| 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 | 40.3 | Very low | 74.7 | Confident | 244 Ų | 244 | 92.1 Ų | 92.1 | 100% | 1.202 | 51% | 0.509 | S | S | * | . | 0 | 113.2 | 0 | -71.1 | 175.5 | 177.5 | 0 | 0 | 105.4 | A3 | M1-A3 PolarHBondContact O-N 3.37Š| |||
| 2 | E | 38.2 | Very low | 76.7 | Confident | 171 Ų | 171 | 84.4 Ų | 84.4 | 80% | 0.799 | 47% | 0.467 | S | S | * | . | trans | -63.2 | 129.7 | -179.2 | -75.3 | 179.7 | 151.2 | 0 | 0 | 109.6 | G4 | E2-G4 PolarHBondContact O-N 3.26Å; E2-G4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | A | 39.4 | Very low | 78.3 | Confident | 113 Ų | 113 | 78.4 Ų | 78.4 | 93% | 0.934 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 109.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | M1 | M1-A3 PolarHBondContact O-N 3.37Š|
| 4 | G | 61.2 | Low | 79.7 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.3 | -10 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E2 R6 | E2-G4 PolarHBondContact O-N 3.26Å; E2-G4 VanDerWaalsContact O-N 3.15Å; G4-R6 PolarHBondContact O-N 3.06Å |
| 5 | Q | 68.6 | Low | 80.9 | Confident | 169 Ų | 169 | 68.4 Ų | 68.4 | 79% | 0.79 | 38% | 0.381 | S | S | * | . | trans | -85.1 | 114 | 179.8 | -164 | 166.7 | 27.4 | 0 | 0 | 111.3 | ||||
| 6 | R | 88.2 | Confident | 82 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | trans | -81.8 | 160.3 | 177 | -56.3 | -172.4 | -165.6 | 170.2 | 2.6 | 111.2 | G4 Y8 H133 A149 D150 | G4-R6 PolarHBondContact O-N 3.06Å; R6-Y8 VanDerWaalsContact C-N 3.3Å; R6-Y8 PolarHBondContact O-N 3.43Å; R6-H133 PolarHBondContact NH1-CD2 3.15Å; R6-H133 PolarHBondContact NH1-CE1 3.39Å; R6-H133 PolarHBondContact NH1-ND1 3.3Å; R6-H133 PolarHBondContact NH1-NE2 3.48Å; R6-H133 PolarHBondContact NH2-CD2 2.89Å; R6-H133 PolarHBondContact NH2-NE2 3.44Å; R6-A149 WeakPolarHBondContact CD-O 3.35Å; R6-A149 PolarHBondContact NH1-O 2.81Å; R6-D150 WeakPolarHBondContact CD-OD1 3.42Å; R6-D150 IonicContact CZ-OD1 2.82Å; R6-D150 IonicContact NE-OD1 3.23Å; R6-D150 PolarHBondContact NH1-O 3.06Å | ||
| 7 | D | 92.3 | Very high | 82.9 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.9 | -32.2 | -175.4 | -59 | -57.3 | 0 | 0 | 0 | 112.5 | K32 S148 | D7-K32 WeakPolarHBondContact O-CD 3.43Å; D7-K32 WeakPolarHBondContact O-CE 3.14Å; D7-K32 PolarHBondContact O-NZ 3.25Å; D7-S148 WeakPolarHBondContact CB-O 3.38Å; D7-S148 VanDerWaalsContact CG-OG 3.25Å; D7-S148 PolarHBondContact N-O 3.33Å; D7-S148 PolarHBondContact N-OG 3.39Å; D7-S148 PolarHBondContact OD2-N 3.26Å; D7-S148 PolarHBondContact OD2-OG 3.25Å |
| 8 | Y | 97.8 | Very high | 83.8 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.6 | -176.3 | -59.7 | -85.5 | 0 | 0 | 0 | 111.7 | R6 L10 K32 A34 K121 F123 L147 S148 A149 D150 | R6-Y8 VanDerWaalsContact C-N 3.3Å; R6-Y8 PolarHBondContact O-N 3.43Å; Y8-L10 VanDerWaalsContact C-N 3.34Å; Y8-K32 HydrophobicContact CD1-CD 4.48Å; Y8-K32 HydrophobicContact CD1-CG 4.01Å; Y8-A34 HydrophobicContact CD1-CB 3.57Å; Y8-A34 HydrophobicContact CD2-CB 3.86Å; Y8-A34 HydrophobicContact CE1-CB 3.58Å; Y8-A34 HydrophobicContact CE2-CB 3.88Å; Y8-A34 HydrophobicContact CG-CB 3.74Å; Y8-K121 HydrophobicContact CE1-CB 4.09Å; Y8-F123 WeakPolarHBondContact OH-CE2 3.48Å; Y8-F123 WeakPolarHBondContact OH-CZ 3.34Å; Y8-L147 HydrophobicContact CE2-CD2 3.98Å; Y8-S148 PolarHBondContact N-O 3.15Å; Y8-A149 CarbonylContact O-C 3.56Å; Y8-A149 WeakPolarHBondContact O-CA 3.31Å; Y8-A149 WeakPolarHBondContact O-CB 3.41Å; Y8-D150 PolarHBondContact O-N 3.15Å |
| 9 | D | 98.2 | Very high | 84.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -34.8 | 169.9 | -55.2 | -25.5 | 0 | 0 | 0 | 110.1 | R31 K32 D150 H151 | D9-R31 HydrophobicContact CB-CB 4.07Å; D9-R31 VanDerWaalsContact OD2-CA 3.26Å; D9-R31 WeakPolarHBondContact OD2-CA 3.3Å; D9-K32 PolarHBondContact N-O 2.92Å; D9-K32 PolarHBondContact OD2-N 3.06Å; D9-D150 WeakPolarHBondContact O-CB 3.42Å; D9-H151 PolarHBondContact O-N 3.03Å; D9-H151 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 98.6 | Very high | 85.3 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.2 | 179 | 178.5 | 66.7 | 0 | 0 | 0 | 111.2 | Y8 V12 A26 K32 V33 A34 H151 I153 | Y8-L10 VanDerWaalsContact C-N 3.34Å; L10-V12 HydrophobicContact CD1-CG2 4.5Å; L10-V12 HydrophobicContact CD2-CG2 3.94Å; L10-V12 HydrophobicContact CG-CG2 3.99Å; L10-A26 HydrophobicContact CD2-CB 3.47Å; L10-A26 VanDerWaalsContact CD2-CB 3.47Å; L10-K32 PolarHBondContact N-O 3.16Å; L10-V33 HydrophobicContact CB-CG1 4.32Å; L10-V33 HydrophobicContact CB-CG2 4.28Å; L10-V33 HydrophobicContact CD2-CG1 4.22Å; L10-V33 HydrophobicContact CG-CG1 4.33Å; L10-V33 WeakPolarHBondContact O-CA 3.45Å; L10-A34 PolarHBondContact O-N 3.01Å; L10-H151 WeakPolarHBondContact CA-O 3.37Å; L10-H151 HydrophobicContact CD1-CB 3.99Å; L10-I153 HydrophobicContact CD1-CB 4.49Å; L10-I153 HydrophobicContact CD1-CD1 3.78Å; L10-I153 HydrophobicContact CD1-CG1 3.92Å; L10-I153 HydrophobicContact CD2-CD1 4.36Å |
