 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -108.7 | 4.3 | -174.8 | -59 | 175.2 | 179.6 | -72.5 | -12.8 | 113.5 | D530 V531 V532 Q539 H626 D655 F656 E658 V659 | D530-R534 WeakPolarHBondContact O-CD 3.39Å; V531-R534 CarbonylContact O-C 3.37Å; V531-R534 WeakPolarHBondContact O-CA 3.23Å; V531-R534 WeakPolarHBondContact O-CB 3.3Å; V531-R534 PolarHBondContact O-N 3.22Å; V532-R534 PolarHBondContact O-N 2.93Å; V532-R534 VanDerWaalsContact O-N 3.14Å; R534-Q539 VanDerWaalsContact O-CB 3.28Å; R534-Q539 WeakPolarHBondContact O-CB 3.29Å; R534-H626 PolarHBondContact NH2-CE1 2.9Å; R534-D655 PolarHBondContact NH1-O 3.19Å; R534-F656 VanDerWaalsContact CA-O 3.29Å; R534-F656 WeakPolarHBondContact CA-O 3.5Å; R534-F656 HydrophobicContact CG-CB 4.1Å; R534-F656 HydrophobicContact CG-CD1 4.04Å; R534-E658 WeakPolarHBondContact CD-O 3.39Å; R534-E658 PolarHBondContact NH1-O 3.32Å; R534-V659 WeakPolarHBondContact O-CG2 3.31Å |
| 535 | I | 82.3 | Confident | 86.8 | Confident | 15 Ų | 15 | 11.4 Ų | 11.4 | 8% | 0.077 | 6% | 0.059 | C | C | . | . | trans | -117.3 | 128.9 | -177.9 | -171.2 | 157.7 | 0 | 0 | 0 | 110.2 | L413 L416 G508 V531 V532 M540 | L413-I535 HydrophobicContact CD1-CD1 3.44Å; L413-I535 VanDerWaalsContact CD1-CD1 3.44Å; L413-I535 HydrophobicContact CD1-CG1 4.07Å; L416-I535 HydrophobicContact CD1-CB 4.34Å; L416-I535 HydrophobicContact CD1-CG1 4.43Å; L416-I535 HydrophobicContact CD1-CG2 3.29Å; G508-I535 PolarHBondContact N-O 3.21Å; V531-I535 WeakPolarHBondContact O-CG2 3.41Å; V531-I535 PolarHBondContact O-N 2.91Å; V531-I535 VanDerWaalsContact O-N 3.08Å; V532-I535 WeakPolarHBondContact O-CG2 3.5Å; V532-I535 PolarHBondContact O-N 3.47Å; I535-M540 HydrophobicContact CB-CE 4.16Å; I535-M540 HydrophobicContact CD1-CE 3.45Å; I535-M540 VanDerWaalsContact CD1-CE 3.45Å; I535-M540 HydrophobicContact CD1-CG 4.21Å; I535-M540 HydrophobicContact CD1-SD 3.39Å; I535-M540 WeakPolarHBondContact CD1-SD 3.37Å; I535-M540 HydrophobicContact CG1-CE 3.43Å; I535-M540 VanDerWaalsContact CG1-CE 3.43Å; I535-M540 HydrophobicContact CG1-CG 3.76Å; I535-M540 HydrophobicContact CG1-SD 3.59Å; I535-M540 VanDerWaalsContact CG1-SD 3.59Å | ||
| 536 | G | 79.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -167.8 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | N538 Q539 M540 | G536-N538 VanDerWaalsContact C-N 3.34Å; G536-N538 PolarHBondContact O-N 3.32Å; G536-Q539 PolarHBondContact O-N 3.41Å; G536-Q539 VanDerWaalsContact O-N 3.16Å; G536-M540 WeakPolarHBondContact O-CB 3.45Å; G536-M540 WeakPolarHBondContact O-CG 3.43Å; G536-M540 PolarHBondContact O-N 3.31Å |
| 537 | L | 77.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 11.8 Ų | 11.8 | 9% | 0.089 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -51.9 | -51.5 | -175.7 | -72.9 | 170.9 | 0 | 0 | 0 | 112.3 | N417 A418 Q539 M540 E541 L612 H615 | N417-L537 HydrophobicContact CB-CD2 4.18Å; N417-L537 WeakPolarHBondContact OD1-CD2 3.45Å; A418-L537 WeakPolarHBondContact O-CD1 3.48Å; L537-Q539 PolarHBondContact O-N 2.96Å; L537-M540 PolarHBondContact O-N 3.34Å; L537-E541 PolarHBondContact O-N 2.99Å; L537-L612 HydrophobicContact CD2-CD2 3.74Å; L537-H615 HydrophobicContact CD1-CB 4.35Å |
| 538 | N | 78.3 | Confident | 84.8 | Confident | 68 Ų | 68 | 14.2 Ų | 14.2 | 36% | 0.364 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -61 | -45.2 | 177.9 | -178.5 | 50.6 | 0 | 0 | 0 | 112.7 | G536 M540 E541 A542 | G536-N538 VanDerWaalsContact C-N 3.34Å; G536-N538 PolarHBondContact O-N 3.32Å; N538-M540 VanDerWaalsContact C-N 3.28Å; N538-M540 PolarHBondContact O-N 3.38Å; N538-E541 PolarHBondContact O-N 3.45Å; N538-A542 PolarHBondContact O-N 2.82Å |
| 539 | Q | 83.1 | Confident | 84.4 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.023 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.9 | -29.5 | 179.2 | -64.4 | 83.6 | 0.5 | 0 | 0 | 112.1 | R534 G536 L537 L543 D657 V659 | R534-Q539 VanDerWaalsContact O-CB 3.28Å; R534-Q539 WeakPolarHBondContact O-CB 3.29Å; G536-Q539 PolarHBondContact O-N 3.41Å; G536-Q539 VanDerWaalsContact O-N 3.16Å; L537-Q539 PolarHBondContact O-N 2.96Å; Q539-L543 WeakPolarHBondContact O-CB 3.5Å; Q539-L543 PolarHBondContact O-N 3.39Å; Q539-D657 VanDerWaalsContact CG-O 3.22Å; Q539-D657 WeakPolarHBondContact CG-O 3.42Å; Q539-D657 PolarHBondContact NE2-OD1 3.39Å; Q539-D657 VanDerWaalsContact NE2-OD1 3.13Å; Q539-V659 HydrophobicContact CB-CG2 4.25Å |
| 540 | M | 78.7 | Confident | 84 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.025 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71.2 | -38.2 | 173.5 | -73.6 | -64.2 | 90.4 | 0 | 0 | 112.9 | L234 F237 L413 I535 G536 L537 N538 L543 R544 V659 | L234-M540 HydrophobicContact CD2-CE 4.46Å; L234-M540 HydrophobicContact CD2-SD 3.7Å; F237-M540 HydrophobicContact CD1-CB 4.31Å; F237-M540 HydrophobicContact CD2-CB 4.37Å; F237-M540 HydrophobicContact CE1-CB 3.85Å; F237-M540 WeakPolarHBondContact CE1-O 3.29Å; F237-M540 HydrophobicContact CE2-CB 3.91Å; F237-M540 HydrophobicContact CZ-CB 3.64Å; L413-M540 HydrophobicContact CD1-SD 4.33Å; I535-M540 HydrophobicContact CB-CE 4.16Å; I535-M540 HydrophobicContact CD1-CE 3.45Å; I535-M540 VanDerWaalsContact CD1-CE 3.45Å; I535-M540 HydrophobicContact CD1-CG 4.21Å; I535-M540 HydrophobicContact CD1-SD 3.39Å; I535-M540 WeakPolarHBondContact CD1-SD 3.37Å; I535-M540 HydrophobicContact CG1-CE 3.43Å; I535-M540 VanDerWaalsContact CG1-CE 3.43Å; I535-M540 HydrophobicContact CG1-CG 3.76Å; I535-M540 HydrophobicContact CG1-SD 3.59Å; I535-M540 VanDerWaalsContact CG1-SD 3.59Å; G536-M540 WeakPolarHBondContact O-CB 3.45Å; G536-M540 WeakPolarHBondContact O-CG 3.43Å; G536-M540 PolarHBondContact O-N 3.31Å; L537-M540 PolarHBondContact O-N 3.34Å; N538-M540 VanDerWaalsContact C-N 3.28Å; N538-M540 PolarHBondContact O-N 3.38Å; M540-L543 HydrophobicContact CE-CB 4.12Å; M540-L543 HydrophobicContact CE-CD2 3.47Å; M540-L543 VanDerWaalsContact CE-CD2 3.47Å; M540-L543 HydrophobicContact CE-CG 4.44Å; M540-L543 PolarHBondContact O-N 3.22Å; M540-L543 HydrophobicContact SD-CD2 4.29Å; M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.21Å; M540-V659 HydrophobicContact CE-CG2 3.57Å |
| 541 | E | 76.6 | Confident | 83.5 | Confident | 20 Ų | 20 | 13.9 Ų | 13.9 | 9% | 0.093 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 171 | -71.9 | 170 | -128.5 | 0 | 0 | 111.7 | F237 L537 N538 L543 R544 A545 L612 | F237-E541 HydrophobicContact CZ-CG 4.22Å; L537-E541 PolarHBondContact O-N 2.99Å; N538-E541 PolarHBondContact O-N 3.45Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-L543 PolarHBondContact O-N 2.86Å; E541-R544 VanDerWaalsContact O-CB 3.29Å; E541-R544 WeakPolarHBondContact O-CB 3.36Å; E541-R544 PolarHBondContact O-N 3.38Å; E541-R544 VanDerWaalsContact O-N 3.17Å; E541-A545 PolarHBondContact O-N 3.19Å; E541-L612 HydrophobicContact CG-CB 4.17Å; E541-L612 WeakPolarHBondContact OE1-CB 3.45Å |
| 542 | A | 82.3 | Confident | 83.2 | Confident | 16 Ų | 16 | 19.4 Ų | 19.4 | 13% | 0.132 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N538 R544 A545 D546 | N538-A542 PolarHBondContact O-N 2.82Å; A542-R544 VanDerWaalsContact C-N 3.3Å; A542-R544 PolarHBondContact O-N 3.11Å; A542-A545 PolarHBondContact O-N 2.97Å; A542-D546 WeakPolarHBondContact O-CB 3.27Å; A542-D546 PolarHBondContact O-N 2.87Å |
| 543 | L | 84.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 176 | 178.9 | 62 | 0 | 0 | 0 | 112 | L234 L255 Q539 M540 E541 D546 L547 V659 I661 | L234-L543 HydrophobicContact CD1-CD2 3.77Å; L234-L543 HydrophobicContact CD2-CD2 3.7Å; L234-L543 HydrophobicContact CG-CD2 4.39Å; L255-L543 HydrophobicContact CD2-CD1 3.58Å; Q539-L543 WeakPolarHBondContact O-CB 3.5Å; Q539-L543 PolarHBondContact O-N 3.39Å; M540-L543 HydrophobicContact CE-CB 4.12Å; M540-L543 HydrophobicContact CE-CD2 3.47Å; M540-L543 VanDerWaalsContact CE-CD2 3.47Å; M540-L543 HydrophobicContact CE-CG 4.44Å; M540-L543 PolarHBondContact O-N 3.22Å; M540-L543 HydrophobicContact SD-CD2 4.29Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-L543 PolarHBondContact O-N 2.86Å; L543-D546 PolarHBondContact O-N 3.08Å; L543-L547 VanDerWaalsContact O-CB 3.24Å; L543-L547 WeakPolarHBondContact O-CB 3.2Å; L543-L547 PolarHBondContact O-N 2.83Å; L543-V659 HydrophobicContact CB-CG2 4.29Å; L543-V659 HydrophobicContact CD1-CB 4.34Å; L543-V659 HydrophobicContact CD2-CB 4.28Å; L543-V659 HydrophobicContact CD2-CG1 4.08Å; L543-V659 HydrophobicContact CD2-CG2 4.23Å; L543-I661 HydrophobicContact CD1-CD1 3.98Å |
| 544 | R | 79.8 | Confident | 82.3 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 12% | 0.117 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.4 | -52.7 | 174 | 178.6 | 166.8 | 170.1 | 174.9 | -4.9 | 111.3 | F237 F238 L241 M540 E541 A542 D546 L547 I548 | F237-R544 HydrophobicContact CE1-CB 4.12Å; F238-R544 HydrophobicContact CD1-CB 4.37Å; F238-R544 HydrophobicContact CD1-CG 3.9Å; F238-R544 HydrophobicContact CE1-CB 3.5Å; F238-R544 HydrophobicContact CE1-CG 3.46Å; F238-R544 VanDerWaalsContact CE1-CG 3.46Å; F238-R544 HydrophobicContact CZ-CB 4.34Å; L241-R544 HydrophobicContact CD1-CG 4.31Å; M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.21Å; E541-R544 VanDerWaalsContact O-CB 3.29Å; E541-R544 WeakPolarHBondContact O-CB 3.36Å; E541-R544 PolarHBondContact O-N 3.38Å; E541-R544 VanDerWaalsContact O-N 3.17Å; A542-R544 VanDerWaalsContact C-N 3.3Å; A542-R544 PolarHBondContact O-N 3.11Å; R544-D546 VanDerWaalsContact C-N 3.32Å; R544-D546 PolarHBondContact O-N 3.28Å; R544-L547 PolarHBondContact O-N 3.02Å; R544-I548 HydrophobicContact CG-CD1 3.89Å; R544-I548 VanDerWaalsContact O-CG1 3.3Å; R544-I548 WeakPolarHBondContact O-CG1 3.4Å; R544-I548 PolarHBondContact O-N 2.86Å |
| 545 | A | 81.9 | Confident | 81.8 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E541 A542 L547 I548 N549 A598 R599 | E541-A545 PolarHBondContact O-N 3.19Å; A542-A545 PolarHBondContact O-N 2.97Å; A545-L547 PolarHBondContact O-N 2.95Å; A545-I548 PolarHBondContact O-N 2.95Å; A545-N549 VanDerWaalsContact O-CB 3.28Å; A545-N549 WeakPolarHBondContact O-CB 3.33Å; A545-N549 PolarHBondContact O-N 3.45Å; A545-A598 HydrophobicContact CB-CB 4.45Å; A545-R599 HydrophobicContact CB-CG 4.04Å |
| 546 | D | 85.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 178.4 | -66.2 | -19.1 | 0 | 0 | 0 | 112.4 | L255 A542 L543 R544 N549 A550 R595 R599 | L255-D546 HydrophobicContact CD1-CB 3.95Å; L255-D546 HydrophobicContact CD2-CB 4.03Å; A542-D546 WeakPolarHBondContact O-CB 3.27Å; A542-D546 PolarHBondContact O-N 2.87Å; L543-D546 PolarHBondContact O-N 3.08Å; R544-D546 VanDerWaalsContact C-N 3.32Å; R544-D546 PolarHBondContact O-N 3.28Å; D546-N549 PolarHBondContact O-N 3.27Å; D546-A550 VanDerWaalsContact O-CB 3.29Å; D546-A550 WeakPolarHBondContact O-CB 2.97Å; D546-A550 PolarHBondContact O-N 3.04Å; D546-R595 WeakPolarHBondContact OD1-CG 3.43Å; D546-R595 IonicContact OD1-CZ 3.06Å; D546-R595 IonicContact OD1-NE 2.67Å; D546-R595 PolarHBondContact OD1-NE 3.37Å; D546-R595 IonicContact OD1-NH2 2.95Å; D546-R595 IonicContact OD2-CZ 3.39Å; D546-R595 IonicContact OD2-NE 3.89Å; D546-R595 PolarHBondContact OD2-NE 2.92Å; D546-R595 IonicContact OD2-NH2 3.75Å; D546-R595 PolarHBondContact OD2-NH2 3.21Å; D546-R599 IonicContact OD1-CZ 2.72Å; D546-R599 IonicContact OD1-NE 3.86Å; D546-R599 PolarHBondContact OD1-NE 2.61Å; D546-R599 IonicContact OD1-NH2 2.79Å; D546-R599 PolarHBondContact OD1-NH2 2.91Å; D546-R599 IonicContact OD2-CZ 3.69Å; D546-R599 IonicContact OD2-NE 2.74Å; D546-R599 IonicContact OD2-NH2 2.66Å; D546-R599 PolarHBondContact OD2-NH2 3.32Å |
| 547 | L | 84.3 | Confident | 81.5 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | -180 | -169.3 | 77.1 | 0 | 0 | 0 | 111.3 | F238 V248 L252 L543 R544 A545 A550 I551 | F238-L547 HydrophobicContact CD2-CD2 4.24Å; F238-L547 HydrophobicContact CE2-CD2 3.29Å; F238-L547 HydrophobicContact CZ-CD2 3.5Å; V248-L547 HydrophobicContact CG1-CD2 4.16Å; L252-L547 HydrophobicContact CD2-CD1 4.16Å; L252-L547 HydrophobicContact CG-CD1 4.1Å; L252-L547 VanDerWaalsContact N-CD1 3.35Å; L543-L547 VanDerWaalsContact O-CB 3.24Å; L543-L547 WeakPolarHBondContact O-CB 3.2Å; L543-L547 PolarHBondContact O-N 2.83Å; R544-L547 PolarHBondContact O-N 3.02Å; A545-L547 PolarHBondContact O-N 2.95Å; L547-A550 PolarHBondContact O-N 3.41Å; L547-I551 HydrophobicContact CG-CD1 4.11Å; L547-I551 VanDerWaalsContact O-CG1 3.26Å; L547-I551 WeakPolarHBondContact O-CG1 3.42Å; L547-I551 PolarHBondContact O-N 3.49Å |
| 548 | I | 81.1 | Confident | 81.6 | Confident | 53 Ų | 53 | 26 Ų | 26 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.2 | -67.2 | 168.1 | 0 | 0 | 0 | 110 | L241 R544 A545 A550 I551 Q552 | L241-I548 HydrophobicContact CD1-CD1 3.73Å; L241-I548 HydrophobicContact CD1-CG1 4.16Å; L241-I548 HydrophobicContact CD2-CD1 4.2Å; R544-I548 HydrophobicContact CG-CD1 3.89Å; R544-I548 VanDerWaalsContact O-CG1 3.3Å; R544-I548 WeakPolarHBondContact O-CG1 3.4Å; R544-I548 PolarHBondContact O-N 2.86Å; A545-I548 PolarHBondContact O-N 2.95Å; I548-A550 VanDerWaalsContact C-N 3.34Å; I548-A550 PolarHBondContact O-N 2.9Å; I548-I551 PolarHBondContact O-N 3.04Å; I548-Q552 HydrophobicContact CG2-CG 4.25Å; I548-Q552 WeakPolarHBondContact O-CB 3.24Å; I548-Q552 WeakPolarHBondContact O-CG 3.43Å; I548-Q552 PolarHBondContact O-N 2.83Å |
| 549 | N | 84.6 | Confident | 81.5 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.8 | -177.7 | -63.2 | 0 | 0 | 0 | 111.1 | A545 D546 I551 Q552 R553 Y591 A598 | A545-N549 VanDerWaalsContact O-CB 3.28Å; A545-N549 WeakPolarHBondContact O-CB 3.33Å; A545-N549 PolarHBondContact O-N 3.45Å; D546-N549 PolarHBondContact O-N 3.27Å; N549-I551 VanDerWaalsContact C-N 3.34Å; N549-I551 PolarHBondContact O-N 3.49Å; N549-Q552 PolarHBondContact O-N 3.3Å; N549-R553 PolarHBondContact O-N 3.42Å; N549-R553 VanDerWaalsContact O-N 3.1Å; N549-R553 WeakPolarHBondContact OD1-CD 3.37Å; N549-Y591 WeakPolarHBondContact OD1-CE2 3.33Å; N549-A598 HydrophobicContact CB-CB 4.38Å |
| 550 | A | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L254 L255 F258 D546 L547 I548 S554 | L254-A550 HydrophobicContact CB-CB 4.32Å; L255-A550 HydrophobicContact CB-CB 4.37Å; F258-A550 HydrophobicContact CD2-CB 3.86Å; F258-A550 HydrophobicContact CE2-CB 3.86Å; D546-A550 VanDerWaalsContact O-CB 3.29Å; D546-A550 WeakPolarHBondContact O-CB 2.97Å; D546-A550 PolarHBondContact O-N 3.04Å; L547-A550 PolarHBondContact O-N 3.41Å; I548-A550 VanDerWaalsContact C-N 3.34Å; I548-A550 PolarHBondContact O-N 2.9Å; A550-S554 PolarHBondContact O-N 3.06Å |
| 551 | I | 83.3 | Confident | 81.1 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 177.1 | -68 | 167.6 | 0 | 0 | 0 | 111.2 | I85 L86 L547 I548 N549 R553 S554 | I85-I551 HydrophobicContact CB-CG2 4.13Å; I85-I551 HydrophobicContact CG2-CG2 3.87Å; L86-I551 HydrophobicContact CD1-CG2 4.2Å; L86-I551 HydrophobicContact CD2-CG2 3.9Å; L86-I551 HydrophobicContact CG-CG2 3.88Å; L547-I551 HydrophobicContact CG-CD1 4.11Å; L547-I551 VanDerWaalsContact O-CG1 3.26Å; L547-I551 WeakPolarHBondContact O-CG1 3.42Å; L547-I551 PolarHBondContact O-N 3.49Å; I548-I551 PolarHBondContact O-N 3.04Å; N549-I551 VanDerWaalsContact C-N 3.34Å; N549-I551 PolarHBondContact O-N 3.49Å; I551-R553 VanDerWaalsContact C-N 3.26Å; I551-R553 PolarHBondContact O-N 3.33Å; I551-S554 WeakPolarHBondContact O-CB 3.5Å; I551-S554 PolarHBondContact O-N 3.16Å |
| 552 | Q | 83.4 | Confident | 81 | Confident | 126 Ų | 126 | 29.3 Ų | 29.3 | 59% | 0.589 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -60.7 | -35.9 | 178.2 | -77.9 | 175.2 | -15.9 | 0 | 0 | 112.6 | L86 I548 N549 S554 | L86-Q552 HydrophobicContact CD1-CB 4.24Å; L86-Q552 HydrophobicContact CD1-CG 3.58Å; I548-Q552 HydrophobicContact CG2-CG 4.25Å; I548-Q552 WeakPolarHBondContact O-CB 3.24Å; I548-Q552 WeakPolarHBondContact O-CG 3.43Å; I548-Q552 PolarHBondContact O-N 2.83Å; N549-Q552 PolarHBondContact O-N 3.3Å; Q552-S554 VanDerWaalsContact C-N 3.28Å; Q552-S554 PolarHBondContact O-N 3.44Å |
| 553 | R | 81.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 29.9 Ų | 29.9 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.4 | 175.6 | -73.1 | 174.3 | 154.5 | -124.8 | -0.8 | 113.9 | N549 I551 V555 S577 Y591 E594 | N549-R553 PolarHBondContact O-N 3.42Å; N549-R553 VanDerWaalsContact O-N 3.1Å; N549-R553 WeakPolarHBondContact OD1-CD 3.37Å; I551-R553 VanDerWaalsContact C-N 3.26Å; I551-R553 PolarHBondContact O-N 3.33Å; R553-V555 PolarHBondContact O-N 2.87Å; R553-S577 WeakPolarHBondContact O-CB 3.41Å; R553-Y591 VanDerWaalsContact CZ-CD2 3.46Å; R553-Y591 VanDerWaalsContact NH1-CB 3.33Å; R553-E594 IonicContact CZ-OE2 2.69Å; R553-E594 IonicContact NE-OE2 3.52Å; R553-E594 PolarHBondContact NE-OE2 3.26Å; R553-E594 IonicContact NH2-OE1 3.53Å; R553-E594 PolarHBondContact NH2-OE1 3.18Å; R553-E594 IonicContact NH2-OE2 3.19Å; R553-E594 PolarHBondContact NH2-OE2 3.45Å |
| 554 | S | 82.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | trans | -70.2 | 122.3 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | S84 I85 A550 I551 Q552 D556 | S84-S554 WeakPolarHBondContact CB-O 3.26Å; I85-S554 WeakPolarHBondContact CD1-OG 3.29Å; A550-S554 PolarHBondContact O-N 3.06Å; I551-S554 WeakPolarHBondContact O-CB 3.5Å; I551-S554 PolarHBondContact O-N 3.16Å; Q552-S554 VanDerWaalsContact C-N 3.28Å; Q552-S554 PolarHBondContact O-N 3.44Å; S554-D556 PolarHBondContact OG-O 3.37Å | ||
| 555 | V | 81.3 | Confident | 78.5 | Confident | 86 Ų | 86 | 31.6 Ų | 31.6 | 52% | 0.521 | 16% | 0.163 | S | C | . | . | trans | -95.9 | -17.2 | 170.6 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | R553 T576 | R553-V555 PolarHBondContact O-N 2.87Å; V555-T576 HydrophobicContact CG2-CG2 4.11Å | ||
| 556 | D | 79.2 | Confident | 77.2 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -88.9 | 154.9 | -176.4 | -59.3 | -74.3 | 0 | 0 | 0 | 112.7 | I85 S554 K560 P575 T576 | I85-D556 WeakPolarHBondContact CG1-O 3.44Å; S554-D556 PolarHBondContact OG-O 3.37Å; D556-K560 HydrophobicContact CB-CB 4.43Å; D556-K560 HydrophobicContact CB-CD 4.1Å; D556-K560 WeakPolarHBondContact OD1-CD 3.47Å; D556-K560 WeakPolarHBondContact OD1-CE 3.36Å; D556-K560 IonicContact OD1-NZ 3.41Å; D556-K560 PolarHBondContact OD1-NZ 3.01Å; D556-P575 WeakPolarHBondContact OD2-CA 3.49Å; D556-T576 PolarHBondContact OD1-OG1 3.1Å; D556-T576 WeakPolarHBondContact OD2-CB 3.45Å; D556-T576 PolarHBondContact OD2-N 3.36Å; D556-T576 PolarHBondContact OD2-OG1 3.29Å |
| 557 | P | 77.9 | Confident | 75.4 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | trans | -69.7 | 151.7 | 169.2 | 30.1 | -36.4 | 0 | 0 | 0 | 111.5 | W559 K560 | P557-W559 VanDerWaalsContact C-N 3.29Å; P557-W559 PolarHBondContact O-N 3.1Å; P557-W559 VanDerWaalsContact O-N 3.13Å; P557-K560 HydrophobicContact CG-CB 4.42Å; P557-K560 PolarHBondContact O-N 3.14Å; P557-K560 VanDerWaalsContact O-N 3.1Å | ||
| 558 | K | 79.1 | Confident | 73.3 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49.7 | -43.1 | -175.7 | -84.3 | -172.5 | -83.3 | -177.7 | 0 | 114.5 | D16 D17 I85 S246 D247 A250 K560 T561 I562 | D16-K558 WeakPolarHBondContact OD1-CE 3.46Å; D16-K558 IonicContact OD1-NZ 3.56Å; D16-K558 PolarHBondContact OD1-NZ 3.14Å; D16-K558 WeakPolarHBondContact OD2-CE 3.42Å; D16-K558 IonicContact OD2-NZ 3.34Å; D17-K558 VanDerWaalsContact OD1-CE 3.31Å; D17-K558 WeakPolarHBondContact OD1-CE 3.48Å; D17-K558 IonicContact OD1-NZ 2.7Å; D17-K558 PolarHBondContact OD1-NZ 3.41Å; D17-K558 IonicContact OD2-NZ 2.74Å; D17-K558 PolarHBondContact OD2-NZ 3.06Å; I85-K558 HydrophobicContact CB-CG 4.41Å; I85-K558 HydrophobicContact CD1-CG 3.94Å; I85-K558 HydrophobicContact CG1-CG 3.83Å; I85-K558 HydrophobicContact CG2-CD 4.24Å; I85-K558 HydrophobicContact CG2-CG 3.91Å; S246-K558 PolarHBondContact OG-NZ 2.99Å; D247-K558 WeakPolarHBondContact OD1-CD 3.24Å; D247-K558 WeakPolarHBondContact OD1-CE 3.5Å; D247-K558 IonicContact OD1-NZ 3.67Å; D247-K558 PolarHBondContact OD1-NZ 3.37Å; A250-K558 HydrophobicContact CB-CD 4.43Å; A250-K558 HydrophobicContact CB-CG 3.94Å; K558-K560 VanDerWaalsContact C-N 3.27Å; K558-K560 PolarHBondContact O-N 3.36Å; K558-T561 WeakPolarHBondContact O-CB 3.14Å; K558-T561 PolarHBondContact O-N 3.35Å; K558-I562 HydrophobicContact CB-CD1 4.35Å; K558-I562 WeakPolarHBondContact O-CG1 3.45Å; K558-I562 PolarHBondContact O-N 2.69Å |
| 559 | W | 75.2 | Confident | 71.1 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 30% | 0.303 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | -175.6 | 77.4 | -95 | 0 | 0 | 0 | 112.1 | V19 M81 P557 S563 | V19-W559 HydrophobicContact CB-CG 4.45Å; V19-W559 HydrophobicContact CG1-CB 4.47Å; V19-W559 HydrophobicContact CG1-CG 4.08Å; M81-W559 HydrophobicContact CE-CZ2 3.77Å; P557-W559 VanDerWaalsContact C-N 3.29Å; P557-W559 PolarHBondContact O-N 3.1Å; P557-W559 VanDerWaalsContact O-N 3.13Å; W559-S563 WeakPolarHBondContact O-CB 3.49Å; W559-S563 PolarHBondContact O-N 2.67Å; W559-S563 PolarHBondContact O-OG 2.65Å |
| 560 | K | 78.4 | Confident | 69.1 | Low | 41 Ų | 41 | 49.6 Ų | 49.6 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 178.9 | -177.7 | 174.9 | 169.7 | -167.1 | 0 | 110.4 | D556 P557 K558 S563 C564 P573 E574 T576 | D556-K560 HydrophobicContact CB-CB 4.43Å; D556-K560 HydrophobicContact CB-CD 4.1Å; D556-K560 WeakPolarHBondContact OD1-CD 3.47Å; D556-K560 WeakPolarHBondContact OD1-CE 3.36Å; D556-K560 IonicContact OD1-NZ 3.41Å; D556-K560 PolarHBondContact OD1-NZ 3.01Å; P557-K560 HydrophobicContact CG-CB 4.42Å; P557-K560 PolarHBondContact O-N 3.14Å; P557-K560 VanDerWaalsContact O-N 3.1Å; K558-K560 VanDerWaalsContact C-N 3.27Å; K558-K560 PolarHBondContact O-N 3.36Å; K560-S563 PolarHBondContact O-OG 2.95Å; K560-S563 VanDerWaalsContact O-OG 3.14Å; K560-C564 PolarHBondContact O-N 2.94Å; K560-P573 HydrophobicContact CG-CG 4.39Å; K560-E574 WeakPolarHBondContact CE-O 3.5Å; K560-T576 PolarHBondContact NZ-OG1 3.4Å |
| 561 | T | 75.8 | Confident | 67.1 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | A250 V253 L254 K558 | A250-T561 HydrophobicContact CB-CG2 4.21Å; V253-T561 HydrophobicContact CB-CG2 4.3Å; V253-T561 HydrophobicContact CG1-CG2 4.08Å; V253-T561 WeakPolarHBondContact CG1-O 3.07Å; L254-T561 HydrophobicContact CD1-CG2 4.12Å; L254-T561 HydrophobicContact CD2-CG2 3.79Å; L254-T561 HydrophobicContact CG-CG2 3.55Å; K558-T561 WeakPolarHBondContact O-CB 3.14Å; K558-T561 PolarHBondContact O-N 3.35Å |
| 562 | I | 72.9 | Confident | 65.7 | Low | 45 Ų | 45 | 54.5 Ų | 54.5 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72 | -43 | -175.8 | -63.2 | 170 | 0 | 0 | 0 | 111 | V249 A250 K558 C564 S565 V566 | V249-I562 HydrophobicContact CG1-CD1 4.45Å; V249-I562 HydrophobicContact CG1-CG1 4.37Å; A250-I562 HydrophobicContact CB-CD1 4.25Å; A250-I562 HydrophobicContact CB-CG1 4.09Å; K558-I562 HydrophobicContact CB-CD1 4.35Å; K558-I562 WeakPolarHBondContact O-CG1 3.45Å; K558-I562 PolarHBondContact O-N 2.69Å; I562-C564 VanDerWaalsContact C-N 3.3Å; I562-C564 PolarHBondContact O-N 3.38Å; I562-S565 WeakPolarHBondContact O-CB 3.39Å; I562-S565 PolarHBondContact O-N 3.41Å; I562-V566 HydrophobicContact CG2-CG2 4.41Å; I562-V566 WeakPolarHBondContact O-CG2 3.32Å; I562-V566 PolarHBondContact O-N 3.42Å |
| 563 | S | 67.9 | Low | 64.7 | Low | 28 Ų | 28 | 51.9 Ų | 51.9 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -35.6 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | W559 K560 S565 V566 I567 | W559-S563 WeakPolarHBondContact O-CB 3.49Å; W559-S563 PolarHBondContact O-N 2.67Å; W559-S563 PolarHBondContact O-OG 2.65Å; K560-S563 PolarHBondContact O-OG 2.95Å; K560-S563 VanDerWaalsContact O-OG 3.14Å; S563-S565 PolarHBondContact O-N 2.76Å; S563-V566 PolarHBondContact O-N 2.87Å; S563-I567 PolarHBondContact O-N 2.84Å; S563-I567 VanDerWaalsContact O-N 3.09Å |
| 564 | C | 67 | Low | 64.3 | Low | 24 Ų | 24 | 52.5 Ų | 52.5 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -27.4 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | K257 K560 I562 | K257-C564 PolarHBondContact NZ-SG 3.01Å; K560-C564 PolarHBondContact O-N 2.94Å; I562-C564 VanDerWaalsContact C-N 3.3Å; I562-C564 PolarHBondContact O-N 3.38Å |
| 565 | S | 61.2 | Low | 64 | Low | 47 Ų | 47 | 52.4 Ų | 52.4 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -82.9 | -17.9 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 113.8 | I562 S563 | I562-S565 WeakPolarHBondContact O-CB 3.39Å; I562-S565 PolarHBondContact O-N 3.41Å; S563-S565 PolarHBondContact O-N 2.76Å |
| 566 | V | 54.4 | Low | 63.9 | Low | 74 Ų | 74 | 50.6 Ų | 50.6 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -102.8 | -18.9 | -172 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | R224 I562 S563 C568 | R224-V566 VanDerWaalsContact NH2-C 3.3Å; R224-V566 PolarHBondContact NH2-O 2.93Å; I562-V566 HydrophobicContact CG2-CG2 4.41Å; I562-V566 WeakPolarHBondContact O-CG2 3.32Å; I562-V566 PolarHBondContact O-N 3.42Å; S563-V566 PolarHBondContact O-N 2.87Å; V566-C568 PolarHBondContact O-N 2.92Å |
| 567 | I | 48.1 | Very low | 63.8 | Low | 83 Ų | 83 | 50.7 Ų | 50.7 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | trans | -91.8 | 101.7 | 178.7 | -60.5 | 169 | 0 | 0 | 0 | 108.8 | S563 C569 | S563-I567 PolarHBondContact O-N 2.84Å; S563-I567 VanDerWaalsContact O-N 3.09Å; I567-C569 PolarHBondContact O-N 3.46Å | ||
| 568 | C | 39.6 | Very low | 63.7 | Low | 122 Ų | 122 | 49.9 Ų | 49.9 | 82% | 0.824 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 4.3 | -170.9 | -160.4 | 0 | 0 | 0 | 0 | 115.3 | V566 | V566-C568 PolarHBondContact O-N 2.92Š|
| 569 | C | 34.8 | Very low | 63.7 | Low | 103 Ų | 103 | 53 Ų | 53 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.6 | -175.1 | -66.9 | 0 | 0 | 0 | 0 | 114.4 | I567 C571 | I567-C569 PolarHBondContact O-N 3.46Å; C569-C571 PolarHBondContact O-N 3.31Å; C569-C571 PolarHBondContact O-SG 3.28Å |
| 570 | G | 42.1 | Very low | 63.8 | Low | 75 Ų | 75 | 53.9 Ų | 53.9 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 67.2 | 5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 571 | C | 42.6 | Very low | 63.6 | Low | 107 Ų | 107 | 52.3 Ų | 52.3 | 72% | 0.723 | 34% | 0.337 | S | S | * | . | trans | -88.6 | 4.1 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 113.9 | C569 | C569-C571 PolarHBondContact O-N 3.31Å; C569-C571 PolarHBondContact O-SG 3.28Å | ||
| 572 | G | 55.1 | Low | 63.5 | Low | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -83.1 | 140.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E574 | G572-E574 PolarHBondContact O-N 3.33Š|