| 11 | L | 98.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.6 | 166.1 | 176 | 65.2 | 0 | 0 | 0 | 109.9 | V13 A34 V36 V135 L147 A149 H151 I152 I153 | L11-V13 HydrophobicContact CG-CG2 4.43Å; L11-A34 HydrophobicContact CD1-CB 3.74Å; L11-V36 HydrophobicContact CD1-CG1 4Å; L11-V36 HydrophobicContact CD1-CG2 4.44Å; L11-V135 HydrophobicContact CD2-CB 3.76Å; L11-V135 HydrophobicContact CD2-CG1 4.44Å; L11-V135 HydrophobicContact CD2-CG2 3.68Å; L11-L147 HydrophobicContact CD1-CD1 4.18Å; L11-L147 HydrophobicContact CD2-CB 4.18Å; L11-A149 HydrophobicContact CB-CB 3.47Å; L11-A149 VanDerWaalsContact CB-CB 3.47Å; L11-H151 PolarHBondContact N-O 2.81Å; L11-I152 HydrophobicContact CB-CG1 4.35Å; L11-I152 VanDerWaalsContact O-CA 3.3Å; L11-I152 WeakPolarHBondContact O-CA 3.46Å; L11-I153 PolarHBondContact O-N 2.96Å |
| 12 | V | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.5 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | L10 G19 A23 A34 V35 V36 I153 A155 | L10-V12 HydrophobicContact CD1-CG2 4.5Å; L10-V12 HydrophobicContact CD2-CG2 3.94Å; L10-V12 HydrophobicContact CG-CG2 3.99Å; V12-G19 VanDerWaalsContact CG1-CA 3.43Å; V12-A23 HydrophobicContact CG2-CB 4.03Å; V12-A34 PolarHBondContact N-O 3.14Å; V12-V35 HydrophobicContact CB-CG2 4.21Å; V12-V35 WeakPolarHBondContact O-CA 3.12Å; V12-V36 PolarHBondContact O-N 2.96Å; V12-I153 HydrophobicContact CG1-CG2 4.47Å; V12-I153 HydrophobicContact CG2-CB 4.47Å; V12-A155 HydrophobicContact CG1-CB 4.4Å |
| 13 | V | 98.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 95.9 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L11 V36 A127 V135 I152 I153 A155 T156 | L11-V13 HydrophobicContact CG-CG2 4.43Å; V13-V36 HydrophobicContact CB-CG2 4.04Å; V13-V36 HydrophobicContact CG1-CG2 3.97Å; V13-V36 HydrophobicContact CG2-CG2 3.92Å; V13-A127 HydrophobicContact CG1-CB 4.01Å; V13-V135 HydrophobicContact CG2-CG2 4.33Å; V13-I152 HydrophobicContact CG2-CG2 3.95Å; V13-I153 PolarHBondContact N-O 3.34Å; V13-A155 CarbonylContact O-C 3.52Å; V13-A155 WeakPolarHBondContact O-CA 3.37Å; V13-A155 PolarHBondContact O-N 3.39Å; V13-T156 HydrophobicContact CG1-CG2 3.94Å; V13-T156 PolarHBondContact O-N 3.06Å |
| 14 | G | 98 | Very high | 94.4 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | trans | 121.2 | 113.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G16 G19 V36 | G14-G16 PolarHBondContact O-N 2.76Å; G14-G19 WeakPolarHBondContact O-CA 3.26Å; G14-V36 WeakPolarHBondContact CA-O 3.36Å; G14-V36 PolarHBondContact N-O 3.39Å | ||
| 15 | G | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -88.3 | 39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L20 D37 G51 G52 | G15-L20 WeakPolarHBondContact O-CD1 3.42Å; G15-L20 WeakPolarHBondContact O-CG 3.37Å; G15-D37 WeakPolarHBondContact CA-OD1 3.43Å; G15-D37 PolarHBondContact N-OD1 3.13Å; G15-G51 CarbonylContact O-C 3.45Å; G15-G51 VanDerWaalsContact O-C 3.31Å; G15-G51 WeakPolarHBondContact O-CA 3.27Å; G15-G51 PolarHBondContact O-N 3.29Å; G15-G51 VanDerWaalsContact O-N 3.14Å; G15-G52 PolarHBondContact O-N 2.8Å | ||
| 16 | G | 97.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 11% | 0.113 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -92.2 | -168.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G14 G18 G19 L20 | G14-G16 PolarHBondContact O-N 2.76Å; G16-G18 PolarHBondContact O-N 3.45Å; G16-G19 PolarHBondContact O-N 3.1Å; G16-L20 VanDerWaalsContact O-CB 3.29Å; G16-L20 WeakPolarHBondContact O-CB 3.19Å; G16-L20 WeakPolarHBondContact O-CG 3.34Å; G16-L20 PolarHBondContact O-N 3.48Å |
| 17 | S | 98 | Very high | 98.1 | Very high | 71 Ų | 71 | 27.7 Ų | 27.7 | 50% | 0.497 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -53.7 | -51.5 | -177.2 | -56 | 0 | 0 | 0 | 0 | 113.1 | A21 | S17-A21 VanDerWaalsContact O-CB 3.28Å; S17-A21 WeakPolarHBondContact O-CB 3.47Å; S17-A21 PolarHBondContact O-N 3.09Å |
| 18 | G | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 29.4 Ų | 29.4 | 53% | 0.526 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G16 A21 C22 | G16-G18 PolarHBondContact O-N 3.45Å; G18-A21 PolarHBondContact O-N 3.15Å; G18-C22 WeakPolarHBondContact O-CB 3.46Å; G18-C22 PolarHBondContact O-N 3.39Å |
| 19 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V12 G14 G16 A21 C22 A23 | V12-G19 VanDerWaalsContact CG1-CA 3.43Å; G14-G19 WeakPolarHBondContact O-CA 3.26Å; G16-G19 PolarHBondContact O-N 3.1Å; G19-A21 VanDerWaalsContact C-N 3.35Å; G19-A21 PolarHBondContact O-N 3.34Å; G19-C22 PolarHBondContact O-N 3.43Å; G19-A23 WeakPolarHBondContact O-CB 3.48Å; G19-A23 PolarHBondContact O-N 3.34Å |