| 573 | P | 62.3 | Low | 63.5 | Low | 71 Ų | 71 | 55.2 Ų | 55.2 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.3 | 178.5 | 25.9 | -33 | 0 | 0 | 0 | 109.9 | K560 | K560-P573 HydrophobicContact CG-CG 4.39Š|
| 574 | E | 73.4 | Confident | 63.8 | Low | 76 Ų | 76 | 59.4 Ų | 59.4 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.1 | 174.5 | -69.5 | -140.8 | 119 | 0 | 0 | 110.8 | K257 R260 K560 G572 T576 V579 | K257-E574 IonicContact NZ-OE1 2.76Å; K257-E574 PolarHBondContact NZ-OE1 3.49Å; R260-E574 IonicContact NH2-OE1 2.8Å; K560-E574 WeakPolarHBondContact CE-O 3.5Å; G572-E574 PolarHBondContact O-N 3.33Å; E574-T576 PolarHBondContact O-N 3.39Å; E574-V579 HydrophobicContact CB-CG2 3.84Å |
| 575 | P | 76.3 | Confident | 64.2 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 135.4 | 172.6 | -20.9 | 32.2 | 0 | 0 | 0 | 110.3 | L254 K257 D556 S577 V578 V579 | L254-P575 HydrophobicContact CD2-CB 4.12Å; L254-P575 HydrophobicContact CD2-CG 4.22Å; K257-P575 HydrophobicContact CD-CG 4.41Å; D556-P575 WeakPolarHBondContact OD2-CA 3.49Å; P575-S577 PolarHBondContact O-N 3.03Å; P575-V578 HydrophobicContact CB-CB 4.36Å; P575-V578 HydrophobicContact CB-CG2 3.94Å; P575-V578 HydrophobicContact CG-CG2 4.07Å; P575-V578 WeakPolarHBondContact O-CA 3.41Å; P575-V578 WeakPolarHBondContact O-CB 3.41Å; P575-V578 PolarHBondContact O-N 2.84Å; P575-V579 PolarHBondContact O-N 3.38Å |
| 576 | T | 78.8 | Confident | 64.9 | Low | 49 Ų | 49 | 62.6 Ų | 62.6 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.5 | -37.1 | -179.8 | -45.4 | 0 | 0 | 0 | 0 | 111.2 | V555 D556 K560 E574 V578 V579 N580 | V555-T576 HydrophobicContact CG2-CG2 4.11Å; D556-T576 PolarHBondContact OD1-OG1 3.1Å; D556-T576 WeakPolarHBondContact OD2-CB 3.45Å; D556-T576 PolarHBondContact OD2-N 3.36Å; D556-T576 PolarHBondContact OD2-OG1 3.29Å; K560-T576 PolarHBondContact NZ-OG1 3.4Å; E574-T576 PolarHBondContact O-N 3.39Å; T576-V578 VanDerWaalsContact C-N 3.29Å; T576-V578 PolarHBondContact O-N 3.35Å; T576-V579 PolarHBondContact O-N 3.34Å; T576-N580 WeakPolarHBondContact O-CB 3.44Å; T576-N580 PolarHBondContact O-N 3.01Å; T576-N580 PolarHBondContact O-OD1 2.86Å |
| 577 | S | 76.4 | Confident | 66.1 | Low | 11 Ų | 11 | 62.9 Ų | 62.9 | 8% | 0.077 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.5 | -34.5 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 113 | R553 P575 M581 | R553-S577 WeakPolarHBondContact O-CB 3.41Å; P575-S577 PolarHBondContact O-N 3.03Å; S577-M581 VanDerWaalsContact O-CB 3.3Å; S577-M581 WeakPolarHBondContact O-CB 3.22Å; S577-M581 PolarHBondContact O-N 3.22Å; S577-M581 VanDerWaalsContact O-N 3.14Å |
| 578 | V | 77.2 | Confident | 67.6 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.1 | -42.9 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 110 | L254 K257 F258 L261 P575 T576 M581 S582 | L254-V578 HydrophobicContact CD2-CG2 4.35Å; K257-V578 HydrophobicContact CB-CG1 4.27Å; K257-V578 HydrophobicContact CB-CG2 3.88Å; K257-V578 HydrophobicContact CD-CB 4.43Å; K257-V578 HydrophobicContact CD-CG1 4.09Å; K257-V578 HydrophobicContact CD-CG2 3.76Å; K257-V578 HydrophobicContact CG-CG2 4.49Å; F258-V578 HydrophobicContact CD1-CG2 4.25Å; F258-V578 HydrophobicContact CE1-CG2 3.77Å; L261-V578 HydrophobicContact CD1-CG1 3.79Å; P575-V578 HydrophobicContact CB-CB 4.36Å; P575-V578 HydrophobicContact CB-CG2 3.94Å; P575-V578 HydrophobicContact CG-CG2 4.07Å; P575-V578 WeakPolarHBondContact O-CA 3.41Å; P575-V578 WeakPolarHBondContact O-CB 3.41Å; P575-V578 PolarHBondContact O-N 2.84Å; T576-V578 VanDerWaalsContact C-N 3.29Å; T576-V578 PolarHBondContact O-N 3.35Å; V578-M581 PolarHBondContact O-N 3.47Å; V578-S582 WeakPolarHBondContact O-CB 3.49Å; V578-S582 PolarHBondContact O-N 3.1Å; V578-S582 PolarHBondContact O-OG 3.09Å |
| 579 | V | 78.1 | Confident | 69.7 | Low | 68 Ų | 68 | 55.8 Ų | 55.8 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | E574 P575 T576 M581 S582 G583 | E574-V579 HydrophobicContact CB-CG2 3.84Å; P575-V579 PolarHBondContact O-N 3.38Å; T576-V579 PolarHBondContact O-N 3.34Å; V579-M581 VanDerWaalsContact C-N 3.31Å; V579-M581 PolarHBondContact O-N 3.41Å; V579-S582 PolarHBondContact O-N 3.06Å; V579-S582 VanDerWaalsContact O-N 3.14Å; V579-S582 PolarHBondContact O-OG 3.48Å; V579-G583 PolarHBondContact O-N 2.94Å |
| 580 | N | 77.3 | Confident | 72 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.7 | -69.5 | -8.2 | 0 | 0 | 0 | 111.8 | T576 G583 | T576-N580 WeakPolarHBondContact O-CB 3.44Å; T576-N580 PolarHBondContact O-N 3.01Å; T576-N580 PolarHBondContact O-OD1 2.86Å; N580-G583 PolarHBondContact O-N 2.95Å |
| 581 | M | 73.5 | Confident | 73.9 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.4 | -173 | -176.1 | -68.4 | 0 | 0 | 112.4 | F258 L261 S577 V578 V579 G583 I588 Y591 | F258-M581 HydrophobicContact CB-CE 4.42Å; F258-M581 HydrophobicContact CB-SD 4.25Å; F258-M581 HydrophobicContact CD1-CE 3.27Å; F258-M581 HydrophobicContact CD1-SD 3.36Å; F258-M581 WeakPolarHBondContact CD1-SD 3.44Å; F258-M581 HydrophobicContact CD2-CE 4.3Å; F258-M581 HydrophobicContact CE1-CE 3.38Å; F258-M581 HydrophobicContact CE1-SD 3.92Å; F258-M581 HydrophobicContact CE2-CE 4.39Å; F258-M581 HydrophobicContact CG-CE 3.77Å; F258-M581 HydrophobicContact CG-SD 4.03Å; F258-M581 HydrophobicContact CZ-CE 3.96Å; L261-M581 HydrophobicContact CB-SD 4.4Å; L261-M581 HydrophobicContact CD1-CB 3.97Å; L261-M581 HydrophobicContact CD1-CG 3.95Å; L261-M581 HydrophobicContact CD1-SD 3.88Å; S577-M581 VanDerWaalsContact O-CB 3.3Å; S577-M581 WeakPolarHBondContact O-CB 3.22Å; S577-M581 PolarHBondContact O-N 3.22Å; S577-M581 VanDerWaalsContact O-N 3.14Å; V578-M581 PolarHBondContact O-N 3.47Å; V579-M581 VanDerWaalsContact C-N 3.31Å; V579-M581 PolarHBondContact O-N 3.41Å; M581-G583 VanDerWaalsContact C-N 3.26Å; M581-G583 PolarHBondContact O-N 3.17Å; M581-I588 HydrophobicContact CG-CG1 3.89Å; M581-I588 WeakPolarHBondContact O-CG1 3.49Å; M581-Y591 HydrophobicContact CE-CD1 3.95Å; M581-Y591 HydrophobicContact CE-CD2 3.83Å; M581-Y591 HydrophobicContact CE-CE1 4.42Å; M581-Y591 HydrophobicContact CE-CE2 4.28Å; M581-Y591 HydrophobicContact CE-CG 3.61Å; M581-Y591 HydrophobicContact SD-CD1 4.2Å; M581-Y591 HydrophobicContact SD-CG 4.35Å |
| 582 | S | 75.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.3 | -17.8 | 178.8 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | V578 V579 | V578-S582 WeakPolarHBondContact O-CB 3.49Å; V578-S582 PolarHBondContact O-N 3.1Å; V578-S582 PolarHBondContact O-OG 3.09Å; V579-S582 PolarHBondContact O-N 3.06Å; V579-S582 VanDerWaalsContact O-N 3.14Å; V579-S582 PolarHBondContact O-OG 3.48Å |
| 583 | G | 71.7 | Confident | 77.2 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -73.5 | -32.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | V579 N580 M581 | V579-G583 PolarHBondContact O-N 2.94Å; N580-G583 PolarHBondContact O-N 2.95Å; M581-G583 VanDerWaalsContact C-N 3.26Å; M581-G583 PolarHBondContact O-N 3.17Å |
| 584 | Q | 74.5 | Confident | 78.1 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | trans | -146.4 | 141.3 | 176.3 | -58.6 | -178.1 | -5.7 | 0 | 0 | 111.8 | T586 H587 | Q584-T586 WeakPolarHBondContact CB-OG1 3.22Å; Q584-T586 PolarHBondContact O-N 2.89Å; Q584-T586 PolarHBondContact OE1-OG1 3.45Å; Q584-H587 WeakPolarHBondContact O-CB 3.2Å; Q584-H587 PolarHBondContact O-N 3.39Å; Q584-H587 VanDerWaalsContact O-N 3.16Å | ||
| 585 | D | 75.4 | Confident | 78.6 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -25.7 | 179.5 | -81.5 | 6.9 | 0 | 0 | 0 | 113.6 | R268 Q269 H587 I588 N589 | R268-D585 IonicContact CZ-OD1 3.33Å; R268-D585 IonicContact NH1-OD1 2.84Å; R268-D585 IonicContact NH2-OD1 3.58Å; R268-D585 PolarHBondContact NH2-OD1 2.92Å; Q269-D585 PolarHBondContact NE2-OD2 3.39Å; D585-H587 VanDerWaalsContact C-N 3.32Å; D585-H587 PolarHBondContact O-N 3.49Å; D585-I588 PolarHBondContact O-N 2.74Å; D585-N589 PolarHBondContact O-N 2.89Å |
| 586 | T | 76.1 | Confident | 78.8 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 53% | 0.534 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 173.1 | 47 | 0 | 0 | 0 | 0 | 112.2 | Q584 I588 N589 Q590 | Q584-T586 WeakPolarHBondContact CB-OG1 3.22Å; Q584-T586 PolarHBondContact O-N 2.89Å; Q584-T586 PolarHBondContact OE1-OG1 3.45Å; T586-I588 VanDerWaalsContact C-N 3.28Å; T586-I588 PolarHBondContact O-N 3.18Å; T586-N589 PolarHBondContact O-N 3.24Å; T586-Q590 WeakPolarHBondContact O-CB 3.4Å; T586-Q590 PolarHBondContact O-N 3.48Å |
| 587 | H | 79.5 | Confident | 79 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.9 | -30.2 | 177.1 | -66.5 | -60.6 | 0 | 0 | 0 | 112.7 | Q584 D585 Y591 | Q584-H587 WeakPolarHBondContact O-CB 3.2Å; Q584-H587 PolarHBondContact O-N 3.39Å; Q584-H587 VanDerWaalsContact O-N 3.16Å; D585-H587 VanDerWaalsContact C-N 3.32Å; D585-H587 PolarHBondContact O-N 3.49Å; H587-Y591 WeakPolarHBondContact O-CB 3.28Å; H587-Y591 PolarHBondContact O-N 2.9Å |
| 588 | I | 80.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.8 | -42.6 | 177.1 | -58.3 | 175.7 | 0 | 0 | 0 | 110.1 | E262 A265 M581 D585 T586 Y591 Q592 | E262-I588 HydrophobicContact CG-CG2 4.19Å; A265-I588 HydrophobicContact CB-CB 4.35Å; A265-I588 HydrophobicContact CB-CD1 3.66Å; A265-I588 HydrophobicContact CB-CG2 3.78Å; M581-I588 HydrophobicContact CG-CG1 3.89Å; M581-I588 WeakPolarHBondContact O-CG1 3.49Å; D585-I588 PolarHBondContact O-N 2.74Å; T586-I588 VanDerWaalsContact C-N 3.28Å; T586-I588 PolarHBondContact O-N 3.18Å; I588-Y591 WeakPolarHBondContact O-CB 3.4Å; I588-Y591 PolarHBondContact O-N 3.38Å; I588-Q592 WeakPolarHBondContact O-CG 3.49Å; I588-Q592 PolarHBondContact O-N 2.92Å |
| 589 | N | 82.4 | Confident | 79.1 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.1 | -69.7 | -19.5 | 0 | 0 | 0 | 111.6 | D585 T586 Y591 Q592 E593 | D585-N589 PolarHBondContact O-N 2.89Å; T586-N589 PolarHBondContact O-N 3.24Å; N589-Y591 VanDerWaalsContact C-N 3.28Å; N589-Y591 PolarHBondContact O-N 2.89Å; N589-Q592 WeakPolarHBondContact O-CB 3.28Å; N589-Q592 PolarHBondContact O-N 3.02Å; N589-Q592 VanDerWaalsContact O-N 3.14Å; N589-E593 PolarHBondContact O-N 2.65Å; N589-E593 VanDerWaalsContact O-N 3.1Å |
| 590 | Q | 83.6 | Confident | 78.8 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 174.5 | -172.4 | -174.4 | -9.9 | 0 | 0 | 112.1 | T586 E593 E594 | T586-Q590 WeakPolarHBondContact O-CB 3.4Å; T586-Q590 PolarHBondContact O-N 3.48Å; Q590-E593 PolarHBondContact O-N 3.29Å; Q590-E594 PolarHBondContact NE2-OE1 3.19Å; Q590-E594 PolarHBondContact O-N 3.29Å |
| 591 | Y | 82.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.7 | 177.4 | -117.4 | 0 | 0 | 0 | 112.6 | F258 E262 N549 R553 M581 H587 I588 N589 E593 E594 R595 | F258-Y591 HydrophobicContact CB-CE1 3.71Å; F258-Y591 HydrophobicContact CD2-CE2 4.23Å; F258-Y591 AromaticContact CD2-CZ 3.94Å; F258-Y591 HydrophobicContact CG-CE1 4.36Å; E262-Y591 VanDerWaalsContact CD-CE1 3.48Å; E262-Y591 HydrophobicContact CG-CD1 3.91Å; E262-Y591 HydrophobicContact CG-CE1 4.06Å; E262-Y591 WeakPolarHBondContact OE1-CD1 3.47Å; E262-Y591 WeakPolarHBondContact OE1-CE1 3.46Å; N549-Y591 WeakPolarHBondContact OD1-CE2 3.33Å; R553-Y591 VanDerWaalsContact CZ-CD2 3.46Å; R553-Y591 VanDerWaalsContact NH1-CB 3.33Å; M581-Y591 HydrophobicContact CE-CD1 3.95Å; M581-Y591 HydrophobicContact CE-CD2 3.83Å; M581-Y591 HydrophobicContact CE-CE1 4.42Å; M581-Y591 HydrophobicContact CE-CE2 4.28Å; M581-Y591 HydrophobicContact CE-CG 3.61Å; M581-Y591 HydrophobicContact SD-CD1 4.2Å; M581-Y591 HydrophobicContact SD-CG 4.35Å; H587-Y591 WeakPolarHBondContact O-CB 3.28Å; H587-Y591 PolarHBondContact O-N 2.9Å; I588-Y591 WeakPolarHBondContact O-CB 3.4Å; I588-Y591 PolarHBondContact O-N 3.38Å; N589-Y591 VanDerWaalsContact C-N 3.28Å; N589-Y591 PolarHBondContact O-N 2.89Å; Y591-E593 VanDerWaalsContact C-N 3.31Å; Y591-E593 PolarHBondContact O-N 2.83Å; Y591-E594 PolarHBondContact O-N 3.41Å; Y591-R595 VanDerWaalsContact O-CB 3.22Å; Y591-R595 WeakPolarHBondContact O-CB 3.16Å; Y591-R595 PolarHBondContact O-N 3.23Å |
| 592 | Q | 82.5 | Confident | 77.6 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.9 | -71 | 177.2 | 1.8 | 0 | 0 | 111.5 | E262 I588 N589 R595 G596 | E262-Q592 HydrophobicContact CG-CG 4.33Å; E262-Q592 WeakPolarHBondContact OE1-CG 3.39Å; I588-Q592 WeakPolarHBondContact O-CG 3.49Å; I588-Q592 PolarHBondContact O-N 2.92Å; N589-Q592 WeakPolarHBondContact O-CB 3.28Å; N589-Q592 PolarHBondContact O-N 3.02Å; N589-Q592 VanDerWaalsContact O-N 3.14Å; Q592-R595 PolarHBondContact O-N 3.34Å; Q592-G596 PolarHBondContact O-N 3.15Å |
| 593 | E | 84.1 | Confident | 76.4 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.9 | -46.5 | 177.9 | -70.6 | 177 | -175.5 | 0 | 0 | 112.6 | N589 Q590 Y591 R595 G596 T597 | N589-E593 PolarHBondContact O-N 2.65Å; N589-E593 VanDerWaalsContact O-N 3.1Å; Q590-E593 PolarHBondContact O-N 3.29Å; Y591-E593 VanDerWaalsContact C-N 3.31Å; Y591-E593 PolarHBondContact O-N 2.83Å; E593-R595 VanDerWaalsContact C-N 3.33Å; E593-R595 PolarHBondContact O-N 3.07Å; E593-G596 PolarHBondContact O-N 3.09Å; E593-T597 WeakPolarHBondContact O-CB 3.36Å; E593-T597 PolarHBondContact O-N 2.69Å; E593-T597 PolarHBondContact O-OG1 3.03Å |
| 594 | E | 81.7 | Confident | 75 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177 | -77.8 | 179 | -142.2 | 0 | 0 | 112.2 | R553 Q590 Y591 T597 A598 | R553-E594 IonicContact CZ-OE2 2.69Å; R553-E594 IonicContact NE-OE2 3.52Å; R553-E594 PolarHBondContact NE-OE2 3.26Å; R553-E594 IonicContact NH2-OE1 3.53Å; R553-E594 PolarHBondContact NH2-OE1 3.18Å; R553-E594 IonicContact NH2-OE2 3.19Å; R553-E594 PolarHBondContact NH2-OE2 3.45Å; Q590-E594 PolarHBondContact NE2-OE1 3.19Å; Q590-E594 PolarHBondContact O-N 3.29Å; Y591-E594 PolarHBondContact O-N 3.41Å; E594-T597 PolarHBondContact O-N 3.41Å; E594-A598 WeakPolarHBondContact O-CB 3.3Å; E594-A598 PolarHBondContact O-N 3.46Å |
| 595 | R | 82.6 | Confident | 73.3 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 6% | 0.06 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.1 | -175.1 | -176.8 | 176.5 | -166.6 | 0.3 | 111.2 | E262 D546 Y591 Q592 E593 T597 A598 R599 E658 | E262-R595 IonicContact OE1-NH1 3.89Å; E262-R595 IonicContact OE2-NH1 3.18Å; E262-R595 PolarHBondContact OE2-NH1 3.14Å; D546-R595 WeakPolarHBondContact OD1-CG 3.43Å; D546-R595 IonicContact OD1-CZ 3.06Å; D546-R595 IonicContact OD1-NE 2.67Å; D546-R595 PolarHBondContact OD1-NE 3.37Å; D546-R595 IonicContact OD1-NH2 2.95Å; D546-R595 IonicContact OD2-CZ 3.39Å; D546-R595 IonicContact OD2-NE 3.89Å; D546-R595 PolarHBondContact OD2-NE 2.92Å; D546-R595 IonicContact OD2-NH2 3.75Å; D546-R595 PolarHBondContact OD2-NH2 3.21Å; Y591-R595 VanDerWaalsContact O-CB 3.22Å; Y591-R595 WeakPolarHBondContact O-CB 3.16Å; Y591-R595 PolarHBondContact O-N 3.23Å; Q592-R595 PolarHBondContact O-N 3.34Å; E593-R595 VanDerWaalsContact C-N 3.33Å; E593-R595 PolarHBondContact O-N 3.07Å; R595-T597 VanDerWaalsContact C-N 3.32Å; R595-T597 PolarHBondContact O-N 3.23Å; R595-A598 PolarHBondContact O-N 3.43Å; R595-R599 WeakPolarHBondContact O-CG 3.48Å; R595-R599 PolarHBondContact O-N 3.05Å; R595-R599 VanDerWaalsContact O-N 3.11Å; R595-E658 IonicContact CZ-OE1 2.65Å; R595-E658 IonicContact NH1-OE1 2.94Å; R595-E658 PolarHBondContact NH1-OE1 3.38Å; R595-E658 IonicContact NH2-OE1 2.95Å; R595-E658 PolarHBondContact NH2-OE1 3.18Å |
| 596 | G | 81.9 | Confident | 71.6 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q592 E593 R599 S600 | Q592-G596 PolarHBondContact O-N 3.15Å; E593-G596 PolarHBondContact O-N 3.09Å; G596-R599 PolarHBondContact O-N 3.14Å; G596-S600 PolarHBondContact O-N 3.39Å; G596-S600 VanDerWaalsContact O-N 3.1Å; G596-S600 PolarHBondContact O-OG 3.29Å |
| 597 | T | 82.4 | Confident | 69.8 | Low | 81 Ų | 81 | 66.3 Ų | 66.3 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | E593 E594 R595 R599 S600 T601 | E593-T597 WeakPolarHBondContact O-CB 3.36Å; E593-T597 PolarHBondContact O-N 2.69Å; E593-T597 PolarHBondContact O-OG1 3.03Å; E594-T597 PolarHBondContact O-N 3.41Å; R595-T597 VanDerWaalsContact C-N 3.32Å; R595-T597 PolarHBondContact O-N 3.23Å; T597-R599 VanDerWaalsContact C-N 3.34Å; T597-R599 PolarHBondContact O-N 3.44Å; T597-S600 WeakPolarHBondContact CA-OG 3.23Å; T597-S600 PolarHBondContact O-N 2.87Å; T597-S600 PolarHBondContact O-OG 2.74Å; T597-T601 WeakPolarHBondContact O-CB 3.19Å; T597-T601 PolarHBondContact O-N 3.45Å; T597-T601 PolarHBondContact O-OG1 2.94Å |
| 598 | A | 77.1 | Confident | 67.8 | Low | 26 Ų | 26 | 68.6 Ų | 68.6 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A545 N549 E594 R595 T601 S602 | A545-A598 HydrophobicContact CB-CB 4.45Å; N549-A598 HydrophobicContact CB-CB 4.38Å; E594-A598 WeakPolarHBondContact O-CB 3.3Å; E594-A598 PolarHBondContact O-N 3.46Å; R595-A598 PolarHBondContact O-N 3.43Å; A598-T601 PolarHBondContact O-N 2.89Å; A598-S602 PolarHBondContact O-N 3.22Å; A598-S602 VanDerWaalsContact O-N 3.09Å; A598-S602 PolarHBondContact O-OG 2.85Å; A598-S602 VanDerWaalsContact O-OG 3.06Å |
| 599 | R | 79.2 | Confident | 66.1 | Low | 80 Ų | 80 | 71.3 Ų | 71.3 | 30% | 0.302 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.4 | -70.3 | 173.4 | 173.8 | -164 | -10.8 | 112.8 | A545 D546 R595 G596 T597 S602 A603 | A545-R599 HydrophobicContact CB-CG 4.04Å; D546-R599 IonicContact OD1-CZ 2.72Å; D546-R599 IonicContact OD1-NE 3.86Å; D546-R599 PolarHBondContact OD1-NE 2.61Å; D546-R599 IonicContact OD1-NH2 2.79Å; D546-R599 PolarHBondContact OD1-NH2 2.91Å; D546-R599 IonicContact OD2-CZ 3.69Å; D546-R599 IonicContact OD2-NE 2.74Å; D546-R599 IonicContact OD2-NH2 2.66Å; D546-R599 PolarHBondContact OD2-NH2 3.32Å; R595-R599 WeakPolarHBondContact O-CG 3.48Å; R595-R599 PolarHBondContact O-N 3.05Å; R595-R599 VanDerWaalsContact O-N 3.11Å; G596-R599 PolarHBondContact O-N 3.14Å; T597-R599 VanDerWaalsContact C-N 3.34Å; T597-R599 PolarHBondContact O-N 3.44Å; R599-S602 WeakPolarHBondContact CA-OG 2.78Å; R599-S602 PolarHBondContact O-OG 3.41Å; R599-A603 PolarHBondContact O-N 3.3Å |
| 600 | S | 71.6 | Confident | 64.4 | Low | 71 Ų | 71 | 69.6 Ų | 69.6 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.3 | -36.2 | 177.7 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | G596 T597 A603 | G596-S600 PolarHBondContact O-N 3.39Å; G596-S600 VanDerWaalsContact O-N 3.1Å; G596-S600 PolarHBondContact O-OG 3.29Å; T597-S600 WeakPolarHBondContact CA-OG 3.23Å; T597-S600 PolarHBondContact O-N 2.87Å; T597-S600 PolarHBondContact O-OG 2.74Å; S600-A603 PolarHBondContact O-N 3.47Å |
| 601 | T | 66.9 | Low | 62.5 | Low | 87 Ų | 87 | 69.3 Ų | 69.3 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | T597 A598 A603 H604 | T597-T601 WeakPolarHBondContact O-CB 3.19Å; T597-T601 PolarHBondContact O-N 3.45Å; T597-T601 PolarHBondContact O-OG1 2.94Å; A598-T601 PolarHBondContact O-N 2.89Å; T601-A603 PolarHBondContact O-N 3.09Å; T601-H604 PolarHBondContact O-N 2.67Å |
| 602 | S | 57.2 | Low | 60.9 | Low | 36 Ų | 36 | 71 Ų | 71 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.2 | 174.7 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | A598 R599 T613 | A598-S602 PolarHBondContact O-N 3.22Å; A598-S602 VanDerWaalsContact O-N 3.09Å; A598-S602 PolarHBondContact O-OG 2.85Å; A598-S602 VanDerWaalsContact O-OG 3.06Å; R599-S602 WeakPolarHBondContact CA-OG 2.78Å; R599-S602 PolarHBondContact O-OG 3.41Å; S602-T613 WeakPolarHBondContact O-CG2 2.95Å |
| 603 | A | 51.1 | Low | 59.1 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 3.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R599 S600 T601 | R599-A603 PolarHBondContact O-N 3.3Å; S600-A603 PolarHBondContact O-N 3.47Å; T601-A603 PolarHBondContact O-N 3.09Å |
| 604 | H | 41.6 | Very low | 57.6 | Low | 110 Ų | 110 | 71.7 Ų | 71.7 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | trans | -75.3 | 130.8 | -172.1 | -115.5 | -74.6 | 0 | 0 | 0 | 113.3 | T601 T606 D607 | T601-H604 PolarHBondContact O-N 2.67Å; H604-T606 PolarHBondContact O-N 2.82Å; H604-D607 PolarHBondContact O-N 3.02Å | ||
| 605 | P | 40.5 | Very low | 56.7 | Low | 114 Ų | 114 | 70.9 Ų | 70.9 | 74% | 0.74 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.1 | -173.7 | 24.2 | -34.3 | 0 | 0 | 0 | 115.7 | ||
| 606 | T | 37.8 | Very low | 56.1 | Low | 122 Ų | 122 | 75.4 Ų | 75.4 | 75% | 0.748 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.7 | -179.4 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | H604 S608 | H604-T606 PolarHBondContact O-N 2.82Å; T606-S608 VanDerWaalsContact C-N 3.34Å; T606-S608 PolarHBondContact O-N 3.29Å |
| 607 | D | 39.7 | Very low | 56.1 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | trans | -82.2 | 82.6 | 174.3 | -156.8 | -14 | 0 | 0 | 0 | 110.2 | H604 S609 I610 | H604-D607 PolarHBondContact O-N 3.02Å; D607-S609 PolarHBondContact O-N 3.1Å; D607-S609 PolarHBondContact OD1-N 3.36Å; D607-S609 PolarHBondContact OD1-OG 2.94Å; D607-I610 PolarHBondContact O-N 3.41Å; D607-I610 VanDerWaalsContact O-N 3.09Å | ||
| 608 | S | 37.9 | Very low | 56.4 | Low | 127 Ų | 127 | 72.6 Ų | 72.6 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -1.2 | 177 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | T606 | T606-S608 VanDerWaalsContact C-N 3.34Å; T606-S608 PolarHBondContact O-N 3.29Å |
| 609 | S | 43.3 | Very low | 57.2 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.9 | 174.5 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | D607 | D607-S609 PolarHBondContact O-N 3.1Å; D607-S609 PolarHBondContact OD1-N 3.36Å; D607-S609 PolarHBondContact OD1-OG 2.94Å |
| 610 | I | 48 | Very low | 58 | Low | 20 Ų | 20 | 69.1 Ų | 69.1 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | trans | -124.6 | 96.5 | -176.3 | -59.9 | 180 | 0 | 0 | 0 | 109.3 | D607 L612 T613 | D607-I610 PolarHBondContact O-N 3.41Å; D607-I610 VanDerWaalsContact O-N 3.09Å; I610-L612 HydrophobicContact CG2-CB 3.58Å; I610-L612 HydrophobicContact CG2-CD1 3.89Å; I610-L612 HydrophobicContact CG2-CG 4.29Å; I610-L612 PolarHBondContact O-N 3.01Å; I610-T613 HydrophobicContact CG2-CG2 4.17Å | ||
| 611 | A | 42.5 | Very low | 59.2 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 10 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 612 | L | 49.3 | Very low | 60.6 | Low | 35 Ų | 35 | 61.7 Ų | 61.7 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.8 | -173.1 | -72.8 | 135.9 | 0 | 0 | 0 | 113.6 | F237 L537 E541 I610 L614 H615 | F237-L612 HydrophobicContact CE2-CD1 4.32Å; F237-L612 HydrophobicContact CE2-CD2 4.03Å; F237-L612 HydrophobicContact CZ-CD1 4.32Å; F237-L612 HydrophobicContact CZ-CD2 4.33Å; L537-L612 HydrophobicContact CD2-CD2 3.74Å; E541-L612 HydrophobicContact CG-CB 4.17Å; E541-L612 WeakPolarHBondContact OE1-CB 3.45Å; I610-L612 HydrophobicContact CG2-CB 3.58Å; I610-L612 HydrophobicContact CG2-CD1 3.89Å; I610-L612 HydrophobicContact CG2-CG 4.29Å; I610-L612 PolarHBondContact O-N 3.01Å; L612-L614 PolarHBondContact O-N 2.87Å; L612-H615 PolarHBondContact O-CD2 3.23Å; L612-H615 PolarHBondContact O-N 2.91Å |
| 613 | T | 45.2 | Very low | 62.6 | Low | 38 Ų | 38 | 65.2 Ų | 65.2 | 23% | 0.233 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 11.8 | -173.9 | 58.2 | 0 | 0 | 0 | 0 | 115.9 | S602 I610 | S602-T613 WeakPolarHBondContact O-CG2 2.95Å; I610-T613 HydrophobicContact CG2-CG2 4.17Å |
| 614 | L | 51.2 | Low | 64.8 | Low | 156 Ų | 156 | 62.9 Ų | 62.9 | 82% | 0.817 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -2.7 | -175.7 | -79.5 | 159.7 | 0 | 0 | 0 | 113.7 | L612 | L612-L614 PolarHBondContact O-N 2.87Š|
| 615 | H | 63 | Low | 67.5 | Low | 50 Ų | 50 | 57.7 Ų | 57.7 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 127 | -172.6 | -59.6 | -58.2 | 0 | 0 | 0 | 112.3 | E419 L537 L612 | E419-H615 IonicContact OE1-CE1 3.73Å; E419-H615 PolarHBondContact OE1-CE1 3.4Å; L537-H615 HydrophobicContact CD1-CB 4.35Å; L612-H615 PolarHBondContact O-CD2 3.23Å; L612-H615 PolarHBondContact O-N 2.91Å |
| 616 | Q | 71.1 | Confident | 70.2 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 136.5 | 173.1 | -173.5 | 173.6 | -0.4 | 0 | 0 | 110.2 | L433 L618 | L433-Q616 VanDerWaalsContact CD1-OE1 3.23Å; Q616-L618 PolarHBondContact O-N 3.43Å |
| 617 | P | 81.1 | Confident | 73 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 132.8 | 178.1 | 27.4 | -35 | 0 | 0 | 0 | 110.6 | Y619 | P617-Y619 HydrophobicContact CB-CE2 4.08Å; P617-Y619 HydrophobicContact CG-CE2 4.28Å; P617-Y619 WeakPolarHBondContact CG-OH 3.44Å; P617-Y619 WeakPolarHBondContact O-CE2 3.14Å |
| 618 | L | 90 | Very high | 75.6 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | trans | -111.6 | 156.8 | 173.7 | -60.9 | 177.1 | 0 | 0 | 0 | 109.2 | L433 G507 G508 L510 Q616 | L433-L618 HydrophobicContact CB-CD2 4.19Å; G507-L618 CarbonylContact O-C 3.56Å; G507-L618 VanDerWaalsContact O-C 3.23Å; G507-L618 VanDerWaalsContact O-O 3.06Å; G508-L618 VanDerWaalsContact C-CB 3.42Å; G508-L618 WeakPolarHBondContact O-CD1 2.75Å; L510-L618 VanDerWaalsContact C-CD2 3.48Å; L510-L618 CarbonylContact O-C 3.59Å; L510-L618 VanDerWaalsContact O-CA 3.31Å; L510-L618 WeakPolarHBondContact O-CA 3.08Å; Q616-L618 PolarHBondContact O-N 3.43Å | ||
| 619 | Y | 93.8 | Very high | 78.1 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 13% | 0.125 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 156.9 | -168.2 | -58.7 | -83.1 | 0 | 0 | 0 | 112.1 | G507 L510 M512 P617 T654 | G507-Y619 CarbonylContact O-C 3.54Å; G507-Y619 WeakPolarHBondContact O-CA 3.18Å; G507-Y619 PolarHBondContact O-N 3.47Å; G507-Y619 VanDerWaalsContact O-N 3.07Å; L510-Y619 PolarHBondContact N-O 3.36Å; L510-Y619 PolarHBondContact O-N 2.94Å; M512-Y619 HydrophobicContact CB-CD2 4.42Å; M512-Y619 HydrophobicContact CB-CE2 4.37Å; M512-Y619 HydrophobicContact CE-CD1 4.07Å; M512-Y619 HydrophobicContact CE-CD2 3.65Å; M512-Y619 HydrophobicContact CE-CE1 3.91Å; M512-Y619 HydrophobicContact CE-CE2 3.49Å; M512-Y619 VanDerWaalsContact CE-CE2 3.49Å; M512-Y619 HydrophobicContact CE-CG 3.93Å; M512-Y619 HydrophobicContact SD-CD2 4.36Å; P617-Y619 HydrophobicContact CB-CE2 4.08Å; P617-Y619 HydrophobicContact CG-CE2 4.28Å; P617-Y619 WeakPolarHBondContact CG-OH 3.44Å; P617-Y619 WeakPolarHBondContact O-CE2 3.14Å; Y619-T654 HydrophobicContact CD1-CG2 4.33Å; Y619-T654 HydrophobicContact CE1-CG2 3.89Å |