| 20 | L | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 176 | -69.8 | 174.9 | 0 | 0 | 0 | 112.4 | G15 G16 K24 L50 H111 L115 | G15-L20 WeakPolarHBondContact O-CD1 3.42Å; G15-L20 WeakPolarHBondContact O-CG 3.37Å; G16-L20 VanDerWaalsContact O-CB 3.29Å; G16-L20 WeakPolarHBondContact O-CB 3.19Å; G16-L20 WeakPolarHBondContact O-CG 3.34Å; G16-L20 PolarHBondContact O-N 3.48Å; L20-K24 WeakPolarHBondContact O-CB 3.32Å; L20-K24 WeakPolarHBondContact O-CD 3.35Å; L20-K24 WeakPolarHBondContact O-CG 3.44Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-L50 HydrophobicContact CD1-CD1 4.47Å; L20-L50 HydrophobicContact CD1-CG 4.34Å; L20-L50 HydrophobicContact CD2-CD1 4.16Å; L20-L50 HydrophobicContact CD2-CD2 4.39Å; L20-L50 HydrophobicContact CD2-CG 4.41Å; L20-H111 HydrophobicContact CD1-CB 4.32Å; L20-L115 HydrophobicContact CD2-CD1 3.85Å; L20-L115 HydrophobicContact CD2-CD2 4Å; L20-L115 HydrophobicContact CD2-CG 4.23Å |
| 21 | A | 98.6 | Very high | 98.3 | Very high | 59 Ų | 59 | 41 Ų | 41 | 49% | 0.488 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S17 G18 G19 A23 K24 E25 | S17-A21 VanDerWaalsContact O-CB 3.28Å; S17-A21 WeakPolarHBondContact O-CB 3.47Å; S17-A21 PolarHBondContact O-N 3.09Å; G18-A21 PolarHBondContact O-N 3.15Å; G19-A21 VanDerWaalsContact C-N 3.35Å; G19-A21 PolarHBondContact O-N 3.34Å; A21-A23 PolarHBondContact O-N 3.19Å; A21-K24 PolarHBondContact O-N 2.92Å; A21-E25 PolarHBondContact O-N 2.86Å; A21-E25 VanDerWaalsContact O-N 3.1Å |
| 22 | C | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | G18 G19 K24 E25 A26 I153 | G18-C22 WeakPolarHBondContact O-CB 3.46Å; G18-C22 PolarHBondContact O-N 3.39Å; G19-C22 PolarHBondContact O-N 3.43Å; C22-K24 VanDerWaalsContact C-N 3.34Å; C22-K24 PolarHBondContact O-N 3.43Å; C22-E25 PolarHBondContact O-N 3.39Å; C22-A26 WeakPolarHBondContact O-CB 3.29Å; C22-A26 PolarHBondContact O-N 3Å; C22-I153 HydrophobicContact CB-CD1 4.42Å; C22-I153 WeakPolarHBondContact SG-CD1 3.49Å |
| 23 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V12 G19 A21 A27 V33 V35 V120 | V12-A23 HydrophobicContact CG2-CB 4.03Å; G19-A23 WeakPolarHBondContact O-CB 3.48Å; G19-A23 PolarHBondContact O-N 3.34Å; A21-A23 PolarHBondContact O-N 3.19Å; A23-A27 WeakPolarHBondContact O-CB 3.07Å; A23-A27 PolarHBondContact O-N 2.89Å; A23-A27 VanDerWaalsContact O-N 3.1Å; A23-V33 HydrophobicContact CB-CG1 3.89Å; A23-V35 HydrophobicContact CB-CG2 3.31Å; A23-V120 HydrophobicContact CB-CG1 4.36Å |
| 24 | K | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 178.8 | -71.2 | 169.7 | -171 | -179.1 | 0 | 111.7 | L20 A21 C22 A27 Q28 H111 L115 | L20-K24 WeakPolarHBondContact O-CB 3.32Å; L20-K24 WeakPolarHBondContact O-CD 3.35Å; L20-K24 WeakPolarHBondContact O-CG 3.44Å; L20-K24 PolarHBondContact O-N 3.1Å; A21-K24 PolarHBondContact O-N 2.92Å; C22-K24 VanDerWaalsContact C-N 3.34Å; C22-K24 PolarHBondContact O-N 3.43Å; K24-A27 PolarHBondContact O-N 3.31Å; K24-Q28 WeakPolarHBondContact O-CG 3.44Å; K24-Q28 PolarHBondContact O-N 2.7Å; K24-H111 PolarHBondContact NZ-ND1 3.47Å; K24-L115 HydrophobicContact CG-CD2 4.3Å |
| 25 | E | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 46.3 Ų | 46.3 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 178.8 | -170.6 | 60.6 | -143.4 | 0 | 0 | 110.9 | A21 C22 A27 Q28 L29 | A21-E25 PolarHBondContact O-N 2.86Å; A21-E25 VanDerWaalsContact O-N 3.1Å; C22-E25 PolarHBondContact O-N 3.39Å; E25-A27 VanDerWaalsContact C-N 3.28Å; E25-A27 PolarHBondContact O-N 3.42Å; E25-Q28 WeakPolarHBondContact O-CB 3.49Å; E25-Q28 PolarHBondContact O-N 2.85Å; E25-Q28 PolarHBondContact OE2-OE1 3.24Å; E25-L29 WeakPolarHBondContact O-CG 3.16Å; E25-L29 PolarHBondContact O-N 3.33Å |
| 26 | A | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 C22 L29 R31 V33 | L10-A26 HydrophobicContact CD2-CB 3.47Å; L10-A26 VanDerWaalsContact CD2-CB 3.47Å; C22-A26 WeakPolarHBondContact O-CB 3.29Å; C22-A26 PolarHBondContact O-N 3Å; A26-L29 PolarHBondContact O-N 3.09Å; A26-R31 VanDerWaalsContact O-CB 3.27Å; A26-R31 WeakPolarHBondContact O-CB 3.5Å; A26-R31 WeakPolarHBondContact O-CG 3.44Å; A26-R31 PolarHBondContact O-N 3.13Å; A26-R31 VanDerWaalsContact O-N 3.13Å; A26-V33 HydrophobicContact CB-CG2 3.78Å |
| 27 | A | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A23 K24 E25 L29 G30 V33 R118 V120 | A23-A27 WeakPolarHBondContact O-CB 3.07Å; A23-A27 PolarHBondContact O-N 2.89Å; A23-A27 VanDerWaalsContact O-N 3.1Å; K24-A27 PolarHBondContact O-N 3.31Å; E25-A27 VanDerWaalsContact C-N 3.28Å; E25-A27 PolarHBondContact O-N 3.42Å; A27-L29 VanDerWaalsContact C-N 3.25Å; A27-L29 PolarHBondContact O-N 3.41Å; A27-G30 PolarHBondContact O-N 2.95Å; A27-V33 HydrophobicContact CB-CG2 4.19Å; A27-R118 HydrophobicContact CB-CB 4.06Å; A27-V120 HydrophobicContact CB-CG2 3.46Å; A27-V120 VanDerWaalsContact CB-CG2 3.46Å |
| 28 | Q | 97.9 | Very high | 98.3 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -31.2 | 173.8 | -76.3 | 172.1 | -25.9 | 0 | 0 | 112.2 | K24 E25 G30 | K24-Q28 WeakPolarHBondContact O-CG 3.44Å; K24-Q28 PolarHBondContact O-N 2.7Å; E25-Q28 WeakPolarHBondContact O-CB 3.49Å; E25-Q28 PolarHBondContact O-N 2.85Å; E25-Q28 PolarHBondContact OE2-OE1 3.24Å; Q28-G30 PolarHBondContact O-N 3.04Å |
| 29 | L | 98.3 | Very high | 98.2 | Very high | 121 Ų | 121 | 46.2 Ų | 46.2 | 63% | 0.634 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 12.6 | 172.5 | -62.6 | 172.9 | 0 | 0 | 0 | 113.6 | E25 A26 A27 | E25-L29 WeakPolarHBondContact O-CG 3.16Å; E25-L29 PolarHBondContact O-N 3.33Å; A26-L29 PolarHBondContact O-N 3.09Å; A27-L29 VanDerWaalsContact C-N 3.25Å; A27-L29 PolarHBondContact O-N 3.41Å |
| 30 | G | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 50 Ų | 50 | 68% | 0.68 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 12.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A27 Q28 | A27-G30 PolarHBondContact O-N 2.95Å; Q28-G30 PolarHBondContact O-N 3.04Å |
| 31 | R | 98.4 | Very high | 97.9 | Very high | 154 Ų | 154 | 51.9 Ų | 51.9 | 58% | 0.581 | 28% | 0.276 | S | S | * | . | trans | -82.2 | 148.2 | 179.2 | -54.3 | -57.3 | 177.6 | 177.8 | -1.2 | 112.3 | D9 A26 V33 | D9-R31 HydrophobicContact CB-CB 4.07Å; D9-R31 VanDerWaalsContact OD2-CA 3.26Å; D9-R31 WeakPolarHBondContact OD2-CA 3.3Å; A26-R31 VanDerWaalsContact O-CB 3.27Å; A26-R31 WeakPolarHBondContact O-CB 3.5Å; A26-R31 WeakPolarHBondContact O-CG 3.44Å; A26-R31 PolarHBondContact O-N 3.13Å; A26-R31 VanDerWaalsContact O-N 3.13Å; R31-V33 HydrophobicContact CB-CG2 4.09Å; R31-V33 PolarHBondContact O-N 3.29Å | ||
| 32 | K | 98.4 | Very high | 97.9 | Very high | 121 Ų | 121 | 49.3 Ų | 49.3 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | trans | -81.8 | 107.9 | 171 | -170 | -176.1 | 179.4 | -165.8 | 0 | 109.4 | D7 Y8 D9 L10 | D7-K32 WeakPolarHBondContact O-CD 3.43Å; D7-K32 WeakPolarHBondContact O-CE 3.14Å; D7-K32 PolarHBondContact O-NZ 3.25Å; Y8-K32 HydrophobicContact CD1-CD 4.48Å; Y8-K32 HydrophobicContact CD1-CG 4.01Å; D9-K32 PolarHBondContact N-O 2.92Å; D9-K32 PolarHBondContact OD2-N 3.06Å; L10-K32 PolarHBondContact N-O 3.16Å | ||
| 33 | V | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.2 | -170.5 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | L10 A23 A26 A27 R31 V120 K121 | L10-V33 HydrophobicContact CB-CG1 4.32Å; L10-V33 HydrophobicContact CB-CG2 4.28Å; L10-V33 HydrophobicContact CD2-CG1 4.22Å; L10-V33 HydrophobicContact CG-CG1 4.33Å; L10-V33 WeakPolarHBondContact O-CA 3.45Å; A23-V33 HydrophobicContact CB-CG1 3.89Å; A26-V33 HydrophobicContact CB-CG2 3.78Å; A27-V33 HydrophobicContact CB-CG2 4.19Å; R31-V33 HydrophobicContact CB-CG2 4.09Å; R31-V33 PolarHBondContact O-N 3.29Å; V33-V120 HydrophobicContact CB-CG1 4.17Å; V33-V120 HydrophobicContact CB-CG2 4.26Å; V33-V120 HydrophobicContact CG1-CG1 4.05Å; V33-K121 PolarHBondContact O-N 3.47Å |
| 34 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y8 L10 L11 V12 K121 F123 | Y8-A34 HydrophobicContact CD1-CB 3.57Å; Y8-A34 HydrophobicContact CD2-CB 3.86Å; Y8-A34 HydrophobicContact CE1-CB 3.58Å; Y8-A34 HydrophobicContact CE2-CB 3.88Å; Y8-A34 HydrophobicContact CG-CB 3.74Å; L10-A34 PolarHBondContact O-N 3.01Å; L11-A34 HydrophobicContact CD1-CB 3.74Å; V12-A34 PolarHBondContact N-O 3.14Å; A34-K121 CarbonylContact C-O 3.49Å; A34-K121 VanDerWaalsContact CA-O 3.31Å; A34-K121 WeakPolarHBondContact CA-O 3.42Å; A34-F123 HydrophobicContact CB-CD2 4.31Å; A34-F123 HydrophobicContact CB-CE2 4.02Å |
| 35 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.5 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | V12 A23 L115 V120 K121 F123 | V12-V35 HydrophobicContact CB-CG2 4.21Å; V12-V35 WeakPolarHBondContact O-CA 3.12Å; A23-V35 HydrophobicContact CB-CG2 3.31Å; V35-L115 HydrophobicContact CG2-CD2 4.49Å; V35-V120 HydrophobicContact CG2-CG1 3.74Å; V35-K121 PolarHBondContact N-O 3.25Å; V35-F123 PolarHBondContact O-N 2.89Å |
| 36 | V | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.8 | 165.9 | -62.5 | 0 | 0 | 0 | 0 | 108.6 | L11 V12 V13 G14 F123 I125 A127 L147 | L11-V36 HydrophobicContact CD1-CG1 4Å; L11-V36 HydrophobicContact CD1-CG2 4.44Å; V12-V36 PolarHBondContact O-N 2.96Å; V13-V36 HydrophobicContact CB-CG2 4.04Å; V13-V36 HydrophobicContact CG1-CG2 3.97Å; V13-V36 HydrophobicContact CG2-CG2 3.92Å; G14-V36 WeakPolarHBondContact CA-O 3.36Å; G14-V36 PolarHBondContact N-O 3.39Å; V36-F123 WeakPolarHBondContact CA-O 3.28Å; V36-F123 HydrophobicContact CG1-CB 3.95Å; V36-F123 HydrophobicContact CG1-CD2 4.42Å; V36-I125 HydrophobicContact CB-CG1 4.17Å; V36-I125 HydrophobicContact CG1-CD1 3.92Å; V36-I125 HydrophobicContact CG1-CG1 3.89Å; V36-A127 HydrophobicContact CB-CB 4.34Å; V36-A127 HydrophobicContact CG2-CB 3.69Å; V36-L147 HydrophobicContact CG1-CD1 3.44Å; V36-L147 VanDerWaalsContact CG1-CD1 3.44Å |
| 37 | D | 98 | Very high | 97.5 | Very high | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145 | 173.4 | -166.1 | 48 | 0 | 0 | 0 | 109.4 | G15 L50 Y122 F123 N124 I125 | G15-D37 WeakPolarHBondContact CA-OD1 3.43Å; G15-D37 PolarHBondContact N-OD1 3.13Å; D37-L50 HydrophobicContact CB-CD1 4Å; D37-Y122 HydrophobicContact CB-CE2 3.69Å; D37-F123 PolarHBondContact N-O 3.45Å; D37-N124 CarbonylContact O-C 3.56Å; D37-N124 VanDerWaalsContact O-CA 3.27Å; D37-N124 WeakPolarHBondContact O-CA 3.49Å; D37-N124 PolarHBondContact O-OD1 3.34Å; D37-I125 PolarHBondContact O-N 2.98Å |