| 620 | P | 95.5 | Very high | 80 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | trans | -64.4 | 147.1 | 173.2 | 24.7 | -32 | 0 | 0 | 0 | 111.5 | P505 I624 S653 F656 | P505-P620 HydrophobicContact CG-CB 4.33Å; P620-I624 HydrophobicContact CB-CD1 4.05Å; P620-I624 HydrophobicContact CG-CD1 3.62Å; P620-S653 WeakPolarHBondContact CD-O 3.4Å; P620-S653 PolarHBondContact O-OG 3.46Å; P620-F656 HydrophobicContact CG-CD2 3.94Å; P620-F656 HydrophobicContact CG-CG 4.41Å | ||
| 621 | P | 97 | Very high | 81.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -80 | 161.2 | -171.9 | 34.3 | -35.6 | 0 | 0 | 0 | 112.6 | A485 P505 L509 L510 I522 S524 | A485-P621 HydrophobicContact CB-CB 3.79Å; A485-P621 HydrophobicContact CB-CG 3.64Å; P505-P621 HydrophobicContact CB-CG 4.01Å; P505-P621 HydrophobicContact CG-CG 4.19Å; L509-P621 HydrophobicContact CD2-CB 3.94Å; L509-P621 HydrophobicContact CD2-CG 3.52Å; L510-P621 HydrophobicContact CD1-CB 3.71Å; L510-P621 HydrophobicContact CG-CB 4.45Å; I522-P621 HydrophobicContact CG2-CB 4.29Å; I522-P621 HydrophobicContact CG2-CG 4.45Å; S524-P621 WeakPolarHBondContact CB-O 3.41Å; S524-P621 PolarHBondContact OG-O 2.84Å | ||
| 622 | G | 96.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 69.6 | -167 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S518 I522 | S518-G622 WeakPolarHBondContact OG-CA 3.42Å; S518-G622 PolarHBondContact OG-N 3.19Å; I522-G622 CarbonylContact O-C 3.23Å; I522-G622 VanDerWaalsContact O-CA 3.23Å; I522-G622 WeakPolarHBondContact O-CA 3.47Å |
| 623 | R | 97.1 | Very high | 83.2 | Confident | 110 Ų | 110 | 44.2 Ų | 44.2 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.3 | 168.7 | -72.7 | -179.7 | -74.9 | 170.3 | -0.5 | 109.4 | K519 I522 T523 S524 W650 | K519-R623 HydrophobicContact CB-CG 3.88Å; K519-R623 HydrophobicContact CG-CG 4.03Å; K519-R623 WeakPolarHBondContact O-CG 3.4Å; K519-R623 PolarHBondContact O-NE 2.78Å; I522-R623 PolarHBondContact O-N 3.39Å; T523-R623 WeakPolarHBondContact CA-O 3.48Å; S524-R623 PolarHBondContact N-O 3.19Å; R623-W650 HydrophobicContact CB-CE3 4.3Å; R623-W650 HydrophobicContact CB-CZ3 3.78Å |
| 624 | I | 98 | Very high | 83.6 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.2 | -168.6 | -51.2 | 173.6 | 0 | 0 | 0 | 110.7 | S524 V526 P620 W650 A651 F656 | S524-I624 CarbonylContact O-C 3.37Å; S524-I624 WeakPolarHBondContact O-CA 3.46Å; V526-I624 HydrophobicContact CB-CG2 4.47Å; V526-I624 HydrophobicContact CG2-CG2 3.93Å; P620-I624 HydrophobicContact CB-CD1 4.05Å; P620-I624 HydrophobicContact CG-CD1 3.62Å; I624-W650 WeakPolarHBondContact O-CA 3.39Å; I624-A651 HydrophobicContact CB-CB 4.38Å; I624-A651 HydrophobicContact CG2-CB 4.35Å; I624-A651 PolarHBondContact O-N 3Å; I624-F656 HydrophobicContact CB-CE2 4.46Å; I624-F656 HydrophobicContact CD1-CD2 4.07Å; I624-F656 HydrophobicContact CD1-CE2 3.64Å; I624-F656 HydrophobicContact CG2-CE2 3.86Å; I624-F656 HydrophobicContact CG2-CZ 3.83Å |
| 625 | I | 97.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 111.4 | 165.9 | -58.3 | 175.5 | 0 | 0 | 0 | 107.6 | F300 F301 V304 T523 S524 V525 V526 A648 I649 W650 | F300-I625 HydrophobicContact CE1-CD1 4.14Å; F301-I625 HydrophobicContact CD2-CD1 4.48Å; F301-I625 HydrophobicContact CE2-CG2 4.23Å; V304-I625 HydrophobicContact CG2-CD1 4.25Å; T523-I625 HydrophobicContact CG2-CD1 3.87Å; T523-I625 HydrophobicContact CG2-CG1 4.23Å; S524-I625 PolarHBondContact O-N 2.68Å; V525-I625 CarbonylContact C-O 3.58Å; V525-I625 WeakPolarHBondContact CA-O 3.46Å; V525-I625 HydrophobicContact CG2-CB 4.48Å; V526-I625 PolarHBondContact N-O 2.93Å; I625-A648 HydrophobicContact CG2-CB 3.98Å; I625-I649 WeakPolarHBondContact CA-O 3.5Å; I625-W650 HydrophobicContact CD1-CH2 4.13Å; I625-W650 HydrophobicContact CD1-CZ3 4.32Å; I625-W650 HydrophobicContact CG1-CE3 4.03Å; I625-W650 HydrophobicContact CG1-CH2 3.78Å; I625-W650 HydrophobicContact CG1-CZ2 4.48Å; I625-W650 HydrophobicContact CG1-CZ3 3.51Å |
| 626 | H | 97.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.2 | 173.7 | -167.2 | 177.4 | 0 | 0 | 0 | 109.9 | V281 V526 G528 R534 V628 I649 A651 | V281-H626 WeakPolarHBondContact CG2-CE1 3.41Å; V281-H626 WeakPolarHBondContact CG2-ND1 3.48Å; V526-H626 CarbonylContact O-C 3.53Å; V526-H626 WeakPolarHBondContact O-CA 3.26Å; V526-H626 PolarHBondContact O-CD2 3.38Å; G528-H626 PolarHBondContact O-NE2 3.35Å; R534-H626 PolarHBondContact NH2-CE1 2.9Å; H626-V628 PolarHBondContact O-N 3.12Å; H626-I649 HydrophobicContact CB-CD1 4.48Å; H626-I649 HydrophobicContact CB-CG1 3.95Å; H626-I649 PolarHBondContact N-O 3.39Å; H626-I649 WeakPolarHBondContact O-CG1 3.28Å; H626-I649 PolarHBondContact O-N 2.62Å; H626-A651 HydrophobicContact CB-CB 3.81Å |
| 627 | I | 96.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 109.7 | 174.8 | -50.1 | 172.1 | 0 | 0 | 0 | 108.7 | V525 V526 L527 G528 Y646 Q647 A677 L678 V681 | V525-I627 HydrophobicContact CG1-CD1 3.87Å; V525-I627 HydrophobicContact CG1-CG1 4.29Å; V526-I627 PolarHBondContact O-N 3.09Å; L527-I627 HydrophobicContact CD1-CB 3.96Å; L527-I627 HydrophobicContact CD1-CG2 4Å; G528-I627 PolarHBondContact N-O 3.42Å; I627-Y646 HydrophobicContact CG2-CD1 3.9Å; I627-Q647 CarbonylContact C-O 3.56Å; I627-Q647 WeakPolarHBondContact CA-O 3.33Å; I627-A677 HydrophobicContact CD1-CB 4.27Å; I627-A677 HydrophobicContact CG2-CB 4.11Å; I627-L678 HydrophobicContact CD1-CB 4.44Å; I627-L678 HydrophobicContact CD1-CD2 3.4Å; I627-L678 VanDerWaalsContact CD1-CD2 3.4Å; I627-L678 HydrophobicContact CD1-CG 3.57Å; I627-L678 HydrophobicContact CG1-CD2 4.31Å; I627-V681 HydrophobicContact CG2-CG2 3.84Å |
| 628 | V | 94.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.3 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 111 | L278 V281 H626 Y646 Q647 I649 | L278-V628 HydrophobicContact CB-CB 3.82Å; L278-V628 HydrophobicContact CB-CG1 4.44Å; L278-V628 HydrophobicContact CB-CG2 3.91Å; L278-V628 HydrophobicContact CD1-CG2 3.97Å; V281-V628 HydrophobicContact CG2-CG1 4.02Å; H626-V628 PolarHBondContact O-N 3.12Å; V628-Y646 WeakPolarHBondContact O-CA 3.37Å; V628-Q647 HydrophobicContact CG2-CB 4.2Å; V628-Q647 PolarHBondContact N-O 3.32Å; V628-Q647 PolarHBondContact O-N 3.34Å; V628-I649 HydrophobicContact CG1-CD1 3.84Å; V628-I649 HydrophobicContact CG1-CG1 4.2Å; V628-I649 HydrophobicContact CG2-CG2 4.38Å |
| 629 | R | 89.9 | Confident | 78.8 | Confident | 38 Ų | 38 | 58 Ų | 58 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.3 | 179 | 62 | -178.6 | 172.8 | -134.9 | -26.2 | 112 | S279 P644 V645 Y646 D668 | S279-R629 PolarHBondContact OG-N 3.23Å; S279-R629 VanDerWaalsContact OG-N 3.12Å; R629-P644 HydrophobicContact CB-CB 4.36Å; R629-V645 CarbonylContact C-O 3.56Å; R629-V645 VanDerWaalsContact CA-O 3.27Å; R629-V645 WeakPolarHBondContact CA-O 3.44Å; R629-Y646 HydrophobicContact CB-CD1 4.25Å; R629-Y646 HydrophobicContact CB-CE1 4.23Å; R629-D668 IonicContact CZ-OD1 2.86Å; R629-D668 IonicContact CZ-OD2 3.51Å; R629-D668 IonicContact NH1-OD1 2.83Å; R629-D668 PolarHBondContact NH1-OD1 3.29Å; R629-D668 IonicContact NH1-OD2 3.93Å; R629-D668 IonicContact NH2-OD1 3.23Å; R629-D668 PolarHBondContact NH2-OD1 2.81Å; R629-D668 IonicContact NH2-OD2 2.84Å; R629-D668 PolarHBondContact NH2-OD2 3.23Å |
| 630 | H | 82.5 | Confident | 76.6 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 19% | 0.185 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.4 | 172.1 | -177.2 | 87.6 | 0 | 0 | 0 | 109.6 | E276 L278 E636 P644 V645 | E276-H630 IonicContact OE1-ND1 3.6Å; E276-H630 IonicContact OE2-CE1 3.33Å; E276-H630 IonicContact OE2-ND1 2.85Å; L278-H630 HydrophobicContact CD2-CB 3.74Å; H630-E636 IonicContact NE2-OE2 3.53Å; H630-P644 WeakPolarHBondContact O-CA 3.13Å; H630-V645 PolarHBondContact N-O 3.23Å; H630-V645 PolarHBondContact O-N 3.47Å |
| 631 | H | 77.6 | Confident | 74.5 | Confident | 118 Ų | 118 | 71.9 Ų | 71.9 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | trans | -107.5 | 106.9 | 174.4 | -67.5 | 75.6 | 0 | 0 | 0 | 107.6 | K633 | H631-K633 PolarHBondContact O-N 3.28Š| ||
| 632 | P | 66.2 | Low | 72.7 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | trans | -60.4 | 138.2 | -176 | 22 | -30.8 | 0 | 0 | 0 | 110.8 | ||||
| 633 | K | 63.4 | Low | 71.4 | Confident | 130 Ų | 130 | 87.2 Ų | 87.2 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | trans | -68.3 | 159.7 | 177.4 | -70.8 | 176.8 | -176.1 | 168.3 | 0 | 110.7 | H631 D635 E636 | H631-K633 PolarHBondContact O-N 3.28Å; K633-D635 PolarHBondContact O-N 3.5Å; K633-D635 VanDerWaalsContact O-N 3.14Å; K633-E636 HydrophobicContact CB-CG 4.3Å; K633-E636 PolarHBondContact N-OE2 3.06Å; K633-E636 PolarHBondContact O-N 3.14Å | ||
| 634 | P | 55.2 | Low | 70.5 | Confident | 109 Ų | 109 | 83.5 Ų | 83.5 | 71% | 0.708 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -52.3 | -36.5 | 177.6 | -24.6 | 33.7 | 0 | 0 | 0 | 113 | E636 | P634-E636 VanDerWaalsContact C-N 3.34Š|
| 635 | D | 55 | Low | 69.9 | Low | 158 Ų | 158 | 86.1 Ų | 86.1 | 85% | 0.845 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -81.4 | -12.9 | -175.7 | -49.5 | -34 | 0 | 0 | 0 | 113.4 | K633 | K633-D635 PolarHBondContact O-N 3.5Å; K633-D635 VanDerWaalsContact O-N 3.14Å |
| 636 | E | 53.5 | Low | 69.5 | Low | 109 Ų | 109 | 87.5 Ų | 87.5 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -95.7 | -2.1 | 179.4 | -69 | 170 | 167.2 | 0 | 0 | 112.3 | H630 K633 P634 V638 | H630-E636 IonicContact NE2-OE2 3.53Å; K633-E636 HydrophobicContact CB-CG 4.3Å; K633-E636 PolarHBondContact N-OE2 3.06Å; K633-E636 PolarHBondContact O-N 3.14Å; P634-E636 VanDerWaalsContact C-N 3.34Å; E636-V638 PolarHBondContact O-N 3Å |
| 637 | N | 46.4 | Very low | 69.3 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 31% | 0.31 | 45% | 0.45 | S | S | . | . | trans | -94.3 | 101.2 | -172.6 | -105.3 | -27.6 | 0 | 0 | 0 | 112.7 | L639 | N637-L639 VanDerWaalsContact C-N 3.29Å; N637-L639 PolarHBondContact OD1-O 2.96Å | ||
| 638 | V | 51.8 | Low | 69.2 | Low | 143 Ų | 143 | 91.1 Ų | 91.1 | 87% | 0.867 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -77.5 | -15.8 | 164.2 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | E636 | E636-V638 PolarHBondContact O-N 3Š|
| 639 | L | 47.4 | Very low | 69.2 | Low | 130 Ų | 130 | 91.2 Ų | 91.2 | 68% | 0.681 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -119.2 | 139.4 | 179.6 | -94.2 | 97.2 | 0 | 0 | 0 | 113.5 | N637 N641 | N637-L639 VanDerWaalsContact C-N 3.29Å; N637-L639 PolarHBondContact OD1-O 2.96Å; L639-N641 PolarHBondContact O-N 3.36Å |
| 640 | K | 47.3 | Very low | 69.5 | Low | 212 Ų | 212 | 92.8 Ų | 92.8 | 92% | 0.922 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -67.4 | 3.6 | -178.6 | -70.3 | -179.8 | 176.4 | 178.2 | 0 | 115.9 | ||
| 641 | N | 51.3 | Low | 70.1 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 61% | 0.61 | 45% | 0.454 | S | S | * | . | trans | -109.6 | 109.9 | -179.5 | -76.8 | 1.4 | 0 | 0 | 0 | 111 | L639 E643 | L639-N641 PolarHBondContact O-N 3.36Å; N641-E643 PolarHBondContact O-N 3.43Å | ||
| 642 | R | 60.5 | Low | 70.9 | Confident | 219 Ų | 219 | 90.7 Ų | 90.7 | 83% | 0.826 | 45% | 0.454 | S | S | * | . | trans | -74.1 | 41.8 | -180 | -62.8 | 179.1 | 173.6 | 173.3 | -2.9 | 113.4 | ||||
| 643 | E | 68.4 | Low | 72.1 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -79 | 136.1 | 178.5 | -67.9 | -165.2 | 151.9 | 0 | 0 | 111 | N641 | N641-E643 PolarHBondContact O-N 3.43Š|
| 644 | P | 78.9 | Confident | 73.4 | Confident | 32 Ų | 32 | 86.1 Ų | 86.1 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 140.2 | 177.1 | 24.9 | -30.3 | 0 | 0 | 0 | 111.3 | R629 H630 Y646 | R629-P644 HydrophobicContact CB-CB 4.36Å; H630-P644 WeakPolarHBondContact O-CA 3.13Å; P644-Y646 HydrophobicContact CB-CE2 4.29Å; P644-Y646 HydrophobicContact CG-CE2 3.89Å; P644-Y646 WeakPolarHBondContact O-CD2 3.49Å; P644-Y646 WeakPolarHBondContact O-CE2 3.12Å |
| 645 | V | 84.9 | Confident | 75.1 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 34% | 0.339 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.6 | 175.5 | -179 | 0 | 0 | 0 | 0 | 108.8 | R629 H630 | R629-V645 CarbonylContact C-O 3.56Å; R629-V645 VanDerWaalsContact CA-O 3.27Å; R629-V645 WeakPolarHBondContact CA-O 3.44Å; H630-V645 PolarHBondContact N-O 3.23Å; H630-V645 PolarHBondContact O-N 3.47Å |
| 646 | Y | 91.1 | Very high | 76.9 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.9 | -179.5 | -70.4 | -102.4 | 0 | 0 | 0 | 110.6 | L527 I627 V628 R629 P644 A677 K680 | L527-Y646 HydrophobicContact CD1-CE1 4.2Å; I627-Y646 HydrophobicContact CG2-CD1 3.9Å; V628-Y646 WeakPolarHBondContact O-CA 3.37Å; R629-Y646 HydrophobicContact CB-CD1 4.25Å; R629-Y646 HydrophobicContact CB-CE1 4.23Å; P644-Y646 HydrophobicContact CB-CE2 4.29Å; P644-Y646 HydrophobicContact CG-CE2 3.89Å; P644-Y646 WeakPolarHBondContact O-CD2 3.49Å; P644-Y646 WeakPolarHBondContact O-CE2 3.12Å; Y646-A677 HydrophobicContact CD1-CB 3.78Å; Y646-A677 HydrophobicContact CE1-CB 3.67Å; Y646-K680 HydrophobicContact CD2-CB 3.78Å; Y646-K680 HydrophobicContact CD2-CD 3.6Å; Y646-K680 HydrophobicContact CD2-CG 4.34Å; Y646-K680 HydrophobicContact CE2-CB 4.38Å; Y646-K680 HydrophobicContact CE2-CD 3.35Å; Y646-K680 HydrophobicContact CG-CB 4.07Å; Y646-K680 HydrophobicContact CG-CD 4.49Å |