| 38 | Y | 96.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | trans | -153.1 | 130.8 | 173.1 | -174.3 | -97.5 | 0 | 0 | 0 | 110.2 | E40 I125 K126 | Y38-E40 HydrophobicContact CE1-CB 4.34Å; Y38-I125 WeakPolarHBondContact CB-O 3.45Å; Y38-K126 HydrophobicContact CD1-CB 3.72Å; Y38-K126 HydrophobicContact CD1-CD 4.08Å; Y38-K126 HydrophobicContact CD1-CG 3.96Å; Y38-K126 HydrophobicContact CD2-CB 4.18Å; Y38-K126 HydrophobicContact CE1-CB 4.13Å; Y38-K126 HydrophobicContact CE1-CD 4.06Å; Y38-K126 HydrophobicContact CE1-CG 4.4Å; Y38-K126 HydrophobicContact CG-CB 3.73Å; Y38-K126 HydrophobicContact CG-CG 4.39Å | ||
| 39 | V | 96.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | trans | -100.7 | 101.4 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | R47 W48 | V39-R47 HydrophobicContact CG1-CB 4.29Å; V39-W48 HydrophobicContact CG1-CD2 3.74Å; V39-W48 VanDerWaalsContact CG1-CE2 3.47Å; V39-W48 HydrophobicContact CG1-CE3 4.19Å; V39-W48 HydrophobicContact CG1-CG 4.15Å; V39-W48 HydrophobicContact CG1-CH2 4.16Å; V39-W48 HydrophobicContact CG1-CZ2 3.73Å; V39-W48 HydrophobicContact CG1-CZ3 4.37Å; V39-W48 HydrophobicContact CG2-CG 4.39Å | ||
| 40 | E | 95 | Very high | 97.5 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.7 | 166.5 | -167.9 | 67.8 | -124 | 0 | 0 | 108.5 | Y38 K126 R159 | Y38-E40 HydrophobicContact CE1-CB 4.34Å; E40-K126 WeakPolarHBondContact OE2-CE 3.38Å; E40-K126 IonicContact OE2-NZ 3.91Å; E40-K126 PolarHBondContact OE2-NZ 3.45Å; E40-R159 PolarHBondContact O-NH1 3.06Å; E40-R159 PolarHBondContact O-NH2 3.28Å; E40-R159 VanDerWaalsContact O-NH2 3.16Å |
| 41 | P | 96.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 148.5 | 176.9 | -24.9 | 35 | 0 | 0 | 0 | 111.8 | T46 R47 | P41-T46 CarbonylContact C-O 3.56Å; P41-T46 VanDerWaalsContact CA-O 3.25Å; P41-T46 WeakPolarHBondContact CA-O 3.29Å; P41-R47 HydrophobicContact CG-CB 4.48Å |
| 42 | S | 96.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 165.3 | 165.9 | 73.9 | 0 | 0 | 0 | 0 | 110 | Q44 G45 T46 D178 | S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact O-N 3.07Å; S42-Q44 PolarHBondContact OG-N 3.42Å; S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.01Å; S42-G45 PolarHBondContact OG-N 3.34Å; S42-T46 PolarHBondContact N-O 2.93Å; S42-T46 WeakPolarHBondContact OG-CB 3.14Å; S42-T46 PolarHBondContact OG-N 2.94Å; S42-T46 PolarHBondContact OG-OG1 3.07Å; S42-D178 VanDerWaalsContact CB-OD1 3.27Å; S42-D178 WeakPolarHBondContact CB-OD1 3.06Å; S42-D178 PolarHBondContact OG-OD1 3.28Å |
| 43 | P | 95.9 | Very high | 97.5 | Very high | 74 Ų | 74 | 36.9 Ų | 36.9 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26 | 172 | -28.3 | 38.2 | 0 | 0 | 0 | 113.6 | G45 Y162 L170 | P43-G45 VanDerWaalsContact C-N 3.29Å; P43-Y162 HydrophobicContact CG-CD2 4.17Å; P43-Y162 HydrophobicContact CG-CE2 3.59Å; P43-L170 HydrophobicContact CB-CD1 3.72Å; P43-L170 HydrophobicContact CB-CG 4.16Å; P43-L170 HydrophobicContact CG-CD1 3.5Å; P43-L170 VanDerWaalsContact CG-CD1 3.5Å; P43-L170 HydrophobicContact CG-CG 4.45Å |
| 44 | Q | 96.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.4 | 176.7 | -54.8 | -57.9 | -37.5 | 0 | 0 | 113.2 | S42 L170 E171 G173 I174 | S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact O-N 3.07Å; S42-Q44 PolarHBondContact OG-N 3.42Å; Q44-L170 PolarHBondContact NE2-O 2.78Å; Q44-E171 PolarHBondContact NE2-O 3.43Å; Q44-G173 PolarHBondContact NE2-O 3.4Å; Q44-G173 VanDerWaalsContact NE2-O 3.14Å; Q44-I174 HydrophobicContact CG-CG2 4.33Å |
| 45 | G | 97 | Very high | 97.4 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | trans | 84 | 5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S42 P43 | S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.01Å; S42-G45 PolarHBondContact OG-N 3.34Å; P43-G45 VanDerWaalsContact C-N 3.29Å | ||
| 46 | T | 98.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 16% | 0.16 | 22% | 0.216 | C | C | . | . | trans | -70.6 | 132.4 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | P41 S42 W48 D177 D178 W181 | P41-T46 CarbonylContact C-O 3.56Å; P41-T46 VanDerWaalsContact CA-O 3.25Å; P41-T46 WeakPolarHBondContact CA-O 3.29Å; S42-T46 PolarHBondContact N-O 2.93Å; S42-T46 WeakPolarHBondContact OG-CB 3.14Å; S42-T46 PolarHBondContact OG-N 2.94Å; S42-T46 PolarHBondContact OG-OG1 3.07Å; T46-W48 HydrophobicContact CG2-CE3 4.38Å; T46-W48 HydrophobicContact CG2-CZ3 4.45Å; T46-D177 WeakPolarHBondContact CG2-O 3.17Å; T46-D178 WeakPolarHBondContact CB-OD1 3.49Å; T46-D178 PolarHBondContact OG1-OD1 2.93Å; T46-W181 HydrophobicContact CG2-CB 3.59Å; T46-W181 HydrophobicContact CG2-CG 3.75Å | ||
| 47 | R | 97.2 | Very high | 97.4 | Very high | 159 Ų | 159 | 39.2 Ų | 39.2 | 60% | 0.6 | 22% | 0.216 | S | C | * | . | trans | -145.6 | 160.4 | 174.5 | 71.9 | 177.3 | -168.6 | -142.4 | -7.9 | 110.4 | V39 P41 | V39-R47 HydrophobicContact CG1-CB 4.29Å; P41-R47 HydrophobicContact CG-CB 4.48Å | ||
| 48 | W | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | trans | -141.8 | -173.7 | -176.1 | 53 | 80.6 | 0 | 0 | 0 | 112.6 | V39 T46 N56 V57 D177 W181 | V39-W48 HydrophobicContact CG1-CD2 3.74Å; V39-W48 VanDerWaalsContact CG1-CE2 3.47Å; V39-W48 HydrophobicContact CG1-CE3 4.19Å; V39-W48 HydrophobicContact CG1-CG 4.15Å; V39-W48 HydrophobicContact CG1-CH2 4.16Å; V39-W48 HydrophobicContact CG1-CZ2 3.73Å; V39-W48 HydrophobicContact CG1-CZ3 4.37Å; V39-W48 HydrophobicContact CG2-CG 4.39Å; T46-W48 HydrophobicContact CG2-CE3 4.38Å; T46-W48 HydrophobicContact CG2-CZ3 4.45Å; W48-N56 HydrophobicContact CB-CB 3.76Å; W48-N56 HydrophobicContact CD2-CB 3.97Å; W48-N56 HydrophobicContact CG-CB 3.34Å; W48-V57 HydrophobicContact CD2-CG1 3.79Å; W48-V57 HydrophobicContact CD2-CG2 4.42Å; W48-V57 HydrophobicContact CE3-CG1 3.42Å; W48-V57 VanDerWaalsContact CE3-CG1 3.42Å; W48-V57 HydrophobicContact CH2-CB 4.43Å; W48-V57 HydrophobicContact CH2-CG1 3.92Å; W48-V57 HydrophobicContact CH2-CG2 3.77Å; W48-V57 HydrophobicContact CZ2-CG1 4.24Å; W48-V57 HydrophobicContact CZ2-CG2 3.58Å; W48-V57 HydrophobicContact CZ3-CB 4.46Å; W48-V57 HydrophobicContact CZ3-CG1 3.51Å; W48-V57 HydrophobicContact CZ3-CG2 4.26Å; W48-D177 HydrophobicContact CH2-CB 3.81Å; W48-D177 HydrophobicContact CZ3-CB 3.77Å; W48-W181 HydrophobicContact CB-CH2 4.42Å; W48-W181 HydrophobicContact CB-CZ2 3.68Å | ||
| 49 | G | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | trans | -95.2 | -171.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N56 | G49-N56 PolarHBondContact O-ND2 3.23Å; G49-N56 VanDerWaalsContact O-ND2 3.1Å | ||
| 50 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -60.6 | 144.9 | 179.3 | -177.4 | 63.8 | 0 | 0 | 0 | 112.4 | L20 D37 N108 H111 R112 L115 Y122 | L20-L50 HydrophobicContact CD1-CD1 4.47Å; L20-L50 HydrophobicContact CD1-CG 4.34Å; L20-L50 HydrophobicContact CD2-CD1 4.16Å; L20-L50 HydrophobicContact CD2-CD2 4.39Å; L20-L50 HydrophobicContact CD2-CG 4.41Å; D37-L50 HydrophobicContact CB-CD1 4Å; L50-N108 PolarHBondContact O-ND2 3.01Å; L50-H111 HydrophobicContact CD2-CB 3.96Å; L50-H111 HydrophobicContact CG-CB 4.22Å; L50-R112 HydrophobicContact CD2-CG 3.82Å; L50-L115 HydrophobicContact CD2-CD1 3.7Å; L50-Y122 HydrophobicContact CD1-CD2 4.23Å; L50-Y122 HydrophobicContact CD1-CE2 3.59Å; L50-Y122 HydrophobicContact CD2-CD2 4.41Å; L50-Y122 HydrophobicContact CD2-CE2 4.32Å; L50-Y122 HydrophobicContact CG-CE2 4.47Å |
| 51 | G | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 128.8 | -9.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G15 V55 | G15-G51 CarbonylContact O-C 3.45Å; G15-G51 VanDerWaalsContact O-C 3.31Å; G15-G51 WeakPolarHBondContact O-CA 3.27Å; G15-G51 PolarHBondContact O-N 3.29Å; G15-G51 VanDerWaalsContact O-N 3.14Å; G51-V55 WeakPolarHBondContact O-CG2 3.33Å |
| 52 | G | 98.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | 65.4 | -163.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G15 C54 N56 | G15-G52 PolarHBondContact O-N 2.8Å; G52-C54 PolarHBondContact O-N 2.92Å; G52-N56 PolarHBondContact O-N 3.04Å; G52-N56 PolarHBondContact O-ND2 3.2Å |
| 53 | T | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.1 | -51.1 | -170 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | V55 N56 V57 G58 | T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.95Å; T53-N56 PolarHBondContact O-N 3.49Å; T53-V57 HydrophobicContact CG2-CG2 3.96Å; T53-V57 CarbonylContact O-C 3.51Å; T53-V57 PolarHBondContact O-N 2.86Å; T53-G58 WeakPolarHBondContact O-CA 3.38Å; T53-G58 PolarHBondContact O-N 2.98Å |
| 54 | C | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | -171.3 | -172.4 | 0 | 0 | 0 | 0 | 112.7 | G52 G58 C59 I60 | G52-C54 PolarHBondContact O-N 2.92Å; C54-G58 CarbonylContact O-C 3.52Å; C54-C59 HydrophobicContact CB-CB 4.27Å; C54-C59 WeakPolarHBondContact CB-SG 3.49Å; C54-C59 PolarHBondContact O-N 2.87Å; C54-C59 VanDerWaalsContact O-N 3.16Å; C54-C59 WeakPolarHBondContact SG-CB 3.45Å; C54-C59 CovalentContact SG-SG 2.05Å; C54-C59 PolarHBondContact SG-SG 3.45Å; C54-I60 WeakPolarHBondContact O-CG1 3.46Å; C54-I60 PolarHBondContact O-N 3.13Å |
| 55 | V | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.1 | -44.9 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | G51 T53 P61 V104 L107 | G51-V55 WeakPolarHBondContact O-CG2 3.33Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.95Å; V55-P61 WeakPolarHBondContact O-CD 3.43Å; V55-V104 HydrophobicContact CG1-CG1 4.47Å; V55-V104 WeakPolarHBondContact O-CG2 3.3Å; V55-L107 HydrophobicContact CG1-CB 3.73Å; V55-L107 HydrophobicContact CG1-CD1 4.04Å |