| 647 | Q | 91.9 | Very high | 78.4 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.7 | 178 | -59.9 | 179.2 | 18.3 | 0 | 0 | 109.5 | I627 V628 | I627-Q647 CarbonylContact C-O 3.56Å; I627-Q647 WeakPolarHBondContact CA-O 3.33Å; V628-Q647 HydrophobicContact CG2-CB 4.2Å; V628-Q647 PolarHBondContact N-O 3.32Å; V628-Q647 PolarHBondContact O-N 3.34Å |
| 648 | A | 94.6 | Very high | 80.4 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L290 F301 I625 V681 | L290-A648 HydrophobicContact CB-CB 4.03Å; L290-A648 HydrophobicContact CD2-CB 4.18Å; L290-A648 PolarHBondContact N-O 2.66Å; F301-A648 HydrophobicContact CE2-CB 4.02Å; F301-A648 HydrophobicContact CZ-CB 4.37Å; I625-A648 HydrophobicContact CG2-CB 3.98Å; A648-V681 HydrophobicContact CB-CG1 4.2Å |
| 649 | I | 95.5 | Very high | 82.2 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.4 | 175.6 | 63.3 | 174.7 | 0 | 0 | 0 | 109.8 | V281 T287 Q288 F289 I625 H626 V628 | V281-I649 HydrophobicContact CB-CD1 4.32Å; V281-I649 HydrophobicContact CG1-CD1 3.79Å; V281-I649 HydrophobicContact CG2-CD1 4.37Å; T287-I649 HydrophobicContact CG2-CB 4.36Å; T287-I649 HydrophobicContact CG2-CD1 4.35Å; T287-I649 HydrophobicContact CG2-CG2 4.02Å; Q288-I649 WeakPolarHBondContact O-CA 3.46Å; F289-I649 HydrophobicContact CD1-CG2 3.44Å; F289-I649 VanDerWaalsContact CD1-CG2 3.44Å; F289-I649 HydrophobicContact CE1-CG2 3.57Å; F289-I649 HydrophobicContact CG-CG2 4.08Å; F289-I649 HydrophobicContact CZ-CG2 4.32Å; I625-I649 WeakPolarHBondContact CA-O 3.5Å; H626-I649 HydrophobicContact CB-CD1 4.48Å; H626-I649 HydrophobicContact CB-CG1 3.95Å; H626-I649 PolarHBondContact N-O 3.39Å; H626-I649 WeakPolarHBondContact O-CG1 3.28Å; H626-I649 PolarHBondContact O-N 2.62Å; V628-I649 HydrophobicContact CG1-CD1 3.84Å; V628-I649 HydrophobicContact CG1-CG1 4.2Å; V628-I649 HydrophobicContact CG2-CG2 4.38Å |
| 650 | W | 95.9 | Very high | 84.3 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 27% | 0.265 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.8 | 164.6 | -66.9 | 108.9 | 0 | 0 | 0 | 109.2 | Q288 L290 F300 R623 I624 I625 | Q288-W650 HydrophobicContact CB-CB 4.27Å; Q288-W650 PolarHBondContact O-N 3.27Å; L290-W650 HydrophobicContact CD1-CZ2 3.85Å; F300-W650 HydrophobicContact CE1-CH2 4.17Å; R623-W650 HydrophobicContact CB-CE3 4.3Å; R623-W650 HydrophobicContact CB-CZ3 3.78Å; I624-W650 WeakPolarHBondContact O-CA 3.39Å; I625-W650 HydrophobicContact CD1-CH2 4.13Å; I625-W650 HydrophobicContact CD1-CZ3 4.32Å; I625-W650 HydrophobicContact CG1-CE3 4.03Å; I625-W650 HydrophobicContact CG1-CH2 3.78Å; I625-W650 HydrophobicContact CG1-CZ2 4.48Å; I625-W650 HydrophobicContact CG1-CZ3 3.51Å |
| 651 | A | 95.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I624 H626 F656 | I624-A651 HydrophobicContact CB-CB 4.38Å; I624-A651 HydrophobicContact CG2-CB 4.35Å; I624-A651 PolarHBondContact O-N 3Å; H626-A651 HydrophobicContact CB-CB 3.81Å; A651-F656 HydrophobicContact CB-CE2 4.04Å; A651-F656 HydrophobicContact CB-CZ 4.08Å |
| 652 | D | 93.9 | Very high | 87.8 | Confident | 102 Ų | 102 | 46.7 Ų | 46.7 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | trans | -85.8 | 152.4 | 173.6 | -74 | -47.7 | 0 | 0 | 0 | 110.6 | T654 D655 | D652-T654 PolarHBondContact O-N 2.88Å; D652-T654 VanDerWaalsContact O-N 3.14Å; D652-D655 PolarHBondContact N-OD2 3.49Å; D652-D655 WeakPolarHBondContact O-CB 3.44Å; D652-D655 PolarHBondContact O-N 3.49Å | ||
| 653 | S | 91.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -62.6 | -22.9 | -178.6 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | V515 P620 | V515-S653 WeakPolarHBondContact CG1-OG 3.49Å; P620-S653 WeakPolarHBondContact CD-O 3.4Å; P620-S653 PolarHBondContact O-OG 3.46Å |
| 654 | T | 91.1 | Very high | 89.2 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -81.7 | -12.1 | 176.1 | 53 | 0 | 0 | 0 | 0 | 113.7 | M512 Y619 D652 F656 D657 | M512-T654 HydrophobicContact CE-CG2 3.9Å; Y619-T654 HydrophobicContact CD1-CG2 4.33Å; Y619-T654 HydrophobicContact CE1-CG2 3.89Å; D652-T654 PolarHBondContact O-N 2.88Å; D652-T654 VanDerWaalsContact O-N 3.14Å; T654-F656 PolarHBondContact O-N 3.05Å; T654-D657 PolarHBondContact O-N 3.21Å |
| 655 | D | 91.4 | Very high | 89.6 | Confident | 68 Ų | 68 | 32.4 Ų | 32.4 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -68.7 | -5.1 | 179.8 | -67.8 | -24 | 0 | 0 | 0 | 113.2 | R534 D652 | R534-D655 PolarHBondContact NH1-O 3.19Å; D652-D655 PolarHBondContact N-OD2 3.49Å; D652-D655 WeakPolarHBondContact O-CB 3.44Å; D652-D655 PolarHBondContact O-N 3.49Å |
| 656 | F | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -106.9 | 8.4 | -176.9 | -56.4 | -84.5 | 0 | 0 | 0 | 113.8 | V526 P533 R534 P620 I624 A651 T654 E658 | V526-F656 HydrophobicContact CB-CE1 3.89Å; V526-F656 HydrophobicContact CB-CZ 4.07Å; V526-F656 HydrophobicContact CG1-CD1 4.35Å; V526-F656 HydrophobicContact CG1-CE1 3.55Å; V526-F656 HydrophobicContact CG1-CZ 4.24Å; V526-F656 HydrophobicContact CG2-CE1 3.95Å; V526-F656 HydrophobicContact CG2-CZ 3.99Å; P533-F656 HydrophobicContact CB-CD1 3.88Å; P533-F656 HydrophobicContact CB-CE1 4.42Å; P533-F656 HydrophobicContact CB-CG 4.33Å; P533-F656 VanDerWaalsContact O-CB 3.25Å; P533-F656 WeakPolarHBondContact O-CB 3.34Å; R534-F656 VanDerWaalsContact CA-O 3.29Å; R534-F656 WeakPolarHBondContact CA-O 3.5Å; R534-F656 HydrophobicContact CG-CB 4.1Å; R534-F656 HydrophobicContact CG-CD1 4.04Å; P620-F656 HydrophobicContact CG-CD2 3.94Å; P620-F656 HydrophobicContact CG-CG 4.41Å; I624-F656 HydrophobicContact CB-CE2 4.46Å; I624-F656 HydrophobicContact CD1-CD2 4.07Å; I624-F656 HydrophobicContact CD1-CE2 3.64Å; I624-F656 HydrophobicContact CG2-CE2 3.86Å; I624-F656 HydrophobicContact CG2-CZ 3.83Å; A651-F656 HydrophobicContact CB-CE2 4.04Å; A651-F656 HydrophobicContact CB-CZ 4.08Å; T654-F656 PolarHBondContact O-N 3.05Å; F656-E658 VanDerWaalsContact C-N 3.25Å; F656-E658 PolarHBondContact O-N 2.83Å |
| 657 | D | 85.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 30.7 Ų | 30.7 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -70.9 | -14 | -178.3 | -72.5 | -29.4 | 0 | 0 | 0 | 115.1 | Q539 T654 | Q539-D657 VanDerWaalsContact CG-O 3.22Å; Q539-D657 WeakPolarHBondContact CG-O 3.42Å; Q539-D657 PolarHBondContact NE2-OD1 3.39Å; Q539-D657 VanDerWaalsContact NE2-OD1 3.13Å; T654-D657 PolarHBondContact O-N 3.21Å |
| 658 | E | 87.8 | Confident | 89.1 | Confident | 61 Ų | 61 | 27.6 Ų | 27.6 | 29% | 0.285 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -109.2 | 128.5 | 176.2 | -169.2 | -171.4 | -177.8 | 0 | 0 | 111.8 | Q259 R534 R595 F656 L660 | Q259-E658 PolarHBondContact NE2-OE1 2.94Å; R534-E658 WeakPolarHBondContact CD-O 3.39Å; R534-E658 PolarHBondContact NH1-O 3.32Å; R595-E658 IonicContact CZ-OE1 2.65Å; R595-E658 IonicContact NH1-OE1 2.94Å; R595-E658 PolarHBondContact NH1-OE1 3.38Å; R595-E658 IonicContact NH2-OE1 2.95Å; R595-E658 PolarHBondContact NH2-OE1 3.18Å; F656-E658 VanDerWaalsContact C-N 3.25Å; F656-E658 PolarHBondContact O-N 2.83Å; E658-L660 HydrophobicContact CG-CD2 4.41Å; E658-L660 PolarHBondContact O-N 3.31Å |
| 659 | V | 89.6 | Confident | 89 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -72.6 | 112.2 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 110 | Q259 V531 R534 Q539 M540 L543 I661 M665 | Q259-V659 PolarHBondContact NE2-O 3.37Å; V531-V659 HydrophobicContact CG2-CG1 4.12Å; R534-V659 WeakPolarHBondContact O-CG2 3.31Å; Q539-V659 HydrophobicContact CB-CG2 4.25Å; M540-V659 HydrophobicContact CE-CG2 3.57Å; L543-V659 HydrophobicContact CB-CG2 4.29Å; L543-V659 HydrophobicContact CD1-CB 4.34Å; L543-V659 HydrophobicContact CD2-CB 4.28Å; L543-V659 HydrophobicContact CD2-CG1 4.08Å; L543-V659 HydrophobicContact CD2-CG2 4.23Å; V659-I661 HydrophobicContact CG1-CD1 3.96Å; V659-M665 HydrophobicContact CG1-CE 4.46Å | ||
| 660 | L | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | trans | -88.8 | 113.3 | -179.7 | -61.9 | -179.9 | 0 | 0 | 0 | 111.3 | K529 E658 S662 | K529-L660 HydrophobicContact CB-CB 4.44Å; K529-L660 HydrophobicContact CD-CB 4.35Å; K529-L660 HydrophobicContact CG-CB 4.35Å; K529-L660 HydrophobicContact CG-CD1 4.17Å; E658-L660 HydrophobicContact CG-CD2 4.41Å; E658-L660 PolarHBondContact O-N 3.31Å; L660-S662 PolarHBondContact O-N 3.31Å | ||
| 661 | I | 88.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -77.6 | 118.7 | -176.1 | -54 | -51.7 | 0 | 0 | 0 | 110.9 | F227 L252 L255 R256 L543 V659 M665 | F227-I661 HydrophobicContact CD1-CG2 4.38Å; F227-I661 HydrophobicContact CE1-CG2 3.48Å; F227-I661 VanDerWaalsContact CE1-CG2 3.48Å; F227-I661 HydrophobicContact CZ-CG2 4.28Å; L252-I661 HydrophobicContact CB-CG2 4.37Å; L252-I661 HydrophobicContact CD2-CD1 3.74Å; L252-I661 HydrophobicContact CD2-CG1 4.28Å; L252-I661 HydrophobicContact CD2-CG2 4.38Å; L252-I661 WeakPolarHBondContact O-CG2 3.39Å; L255-I661 HydrophobicContact CD2-CD1 4.46Å; L255-I661 HydrophobicContact CD2-CG1 3.85Å; L255-I661 HydrophobicContact CG-CG1 4.05Å; R256-I661 HydrophobicContact CB-CB 4.02Å; R256-I661 HydrophobicContact CB-CG2 3.81Å; R256-I661 WeakPolarHBondContact CG-O 3.48Å; L543-I661 HydrophobicContact CD1-CD1 3.98Å; V659-I661 HydrophobicContact CG1-CD1 3.96Å; I661-M665 HydrophobicContact CD1-CE 4.37Å | ||
| 662 | S | 85.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | trans | -153.1 | 142.1 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | L660 V664 M665 | L660-S662 PolarHBondContact O-N 3.31Å; S662-V664 PolarHBondContact O-N 3.25Å; S662-V664 VanDerWaalsContact O-N 3.1Å; S662-V664 VanDerWaalsContact OG-CG2 3.32Å; S662-V664 WeakPolarHBondContact OG-CG2 3.4Å; S662-M665 PolarHBondContact N-SD 3.07Å; S662-M665 VanDerWaalsContact N-SD 3.37Å; S662-M665 WeakPolarHBondContact O-CG 3.32Å; S662-M665 PolarHBondContact O-N 3.07Å; S662-M665 VanDerWaalsContact O-N 3.16Å | ||
| 663 | P | 76.2 | Confident | 88.2 | Confident | 27 Ų | 27 | 27 Ų | 27 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.4 | 176.5 | 25.1 | -34 | 0 | 0 | 0 | 113.1 | S226 F227 | S226-P663 WeakPolarHBondContact CB-O 3.47Å; S226-P663 PolarHBondContact OG-O 3Å; S226-P663 VanDerWaalsContact OG-O 3.07Å; F227-P663 HydrophobicContact CE2-CB 3.87Å; F227-P663 HydrophobicContact CZ-CB 4.48Å |
| 664 | V | 81.8 | Confident | 88.4 | Confident | 28 Ų | 28 | 26.6 Ų | 26.6 | 17% | 0.17 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 4.2 | -178.9 | -63 | 0 | 0 | 0 | 0 | 113.3 | S662 L666 Q667 D668 | S662-V664 PolarHBondContact O-N 3.25Å; S662-V664 VanDerWaalsContact O-N 3.1Å; S662-V664 VanDerWaalsContact OG-CG2 3.32Å; S662-V664 WeakPolarHBondContact OG-CG2 3.4Å; V664-L666 VanDerWaalsContact C-N 3.25Å; V664-L666 PolarHBondContact O-N 3.5Å; V664-Q667 HydrophobicContact CB-CB 4.49Å; V664-Q667 PolarHBondContact O-N 3.44Å; V664-D668 WeakPolarHBondContact O-CB 3.39Å; V664-D668 PolarHBondContact O-N 3.36Å |
| 665 | M | 85.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.6 | -177.3 | 66.7 | -154.2 | -114.6 | 0 | 0 | 113.5 | I230 K529 D530 V531 V659 I661 S662 | I230-M665 HydrophobicContact CD1-CE 3.1Å; I230-M665 HydrophobicContact CD1-CG 3.85Å; I230-M665 HydrophobicContact CD1-SD 3.32Å; I230-M665 WeakPolarHBondContact CD1-SD 3.49Å; I230-M665 HydrophobicContact CG1-CE 3.66Å; I230-M665 HydrophobicContact CG1-SD 4.45Å; I230-M665 HydrophobicContact CG2-CE 4.25Å; K529-M665 VanDerWaalsContact O-CA 3.28Å; K529-M665 WeakPolarHBondContact O-CA 3.44Å; K529-M665 WeakPolarHBondContact O-CB 3.35Å; D530-M665 WeakPolarHBondContact CA-O 3.44Å; V531-M665 HydrophobicContact CB-CB 4.29Å; V531-M665 HydrophobicContact CB-CE 4Å; V531-M665 HydrophobicContact CB-CG 4.27Å; V531-M665 HydrophobicContact CG2-CE 3.6Å; V531-M665 PolarHBondContact N-O 3.31Å; V659-M665 HydrophobicContact CG1-CE 4.46Å; I661-M665 HydrophobicContact CD1-CE 4.37Å; S662-M665 PolarHBondContact N-SD 3.07Å; S662-M665 VanDerWaalsContact N-SD 3.37Å; S662-M665 WeakPolarHBondContact O-CG 3.32Å; S662-M665 PolarHBondContact O-N 3.07Å; S662-M665 VanDerWaalsContact O-N 3.16Å |
| 666 | L | 83 | Confident | 88.7 | Confident | 17 Ų | 17 | 22.9 Ų | 22.9 | 9% | 0.089 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -31.2 | 174.3 | -63.6 | -176.7 | 0 | 0 | 0 | 112.8 | D229 I230 M409 V531 V664 H669 | D229-L666 HydrophobicContact CB-CD1 3.87Å; I230-L666 HydrophobicContact CG1-CD1 4.35Å; I230-L666 HydrophobicContact CG1-CG 4.47Å; M409-L666 HydrophobicContact CE-CD2 3.46Å; M409-L666 VanDerWaalsContact CE-CD2 3.46Å; M409-L666 HydrophobicContact CG-CD2 4.24Å; M409-L666 HydrophobicContact SD-CD2 3.85Å; V531-L666 HydrophobicContact CG1-CD2 3.68Å; V664-L666 VanDerWaalsContact C-N 3.25Å; V664-L666 PolarHBondContact O-N 3.5Å; L666-H669 WeakPolarHBondContact O-CB 3.43Å; L666-H669 PolarHBondContact O-N 3.13Å |
| 667 | Q | 84.7 | Confident | 88.8 | Confident | 32 Ų | 32 | 22.9 Ų | 22.9 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -39.7 | 178 | -64.3 | -173.5 | -1.5 | 0 | 0 | 111.2 | R222 N223 V664 H669 M670 K673 | R222-Q667 PolarHBondContact O-NE2 2.88Å; N223-Q667 PolarHBondContact OD1-NE2 3.41Å; N223-Q667 PolarHBondContact OD1-OE1 3.04Å; N223-Q667 VanDerWaalsContact OD1-OE1 3.09Å; V664-Q667 HydrophobicContact CB-CB 4.49Å; V664-Q667 PolarHBondContact O-N 3.44Å; Q667-H669 PolarHBondContact O-N 2.92Å; Q667-H669 VanDerWaalsContact O-N 3.15Å; Q667-M670 WeakPolarHBondContact O-CB 3.45Å; Q667-M670 PolarHBondContact O-N 3.28Å; Q667-K673 WeakPolarHBondContact O-CB 3.27Å; Q667-K673 WeakPolarHBondContact O-CG 3.24Å |