| 56 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -99.8 | -34.6 | -163.6 | -66 | -81.1 | 0 | 0 | 0 | 115.3 | W48 G49 G52 T53 V104 N108 W181 | W48-N56 HydrophobicContact CB-CB 3.76Å; W48-N56 HydrophobicContact CD2-CB 3.97Å; W48-N56 HydrophobicContact CG-CB 3.34Å; G49-N56 PolarHBondContact O-ND2 3.23Å; G49-N56 VanDerWaalsContact O-ND2 3.1Å; G52-N56 PolarHBondContact O-N 3.04Å; G52-N56 PolarHBondContact O-ND2 3.2Å; T53-N56 PolarHBondContact O-N 3.49Å; N56-V104 HydrophobicContact CB-CG1 4.35Å; N56-V104 WeakPolarHBondContact OD1-CG1 3.41Å; N56-N108 PolarHBondContact OD1-ND2 2.74Å; N56-N108 PolarHBondContact OD1-OD1 3.01Å; N56-W181 PolarHBondContact O-NE1 3.18Å |
| 57 | V | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -146.7 | 27.2 | -169.3 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | W48 T53 D177 F180 | W48-V57 HydrophobicContact CD2-CG1 3.79Å; W48-V57 HydrophobicContact CD2-CG2 4.42Å; W48-V57 HydrophobicContact CE3-CG1 3.42Å; W48-V57 VanDerWaalsContact CE3-CG1 3.42Å; W48-V57 HydrophobicContact CH2-CB 4.43Å; W48-V57 HydrophobicContact CH2-CG1 3.92Å; W48-V57 HydrophobicContact CH2-CG2 3.77Å; W48-V57 HydrophobicContact CZ2-CG1 4.24Å; W48-V57 HydrophobicContact CZ2-CG2 3.58Å; W48-V57 HydrophobicContact CZ3-CB 4.46Å; W48-V57 HydrophobicContact CZ3-CG1 3.51Å; W48-V57 HydrophobicContact CZ3-CG2 4.26Å; T53-V57 HydrophobicContact CG2-CG2 3.96Å; T53-V57 CarbonylContact O-C 3.51Å; T53-V57 PolarHBondContact O-N 2.86Å; V57-D177 WeakPolarHBondContact CG1-O 3.35Å; V57-F180 HydrophobicContact CB-CD2 4.29Å; V57-F180 WeakPolarHBondContact O-CE2 3.49Å |
| 58 | G | 97.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -145.3 | -127.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T53 C54 I60 P61 K62 | T53-G58 WeakPolarHBondContact O-CA 3.38Å; T53-G58 PolarHBondContact O-N 2.98Å; C54-G58 CarbonylContact O-C 3.52Å; G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 3.34Å; G58-P61 VanDerWaalsContact O-CD 3.31Å; G58-P61 WeakPolarHBondContact O-CD 3.37Å; G58-P61 WeakPolarHBondContact O-CG 3.31Å; G58-K62 WeakPolarHBondContact O-CB 3.27Å; G58-K62 PolarHBondContact O-N 2.87Å |
| 59 | C | 98.1 | Very high | 98.5 | Very high | 62 Ų | 62 | 32.6 Ų | 32.6 | 42% | 0.419 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -48.5 | -48.9 | -169.1 | -29.1 | 0 | 0 | 0 | 0 | 114.1 | C54 K63 | C54-C59 HydrophobicContact CB-CB 4.27Å; C54-C59 WeakPolarHBondContact CB-SG 3.49Å; C54-C59 PolarHBondContact O-N 2.87Å; C54-C59 VanDerWaalsContact O-N 3.16Å; C54-C59 WeakPolarHBondContact SG-CB 3.45Å; C54-C59 CovalentContact SG-SG 2.05Å; C54-C59 PolarHBondContact SG-SG 3.45Å; C59-K63 WeakPolarHBondContact O-CB 3.38Å; C59-K63 PolarHBondContact O-N 3.24Å |
| 60 | I | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66 | -62.7 | -173.8 | -60.4 | -60.7 | 0 | 0 | 0 | 111.5 | C54 G58 K62 K63 L64 V104 L107 | C54-I60 WeakPolarHBondContact O-CG1 3.46Å; C54-I60 PolarHBondContact O-N 3.13Å; G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 3.34Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.01Å; I60-K63 PolarHBondContact O-N 2.87Å; I60-L64 HydrophobicContact CG2-CD1 4.04Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3Å; I60-V104 HydrophobicContact CG2-CG2 4.41Å; I60-L107 HydrophobicContact CG1-CD1 4.11Å; I60-L107 HydrophobicContact CG2-CD1 3.93Å |
| 61 | P | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | -179.5 | 27.1 | -37.1 | 0 | 0 | 0 | 112.3 | V55 G58 K63 L64 M65 V100 F180 | V55-P61 WeakPolarHBondContact O-CD 3.43Å; G58-P61 VanDerWaalsContact O-CD 3.31Å; G58-P61 WeakPolarHBondContact O-CD 3.37Å; G58-P61 WeakPolarHBondContact O-CG 3.31Å; P61-K63 PolarHBondContact O-N 2.98Å; P61-L64 PolarHBondContact O-N 3.27Å; P61-M65 WeakPolarHBondContact O-CG 3.44Å; P61-M65 PolarHBondContact O-N 3.39Å; P61-V100 HydrophobicContact CB-CG1 3.57Å; P61-F180 HydrophobicContact CB-CB 3.82Å; P61-F180 HydrophobicContact CB-CD1 3.68Å; P61-F180 HydrophobicContact CB-CD2 4.31Å; P61-F180 HydrophobicContact CB-CE1 4.34Å; P61-F180 HydrophobicContact CB-CG 3.66Å; P61-F180 HydrophobicContact CG-CB 4.13Å; P61-F180 HydrophobicContact CG-CD1 4.13Å; P61-F180 HydrophobicContact CG-CD2 3.91Å; P61-F180 HydrophobicContact CG-CE2 4.37Å; P61-F180 HydrophobicContact CG-CG 3.78Å |
| 62 | K | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -50.1 | 173 | -178.1 | -80.5 | -58.1 | -81.9 | 0 | 111.2 | G58 I60 L64 M65 H66 F180 E200 | G58-K62 WeakPolarHBondContact O-CB 3.27Å; G58-K62 PolarHBondContact O-N 2.87Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.01Å; K62-L64 VanDerWaalsContact C-N 3.35Å; K62-L64 PolarHBondContact O-N 3.29Å; K62-M65 PolarHBondContact O-N 2.91Å; K62-H66 VanDerWaalsContact O-CB 3.3Å; K62-H66 WeakPolarHBondContact O-CB 3.3Å; K62-H66 PolarHBondContact O-N 3.43Å; K62-F180 HydrophobicContact CB-CE1 4.12Å; K62-F180 HydrophobicContact CB-CZ 3.86Å; K62-E200 HydrophobicContact CD-CB 4.13Å; K62-E200 HydrophobicContact CD-CG 4.26Å; K62-E200 WeakPolarHBondContact CD-OE2 3.39Å; K62-E200 HydrophobicContact CG-CB 4.19Å; K62-E200 IonicContact NZ-OE1 2.87Å; K62-E200 PolarHBondContact NZ-OE1 3.45Å; K62-E200 IonicContact NZ-OE2 3.4Å; K62-E200 PolarHBondContact NZ-OE2 3.04Å |