| 668 | D | 91.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.8 | 174.9 | -72.4 | -10.7 | 0 | 0 | 0 | 110.9 | L527 K529 D530 R629 V664 | L527-D668 WeakPolarHBondContact CB-O 3.5Å; L527-D668 HydrophobicContact CD2-CB 4.33Å; L527-D668 WeakPolarHBondContact CD2-O 3.21Å; L527-D668 HydrophobicContact CG-CB 4.09Å; K529-D668 PolarHBondContact N-OD2 3.23Å; D530-D668 HydrophobicContact CB-CB 4.35Å; R629-D668 IonicContact CZ-OD1 2.86Å; R629-D668 IonicContact CZ-OD2 3.51Å; R629-D668 IonicContact NH1-OD1 2.83Å; R629-D668 PolarHBondContact NH1-OD1 3.29Å; R629-D668 IonicContact NH1-OD2 3.93Å; R629-D668 IonicContact NH2-OD1 3.23Å; R629-D668 PolarHBondContact NH2-OD1 2.81Å; R629-D668 IonicContact NH2-OD2 2.84Å; R629-D668 PolarHBondContact NH2-OD2 3.23Å; V664-D668 WeakPolarHBondContact O-CB 3.39Å; V664-D668 PolarHBondContact O-N 3.36Å |
| 669 | H | 91.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -16.8 | 172.2 | -168.4 | 54 | 0 | 0 | 0 | 114.9 | H477 S478 D530 V532 L666 Q667 | H477-H669 AromaticContact CE1-CE1 3.97Å; H477-H669 AromaticContact CE1-NE2 3.82Å; H477-H669 PolarHBondContact CE1-O 3.06Å; H477-H669 PolarHBondContact NE2-O 2.83Å; S478-H669 VanDerWaalsContact CB-CE1 3.46Å; S478-H669 WeakPolarHBondContact CB-CE1 3.09Å; S478-H669 WeakPolarHBondContact CB-NE2 3.38Å; S478-H669 PolarHBondContact OG-CE1 3.39Å; S478-H669 VanDerWaalsContact OG-CE1 3.28Å; S478-H669 PolarHBondContact OG-NE2 3.15Å; D530-H669 VanDerWaalsContact OD1-CB 3.23Å; D530-H669 WeakPolarHBondContact OD1-CB 3.38Å; D530-H669 IonicContact OD1-CG 2.79Å; D530-H669 IonicContact OD1-ND1 3.53Å; D530-H669 PolarHBondContact OD1-ND1 3.06Å; D530-H669 WeakPolarHBondContact OD2-CA 3.33Å; D530-H669 IonicContact OD2-CG 2.74Å; D530-H669 IonicContact OD2-ND1 3.31Å; D530-H669 PolarHBondContact OD2-ND1 3.3Å; V532-H669 WeakPolarHBondContact CB-CE1 3.25Å; V532-H669 WeakPolarHBondContact CB-ND1 3.35Å; V532-H669 WeakPolarHBondContact CG2-CE1 3.48Å; V532-H669 WeakPolarHBondContact CG2-ND1 3.4Å; V532-H669 WeakPolarHBondContact CG2-NE2 3.42Å; L666-H669 WeakPolarHBondContact O-CB 3.43Å; L666-H669 PolarHBondContact O-N 3.13Å; Q667-H669 PolarHBondContact O-N 2.92Å; Q667-H669 VanDerWaalsContact O-N 3.15Å |
| 670 | M | 89.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 24.7 Ų | 24.7 | 30% | 0.3 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -77 | 138.7 | -172 | -61.9 | -73.1 | 80.3 | 0 | 0 | 111.7 | Q667 D672 K673 V674 | Q667-M670 WeakPolarHBondContact O-CB 3.45Å; Q667-M670 PolarHBondContact O-N 3.28Å; M670-D672 WeakPolarHBondContact CB-OD1 3.46Å; M670-D672 PolarHBondContact O-N 3.27Å; M670-K673 HydrophobicContact CB-CG 4.17Å; M670-K673 WeakPolarHBondContact O-CA 3.32Å; M670-K673 WeakPolarHBondContact O-CB 3.18Å; M670-K673 PolarHBondContact O-N 3.45Å; M670-V674 PolarHBondContact O-N 3.09Å |
| 671 | P | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | -173.1 | 23.8 | -33.6 | 0 | 0 | 0 | 112.4 | M308 Q312 Y315 M319 K673 V674 L675 | M308-P671 HydrophobicContact CE-CB 3.4Å; M308-P671 WeakPolarHBondContact CE-O 3.47Å; Q312-P671 HydrophobicContact CG-CB 4.49Å; Y315-P671 HydrophobicContact CD2-CG 4.46Å; Y315-P671 HydrophobicContact CE2-CG 4.33Å; M319-P671 HydrophobicContact CE-CG 3.54Å; M319-P671 HydrophobicContact CG-CG 4.28Å; M319-P671 HydrophobicContact SD-CG 3.76Å; P671-K673 VanDerWaalsContact C-N 3.3Å; P671-K673 PolarHBondContact O-N 3.03Å; P671-V674 PolarHBondContact O-N 3.35Å; P671-L675 WeakPolarHBondContact O-CB 3.41Å; P671-L675 PolarHBondContact O-N 2.91Å |
| 672 | D | 90.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 25.4 Ų | 25.4 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 174.8 | 74.1 | -65.9 | 0 | 0 | 0 | 112.5 | I323 M670 A676 | I323-D672 HydrophobicContact CD1-CB 3.8Å; I323-D672 HydrophobicContact CG1-CB 3.62Å; M670-D672 WeakPolarHBondContact CB-OD1 3.46Å; M670-D672 PolarHBondContact O-N 3.27Å; D672-A676 WeakPolarHBondContact O-CB 3.46Å; D672-A676 PolarHBondContact O-N 3.02Å |
| 673 | K | 92.6 | Very high | 89.7 | Confident | 88 Ų | 88 | 27.1 Ų | 27.1 | 38% | 0.383 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -74.1 | -41.2 | 177.7 | -59.6 | -52.1 | -178.7 | -164.7 | 0 | 111.5 | L527 Q667 M670 P671 A676 A677 | L527-K673 HydrophobicContact CD2-CB 3.91Å; L527-K673 WeakPolarHBondContact CD2-O 3.37Å; Q667-K673 WeakPolarHBondContact O-CB 3.27Å; Q667-K673 WeakPolarHBondContact O-CG 3.24Å; M670-K673 HydrophobicContact CB-CG 4.17Å; M670-K673 WeakPolarHBondContact O-CA 3.32Å; M670-K673 WeakPolarHBondContact O-CB 3.18Å; M670-K673 PolarHBondContact O-N 3.45Å; P671-K673 VanDerWaalsContact C-N 3.3Å; P671-K673 PolarHBondContact O-N 3.03Å; K673-A676 PolarHBondContact O-N 3.01Å; K673-A677 VanDerWaalsContact O-CB 3.27Å; K673-A677 WeakPolarHBondContact O-CB 3.45Å; K673-A677 PolarHBondContact O-N 3.18Å |
| 674 | V | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -51.7 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | M308 Y503 V525 L527 M670 P671 A676 A677 L678 | M308-V674 HydrophobicContact CE-CB 4.22Å; M308-V674 HydrophobicContact CE-CG1 4.36Å; M308-V674 HydrophobicContact SD-CB 4.47Å; M308-V674 HydrophobicContact SD-CG1 3.98Å; Y503-V674 HydrophobicContact CD1-CG1 4.23Å; V525-V674 HydrophobicContact CG1-CG1 4.22Å; L527-V674 HydrophobicContact CB-CG2 4.16Å; L527-V674 HydrophobicContact CD2-CG2 4.38Å; M670-V674 PolarHBondContact O-N 3.09Å; P671-V674 PolarHBondContact O-N 3.35Å; V674-A676 PolarHBondContact O-N 3.32Å; V674-A677 PolarHBondContact O-N 2.78Å; V674-L678 HydrophobicContact CG1-CD1 4.17Å; V674-L678 WeakPolarHBondContact O-CG 3.42Å; V674-L678 PolarHBondContact O-N 3.27Å |
| 675 | L | 94.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 178.6 | -178.7 | 62.1 | 0 | 0 | 0 | 112.5 | I305 M308 Y309 P671 A677 L678 K679 | I305-L675 HydrophobicContact CG2-CD1 4.21Å; M308-L675 HydrophobicContact CB-CD1 4.04Å; M308-L675 HydrophobicContact CG-CB 3.88Å; M308-L675 HydrophobicContact CG-CD1 3.91Å; M308-L675 HydrophobicContact CG-CG 4.42Å; Y309-L675 HydrophobicContact CD1-CD2 3.92Å; Y309-L675 HydrophobicContact CE1-CD1 4.5Å; Y309-L675 HydrophobicContact CE1-CD2 3.59Å; Y309-L675 HydrophobicContact CE2-CD1 4.22Å; P671-L675 WeakPolarHBondContact O-CB 3.41Å; P671-L675 PolarHBondContact O-N 2.91Å; L675-A677 VanDerWaalsContact C-N 3.32Å; L675-A677 PolarHBondContact O-N 3.4Å; L675-L678 PolarHBondContact O-N 2.95Å; L675-K679 HydrophobicContact CG-CD 4.5Å; L675-K679 WeakPolarHBondContact O-CG 3.35Å; L675-K679 PolarHBondContact O-N 3.45Å; L675-K679 VanDerWaalsContact O-N 3.09Å |
| 676 | A | 93.7 | Very high | 88.4 | Confident | 42 Ų | 42 | 32 Ų | 32 | 35% | 0.347 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D672 K673 V674 K680 | D672-A676 WeakPolarHBondContact O-CB 3.46Å; D672-A676 PolarHBondContact O-N 3.02Å; K673-A676 PolarHBondContact O-N 3.01Å; V674-A676 PolarHBondContact O-N 3.32Å; A676-K680 VanDerWaalsContact O-CG 3.31Å; A676-K680 WeakPolarHBondContact O-CG 2.92Å; A676-K680 PolarHBondContact O-N 3.24Å |
| 677 | A | 94.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L527 I627 Y646 K673 V674 L675 K679 K680 V681 | L527-A677 HydrophobicContact CD1-CB 3.43Å; L527-A677 VanDerWaalsContact CD1-CB 3.43Å; L527-A677 HydrophobicContact CD2-CB 3.9Å; L527-A677 HydrophobicContact CG-CB 4.31Å; I627-A677 HydrophobicContact CD1-CB 4.27Å; I627-A677 HydrophobicContact CG2-CB 4.11Å; Y646-A677 HydrophobicContact CD1-CB 3.78Å; Y646-A677 HydrophobicContact CE1-CB 3.67Å; K673-A677 VanDerWaalsContact O-CB 3.27Å; K673-A677 WeakPolarHBondContact O-CB 3.45Å; K673-A677 PolarHBondContact O-N 3.18Å; V674-A677 PolarHBondContact O-N 2.78Å; L675-A677 VanDerWaalsContact C-N 3.32Å; L675-A677 PolarHBondContact O-N 3.4Å; A677-K679 VanDerWaalsContact C-N 3.34Å; A677-K679 PolarHBondContact O-N 3.11Å; A677-K680 WeakPolarHBondContact O-CB 3.49Å; A677-K680 PolarHBondContact O-N 3.1Å; A677-K680 VanDerWaalsContact O-N 3.09Å; A677-V681 WeakPolarHBondContact O-CG2 3.42Å; A677-V681 PolarHBondContact O-N 3.18Å |
| 678 | L | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 174.9 | -73.5 | 167.5 | 0 | 0 | 0 | 111.6 | F301 V304 I305 M308 Y503 V525 I627 V674 L675 K680 V681 V682 | F301-L678 HydrophobicContact CE1-CD2 4.22Å; F301-L678 HydrophobicContact CE2-CD2 3.9Å; F301-L678 HydrophobicContact CZ-CD2 3.53Å; V304-L678 HydrophobicContact CG1-CD1 4.44Å; V304-L678 HydrophobicContact CG1-CD2 4.1Å; I305-L678 HydrophobicContact CD1-CB 4.44Å; I305-L678 HydrophobicContact CG1-CB 3.77Å; M308-L678 HydrophobicContact CB-CD1 4.19Å; M308-L678 HydrophobicContact CG-CD1 4.22Å; Y503-L678 HydrophobicContact CE1-CD1 4.17Å; V525-L678 HydrophobicContact CG1-CD2 4.1Å; I627-L678 HydrophobicContact CD1-CB 4.44Å; I627-L678 HydrophobicContact CD1-CD2 3.4Å; I627-L678 VanDerWaalsContact CD1-CD2 3.4Å; I627-L678 HydrophobicContact CD1-CG 3.57Å; I627-L678 HydrophobicContact CG1-CD2 4.31Å; V674-L678 HydrophobicContact CG1-CD1 4.17Å; V674-L678 WeakPolarHBondContact O-CG 3.42Å; V674-L678 PolarHBondContact O-N 3.27Å; L675-L678 PolarHBondContact O-N 2.95Å; L678-K680 VanDerWaalsContact C-N 3.31Å; L678-K680 PolarHBondContact O-N 3.04Å; L678-V681 WeakPolarHBondContact O-CB 3.48Å; L678-V681 PolarHBondContact O-N 3.4Å; L678-V682 PolarHBondContact O-N 3Å |
| 679 | K | 94.3 | Very high | 85 | Confident | 90 Ų | 90 | 45.1 Ų | 45.1 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -37.6 | 176.1 | -72 | 176.7 | 178 | 178.1 | 0 | 112.8 | I305 Y309 L675 A677 V681 V682 S683 | I305-K679 HydrophobicContact CG2-CG 4.46Å; Y309-K679 WeakPolarHBondContact OH-CE 3.27Å; Y309-K679 PolarHBondContact OH-NZ 3.44Å; L675-K679 HydrophobicContact CG-CD 4.5Å; L675-K679 WeakPolarHBondContact O-CG 3.35Å; L675-K679 PolarHBondContact O-N 3.45Å; L675-K679 VanDerWaalsContact O-N 3.09Å; A677-K679 VanDerWaalsContact C-N 3.34Å; A677-K679 PolarHBondContact O-N 3.11Å; K679-V681 VanDerWaalsContact C-N 3.34Å; K679-V682 PolarHBondContact O-N 3.45Å; K679-S683 PolarHBondContact O-N 3.49Å |
| 680 | K | 92.5 | Very high | 83.3 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.3 | -80 | -177.8 | -179.8 | -167.7 | 0 | 112 | Y646 A676 A677 L678 V682 S683 C684 | Y646-K680 HydrophobicContact CD2-CB 3.78Å; Y646-K680 HydrophobicContact CD2-CD 3.6Å; Y646-K680 HydrophobicContact CD2-CG 4.34Å; Y646-K680 HydrophobicContact CE2-CB 4.38Å; Y646-K680 HydrophobicContact CE2-CD 3.35Å; Y646-K680 HydrophobicContact CG-CB 4.07Å; Y646-K680 HydrophobicContact CG-CD 4.49Å; A676-K680 VanDerWaalsContact O-CG 3.31Å; A676-K680 WeakPolarHBondContact O-CG 2.92Å; A676-K680 PolarHBondContact O-N 3.24Å; A677-K680 WeakPolarHBondContact O-CB 3.49Å; A677-K680 PolarHBondContact O-N 3.1Å; A677-K680 VanDerWaalsContact O-N 3.09Å; L678-K680 VanDerWaalsContact C-N 3.31Å; L678-K680 PolarHBondContact O-N 3.04Å; K680-V682 VanDerWaalsContact C-N 3.31Å; K680-V682 PolarHBondContact O-N 2.96Å; K680-S683 WeakPolarHBondContact CA-OG 3.47Å; K680-S683 PolarHBondContact O-N 2.9Å; K680-S683 PolarHBondContact O-OG 3.1Å; K680-C684 PolarHBondContact O-N 3.36Å; K680-C684 PolarHBondContact O-SG 2.96Å; K680-C684 VanDerWaalsContact O-SG 3.38Å |
| 681 | V | 91.5 | Very high | 81.7 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | L292 F301 I627 A648 A677 L678 K679 C684 R685 | L292-V681 HydrophobicContact CD1-CG1 3.41Å; L292-V681 VanDerWaalsContact CD1-CG1 3.41Å; F301-V681 HydrophobicContact CE1-CB 4.01Å; F301-V681 HydrophobicContact CE1-CG1 3.99Å; F301-V681 HydrophobicContact CZ-CB 3.98Å; F301-V681 HydrophobicContact CZ-CG1 3.89Å; F301-V681 HydrophobicContact CZ-CG2 4.36Å; I627-V681 HydrophobicContact CG2-CG2 3.84Å; A648-V681 HydrophobicContact CB-CG1 4.2Å; A677-V681 WeakPolarHBondContact O-CG2 3.42Å; A677-V681 PolarHBondContact O-N 3.18Å; L678-V681 WeakPolarHBondContact O-CB 3.48Å; L678-V681 PolarHBondContact O-N 3.4Å; K679-V681 VanDerWaalsContact C-N 3.34Å; V681-C684 PolarHBondContact O-N 3.47Å; V681-R685 PolarHBondContact O-N 3.28Å |
| 682 | V | 89.5 | Confident | 79.3 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | Y298 F301 I305 L678 K679 K680 C684 R685 D686 | Y298-V682 HydrophobicContact CE2-CG1 3.98Å; Y298-V682 HydrophobicContact CE2-CG2 4.39Å; F301-V682 HydrophobicContact CD1-CG2 3.78Å; F301-V682 HydrophobicContact CE1-CG2 3.88Å; I305-V682 HydrophobicContact CD1-CG2 3.58Å; L678-V682 PolarHBondContact O-N 3Å; K679-V682 PolarHBondContact O-N 3.45Å; K680-V682 VanDerWaalsContact C-N 3.31Å; K680-V682 PolarHBondContact O-N 2.96Å; V682-C684 VanDerWaalsContact C-N 3.26Å; V682-C684 PolarHBondContact O-N 3.28Å; V682-R685 WeakPolarHBondContact O-CB 3.45Å; V682-R685 PolarHBondContact O-N 2.86Å; V682-R685 VanDerWaalsContact O-N 3.08Å; V682-D686 PolarHBondContact O-N 2.97Å; V682-D686 VanDerWaalsContact O-N 3.14Å |
| 683 | S | 83.5 | Confident | 77.2 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -32.6 | -178.7 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | K679 K680 D686 R687 | K679-S683 PolarHBondContact O-N 3.49Å; K680-S683 WeakPolarHBondContact CA-OG 3.47Å; K680-S683 PolarHBondContact O-N 2.9Å; K680-S683 PolarHBondContact O-OG 3.1Å; S683-D686 PolarHBondContact O-N 3.25Å; S683-R687 WeakPolarHBondContact O-CG 3.45Å; S683-R687 PolarHBondContact O-N 3Å; S683-R687 VanDerWaalsContact O-N 3.11Å |
| 684 | C | 72.7 | Confident | 74.9 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.9 | -77.4 | 0 | 0 | 0 | 0 | 110.7 | K680 V681 V682 R687 T688 | K680-C684 PolarHBondContact O-N 3.36Å; K680-C684 PolarHBondContact O-SG 2.96Å; K680-C684 VanDerWaalsContact O-SG 3.38Å; V681-C684 PolarHBondContact O-N 3.47Å; V682-C684 VanDerWaalsContact C-N 3.26Å; V682-C684 PolarHBondContact O-N 3.28Å; C684-R687 PolarHBondContact O-N 3.1Å; C684-T688 PolarHBondContact O-N 3.19Å; C684-T688 PolarHBondContact O-OG1 3.17Å |
| 685 | R | 72.5 | Confident | 72.2 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 173.2 | -178.1 | -157.9 | 174.5 | -162.7 | 6.1 | 111.3 | L292 V681 V682 R687 T688 V689 | L292-R685 WeakPolarHBondContact O-CD 3.42Å; L292-R685 PolarHBondContact O-NE 3.29Å; L292-R685 PolarHBondContact O-NH1 3.4Å; L292-R685 PolarHBondContact O-NH2 3.19Å; V681-R685 PolarHBondContact O-N 3.28Å; V682-R685 WeakPolarHBondContact O-CB 3.45Å; V682-R685 PolarHBondContact O-N 2.86Å; V682-R685 VanDerWaalsContact O-N 3.08Å; R685-R687 PolarHBondContact O-N 3.12Å; R685-T688 PolarHBondContact O-N 3.03Å; R685-V689 HydrophobicContact CG-CG2 4.18Å; R685-V689 WeakPolarHBondContact O-CG2 3.45Å; R685-V689 PolarHBondContact O-N 3.46Å |
| 686 | D | 70.4 | Confident | 69.5 | Low | 68 Ų | 68 | 75.3 Ų | 75.3 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -36.5 | -176.5 | -69.4 | -18.8 | 0 | 0 | 0 | 112.2 | V682 S683 K690 | V682-D686 PolarHBondContact O-N 2.97Å; V682-D686 VanDerWaalsContact O-N 3.14Å; S683-D686 PolarHBondContact O-N 3.25Å; D686-K690 WeakPolarHBondContact O-CB 3.42Å; D686-K690 VanDerWaalsContact O-CG 3.22Å; D686-K690 WeakPolarHBondContact O-CG 3.37Å; D686-K690 PolarHBondContact O-N 3.45Å |
| 687 | R | 65.2 | Low | 66.9 | Low | 167 Ų | 167 | 82.6 Ų | 82.6 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.8 | -44.9 | 173.4 | -71.6 | 179.8 | -175.4 | -172.1 | 4.5 | 111.9 | S683 C684 R685 K690 A691 | S683-R687 WeakPolarHBondContact O-CG 3.45Å; S683-R687 PolarHBondContact O-N 3Å; S683-R687 VanDerWaalsContact O-N 3.11Å; C684-R687 PolarHBondContact O-N 3.1Å; R685-R687 PolarHBondContact O-N 3.12Å; R687-K690 PolarHBondContact O-N 3.33Å; R687-A691 WeakPolarHBondContact O-CB 3.47Å; R687-A691 PolarHBondContact O-N 2.9Å |
| 688 | T | 61.8 | Low | 64.3 | Low | 98 Ų | 98 | 87.3 Ų | 87.3 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 178 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | C684 R685 A691 C692 | C684-T688 PolarHBondContact O-N 3.19Å; C684-T688 PolarHBondContact O-OG1 3.17Å; R685-T688 PolarHBondContact O-N 3.03Å; T688-A691 PolarHBondContact O-N 3.4Å; T688-C692 WeakPolarHBondContact O-CB 3.47Å; T688-C692 PolarHBondContact O-N 2.91Å |
| 689 | V | 61.1 | Low | 61.7 | Low | 64 Ų | 64 | 92.3 Ų | 92.3 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | R685 A691 C692 T693 | R685-V689 HydrophobicContact CG-CG2 4.18Å; R685-V689 WeakPolarHBondContact O-CG2 3.45Å; R685-V689 PolarHBondContact O-N 3.46Å; V689-A691 PolarHBondContact O-N 3.46Å; V689-C692 PolarHBondContact O-N 3.34Å; V689-T693 WeakPolarHBondContact O-CB 3.47Å; V689-T693 PolarHBondContact O-N 2.99Å; V689-T693 PolarHBondContact O-OG1 2.73Å |
| 690 | K | 56.2 | Low | 58.9 | Low | 148 Ų | 148 | 94.1 Ų | 94.1 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 176.5 | -75.7 | 174.7 | -177.5 | 180 | 0 | 112.5 | D686 R687 T693 T694 | D686-K690 WeakPolarHBondContact O-CB 3.42Å; D686-K690 VanDerWaalsContact O-CG 3.22Å; D686-K690 WeakPolarHBondContact O-CG 3.37Å; D686-K690 PolarHBondContact O-N 3.45Å; R687-K690 PolarHBondContact O-N 3.33Å; K690-T693 PolarHBondContact O-N 3.35Å; K690-T694 WeakPolarHBondContact O-CB 3.47Å; K690-T694 PolarHBondContact O-N 3.19Å; K690-T694 PolarHBondContact O-OG1 3Å |
| 691 | A | 55.6 | Low | 56.3 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R687 T688 V689 T693 T694 R695 | R687-A691 WeakPolarHBondContact O-CB 3.47Å; R687-A691 PolarHBondContact O-N 2.9Å; T688-A691 PolarHBondContact O-N 3.4Å; V689-A691 PolarHBondContact O-N 3.46Å; A691-T693 PolarHBondContact O-N 2.87Å; A691-T694 PolarHBondContact O-N 3.39Å; A691-R695 WeakPolarHBondContact O-CB 3.39Å; A691-R695 PolarHBondContact O-N 3.02Å |
| 692 | C | 42.4 | Very low | 53.7 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 177.6 | -161.8 | 0 | 0 | 0 | 0 | 112.2 | T688 V689 R695 R696 | T688-C692 WeakPolarHBondContact O-CB 3.47Å; T688-C692 PolarHBondContact O-N 2.91Å; V689-C692 PolarHBondContact O-N 3.34Å; C692-R695 PolarHBondContact O-N 2.93Å; C692-R696 PolarHBondContact O-N 3.22Å |
| 693 | T | 44.7 | Very low | 51.1 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 176.9 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | V689 K690 A691 R697 | V689-T693 WeakPolarHBondContact O-CB 3.47Å; V689-T693 PolarHBondContact O-N 2.99Å; V689-T693 PolarHBondContact O-OG1 2.73Å; K690-T693 PolarHBondContact O-N 3.35Å; A691-T693 PolarHBondContact O-N 2.87Å; T693-R697 WeakPolarHBondContact O-CB 3.29Å; T693-R697 PolarHBondContact O-N 3.29Å |
| 694 | T | 43.8 | Very low | 48.5 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -37.1 | 177 | -49 | 0 | 0 | 0 | 0 | 111.2 | K690 A691 R697 N698 | K690-T694 WeakPolarHBondContact O-CB 3.47Å; K690-T694 PolarHBondContact O-N 3.19Å; K690-T694 PolarHBondContact O-OG1 3Å; A691-T694 PolarHBondContact O-N 3.39Å; T694-R697 PolarHBondContact O-N 3Å; T694-N698 PolarHBondContact O-N 3.32Å |
| 695 | R | 39.4 | Very low | 46.3 | Very low | 190 Ų | 190 | 116.2 Ų | 116.2 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.3 | -45.9 | 175.8 | -145.1 | 175.1 | -169.6 | -178.2 | 2.2 | 111.9 | A691 C692 R697 N698 D699 | A691-R695 WeakPolarHBondContact O-CB 3.39Å; A691-R695 PolarHBondContact O-N 3.02Å; C692-R695 PolarHBondContact O-N 2.93Å; R695-R697 VanDerWaalsContact C-N 3.27Å; R695-R697 PolarHBondContact O-N 3.41Å; R695-N698 PolarHBondContact O-N 2.9Å; R695-D699 VanDerWaalsContact O-CG 3.3Å; R695-D699 PolarHBondContact O-N 2.79Å |
| 696 | R | 38.4 | Very low | 44.2 | Very low | 183 Ų | 183 | 118.6 Ų | 118.6 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.4 | -33.4 | 171.7 | -89.3 | -174.6 | 173.2 | -175.9 | -1.7 | 113.3 | C692 N700 | C692-R696 PolarHBondContact O-N 3.22Å; R696-N700 WeakPolarHBondContact O-CB 3.41Å; R696-N700 PolarHBondContact O-N 2.66Å |
| 697 | R | 38.2 | Very low | 42.1 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.4 | -37.7 | 177.2 | -150.1 | 175 | -170.4 | 178.6 | 2.2 | 111.7 | T693 T694 R695 N700 T701 | T693-R697 WeakPolarHBondContact O-CB 3.29Å; T693-R697 PolarHBondContact O-N 3.29Å; T694-R697 PolarHBondContact O-N 3Å; R695-R697 VanDerWaalsContact C-N 3.27Å; R695-R697 PolarHBondContact O-N 3.41Å; R697-N700 PolarHBondContact O-N 3.23Å; R697-T701 PolarHBondContact O-N 3.21Å; R697-T701 PolarHBondContact O-OG1 3.24Å |
| 698 | N | 40.7 | Very low | 40.3 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 54% | 0.54 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.6 | -37.7 | 174.5 | -77 | 1.9 | 0 | 0 | 0 | 112.4 | T694 R695 N700 T701 T702 | T694-N698 PolarHBondContact O-N 3.32Å; R695-N698 PolarHBondContact O-N 2.9Å; N698-N700 VanDerWaalsContact C-N 3.33Å; N698-N700 PolarHBondContact O-N 2.8Å; N698-T701 WeakPolarHBondContact CA-OG1 3.38Å; N698-T701 PolarHBondContact O-N 3.02Å; N698-T701 PolarHBondContact O-OG1 3.23Å; N698-T702 PolarHBondContact O-OG1 3.44Å |
| 699 | D | 40.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.7 | -33.6 | 175.3 | -64.5 | -24.4 | 0 | 0 | 0 | 111.5 | R695 | R695-D699 VanDerWaalsContact O-CG 3.3Å; R695-D699 PolarHBondContact O-N 2.79Å |
| 700 | N | 37 | Very low | 37 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.6 | -15 | 175.6 | -76.9 | 0.4 | 0 | 0 | 0 | 114.7 | R696 R697 N698 T702 | R696-N700 WeakPolarHBondContact O-CB 3.41Å; R696-N700 PolarHBondContact O-N 2.66Å; R697-N700 PolarHBondContact O-N 3.23Å; N698-N700 VanDerWaalsContact C-N 3.33Å; N698-N700 PolarHBondContact O-N 2.8Å; N700-T702 VanDerWaalsContact C-N 3.33Å |
| 701 | T | 37.9 | Very low | 35.5 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 66% | 0.656 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 3.7 | 172.6 | 32.6 | 0 | 0 | 0 | 0 | 114.3 | R697 N698 | R697-T701 PolarHBondContact O-N 3.21Å; R697-T701 PolarHBondContact O-OG1 3.24Å; N698-T701 WeakPolarHBondContact CA-OG1 3.38Å; N698-T701 PolarHBondContact O-N 3.02Å; N698-T701 PolarHBondContact O-OG1 3.23Å |
| 702 | T | 35.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 13.6 | 178.3 | -33.6 | 0 | 0 | 0 | 0 | 113.3 | N698 N700 | N698-T702 PolarHBondContact O-OG1 3.44Å; N700-T702 VanDerWaalsContact C-N 3.33Å |
| 703 | I | 34.6 | Very low | 33.3 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.6 | 67.9 | 169.3 | -48.4 | 178.7 | 0 | 0 | 0 | 109.4 | ||
| 704 | T | 28.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -152.6 | 78.5 | 154.2 | -40.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 705 | T | 27.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | -91.3 | 103.1 | 165.2 | -19.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 706 | T | 27.7 | Very low | 30.9 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | -55 | 128.8 | 174.8 | -37.6 | 0 | 0 | 0 | 0 | 110.9 | T708 | T706-T708 PolarHBondContact O-N 2.76Š| ||
| 707 | T | 26.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -51.3 | 119.7 | 157.4 | -38.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 708 | T | 28.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -146.1 | 113.3 | 159 | -20.6 | 0 | 0 | 0 | 0 | 110.2 | T706 | T706-T708 PolarHBondContact O-N 2.76Š| ||
| 709 | V | 27.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -52.9 | 128 | 172.6 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 710 | T | 26.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -133.8 | 113.5 | 157.2 | -47 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 711 | T | 24.7 | Very low | 28.4 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 117.7 | 176.9 | -31.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 712 | T | 26.3 | Very low | 28 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -147.4 | 111.1 | 156.4 | 21.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 713 | T | 24.5 | Very low | 27.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -58.3 | 130.1 | 166 | 35.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 714 | T | 25.2 | Very low | 27.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | 167.3 | 138.1 | 110.2 | 32.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 715 | T | 25.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 70.5 | 102.8 | 149.6 | 32.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 716 | T | 26.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 45.6 | 115 | 122.2 | 58.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 717 | Q | 27.8 | Very low | 29.7 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 178.7 | 143 | 96.4 | -98.3 | -177.7 | -12.6 | 0 | 0 | 111.4 | |||||
| 718 | N | 27.2 | Very low | 30.1 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -50.3 | 146.9 | 170.7 | -70.6 | -27.8 | 0 | 0 | 0 | 112.5 | ||||
| 719 | T | 30 | Very low | 30.8 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | -167.1 | 124.2 | 108.1 | 33.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 720 | D | 27.8 | Very low | 31 | Very low | 142 Ų | 142 | 148 Ų | 148 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -41.6 | 146.2 | 156.6 | -79.6 | -58.8 | 0 | 0 | 0 | 112.9 | ||||
| 721 | T | 31.1 | Very low | 31.3 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | -170 | 132.2 | 109.6 | 24.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 722 | R | 29 | Very low | 31.6 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 163.5 | 170.6 | -66.3 | 171.4 | -173.9 | 179.1 | 0.6 | 111.6 | ||||
| 723 | Y | 30.6 | Very low | 31.9 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | 153.2 | 93.6 | 126.8 | -96.1 | -94.2 | 0 | 0 | 0 | 106.9 | |||||
| 724 | S | 30 | Very low | 32.4 | Very low | 87 Ų | 87 | 153.8 Ų | 153.8 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | 70.2 | 112.2 | 82.8 | 73 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 725 | R | 31.6 | Very low | 32.9 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | 79.4 | 141.1 | 139.5 | -77.8 | -172.4 | -175.4 | -176.8 | 2.2 | 121.4 | ||||
| 726 | P | 48 | Very low | 33.4 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -91.9 | -175.4 | 176.1 | 46 | -38.4 | 0 | 0 | 0 | 109.7 | ||||
| 727 | P | 49.3 | Very low | 34 | Very low | 108 Ų | 108 | 161.3 Ų | 161.3 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | -153.8 | 171.3 | 79 | 37.8 | -16.5 | 0 | 0 | 0 | 116.4 | |||||
| 728 | S | 35.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 158.8 Ų | 158.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | 49.5 | 127.5 | 142.5 | 57.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 729 | I | 43.7 | Very low | 35.1 | Very low | 239 Ų | 239 | 159.5 Ų | 159.5 | 100% | 1.226 | 83% | 0.826 | S | S | * | * | -145.6 | 0 | 52.5 | -73.5 | 168.4 | 0 | 0 | 0 | 110 |
Retrieved 729 of 729 residues in 306.5 ms
(Link to these results)