| 63 | K | 98.8 | Very high | 98.4 | Very high | 122 Ų | 122 | 41.6 Ų | 41.6 | 53% | 0.53 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -37.7 | -177.7 | -177.9 | 67 | -178.9 | -152.5 | 0 | 111.7 | C59 I60 P61 H66 Q67 | C59-K63 WeakPolarHBondContact O-CB 3.38Å; C59-K63 PolarHBondContact O-N 3.24Å; I60-K63 PolarHBondContact O-N 2.87Å; P61-K63 PolarHBondContact O-N 2.98Å; K63-H66 PolarHBondContact O-N 3.38Å; K63-Q67 WeakPolarHBondContact O-CB 3.48Å; K63-Q67 PolarHBondContact O-N 3.21Å |
| 64 | L | 98.9 | Very high | 98.4 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 34% | 0.34 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.6 | -42 | 177.7 | -66.8 | 172.3 | 0 | 0 | 0 | 112.1 | I60 P61 K62 Q67 A68 V100 H103 | I60-L64 HydrophobicContact CG2-CD1 4.04Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3Å; P61-L64 PolarHBondContact O-N 3.27Å; K62-L64 VanDerWaalsContact C-N 3.35Å; K62-L64 PolarHBondContact O-N 3.29Å; L64-Q67 WeakPolarHBondContact O-CB 3.22Å; L64-Q67 PolarHBondContact O-N 3.09Å; L64-A68 PolarHBondContact O-N 2.77Å; L64-V100 HydrophobicContact CB-CG2 3.77Å; L64-V100 HydrophobicContact CD1-CG1 4.26Å; L64-V100 HydrophobicContact CD1-CG2 4.26Å; L64-H103 HydrophobicContact CD1-CB 4.27Å |
| 65 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.9 | -36.6 | 174.4 | -68.4 | -167.9 | 176.6 | 0 | 0 | 112.1 | P61 K62 Q67 A68 A69 W93 M96 V100 F180 F204 | P61-M65 WeakPolarHBondContact O-CG 3.44Å; P61-M65 PolarHBondContact O-N 3.39Å; K62-M65 PolarHBondContact O-N 2.91Å; M65-Q67 VanDerWaalsContact C-N 3.31Å; M65-Q67 PolarHBondContact O-N 3.07Å; M65-A68 WeakPolarHBondContact O-CB 2.98Å; M65-A68 PolarHBondContact O-N 2.82Å; M65-A69 PolarHBondContact O-N 3.18Å; M65-A69 VanDerWaalsContact O-N 3.11Å; M65-W93 HydrophobicContact CE-CH2 4.16Å; M65-W93 HydrophobicContact CE-CZ2 4.31Å; M65-W93 HydrophobicContact SD-CH2 4.22Å; M65-M96 HydrophobicContact CB-SD 4.3Å; M65-M96 HydrophobicContact CE-CE 4.01Å; M65-M96 HydrophobicContact CG-CE 3.97Å; M65-M96 HydrophobicContact CG-SD 3.97Å; M65-M96 HydrophobicContact SD-CE 3.95Å; M65-V100 HydrophobicContact CG-CG2 4.33Å; M65-F180 HydrophobicContact CE-CB 4.47Å; M65-F180 HydrophobicContact CE-CD1 4.02Å; M65-F180 HydrophobicContact SD-CD1 3.65Å; M65-F180 HydrophobicContact SD-CE1 4.1Å; M65-F204 HydrophobicContact CB-CB 4.49Å; M65-F204 HydrophobicContact CB-CD1 4.12Å; M65-F204 HydrophobicContact CB-CD2 3.89Å; M65-F204 HydrophobicContact CB-CE1 4.29Å; M65-F204 HydrophobicContact CB-CE2 4.13Å; M65-F204 HydrophobicContact CB-CG 3.94Å; M65-F204 HydrophobicContact CB-CZ 4.34Å; M65-F204 HydrophobicContact SD-CD2 4.35Å; M65-F204 HydrophobicContact SD-CE1 4.43Å; M65-F204 HydrophobicContact SD-CE2 3.67Å; M65-F204 HydrophobicContact SD-CZ 3.74Å |
| 66 | H | 98.9 | Very high | 98.2 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 170 | 176.5 | 63.8 | 0 | 0 | 0 | 111.9 | K62 K63 A68 A69 L70 | K62-H66 VanDerWaalsContact O-CB 3.3Å; K62-H66 WeakPolarHBondContact O-CB 3.3Å; K62-H66 PolarHBondContact O-N 3.43Å; K63-H66 PolarHBondContact O-N 3.38Å; H66-A68 VanDerWaalsContact C-N 3.32Å; H66-A68 PolarHBondContact O-N 2.78Å; H66-A69 WeakPolarHBondContact O-CB 3.44Å; H66-A69 PolarHBondContact O-N 2.8Å; H66-L70 WeakPolarHBondContact O-CG 3.13Å; H66-L70 PolarHBondContact O-N 3.34Å |
| 67 | Q | 98.9 | Very high | 98.1 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 174.6 | -177.4 | 61.1 | 27.5 | 0 | 0 | 112 | K63 L64 M65 A69 L70 L71 | K63-Q67 WeakPolarHBondContact O-CB 3.48Å; K63-Q67 PolarHBondContact O-N 3.21Å; L64-Q67 WeakPolarHBondContact O-CB 3.22Å; L64-Q67 PolarHBondContact O-N 3.09Å; M65-Q67 VanDerWaalsContact C-N 3.31Å; M65-Q67 PolarHBondContact O-N 3.07Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 2.98Å; Q67-L70 PolarHBondContact O-N 2.05Å; Q67-L71 HydrophobicContact CG-CD1 4.35Å; Q67-L71 HydrophobicContact CG-CG 4.5Å; Q67-L71 WeakPolarHBondContact O-CG 3.21Å; Q67-L71 PolarHBondContact O-N 3.25Å |
| 68 | A | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L64 M65 H66 L71 G72 M96 I208 | L64-A68 PolarHBondContact O-N 2.77Å; M65-A68 WeakPolarHBondContact O-CB 2.98Å; M65-A68 PolarHBondContact O-N 2.82Å; H66-A68 VanDerWaalsContact C-N 3.32Å; H66-A68 PolarHBondContact O-N 2.78Å; A68-L71 PolarHBondContact O-N 3.16Å; A68-G72 PolarHBondContact O-N 3.21Å; A68-M96 HydrophobicContact CB-CG 4.17Å; A68-M96 HydrophobicContact CB-SD 3.53Å; A68-M96 VanDerWaalsContact CB-SD 3.53Å; A68-I208 HydrophobicContact CB-CG2 4.35Å |
| 69 | A | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M65 H66 Q67 L71 G72 G73 F204 I208 | M65-A69 PolarHBondContact O-N 3.18Å; M65-A69 VanDerWaalsContact O-N 3.11Å; H66-A69 WeakPolarHBondContact O-CB 3.44Å; H66-A69 PolarHBondContact O-N 2.8Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 2.98Å; A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.26Å; A69-G72 PolarHBondContact O-N 3.14Å; A69-G72 VanDerWaalsContact O-N 3.15Å; A69-G73 PolarHBondContact O-N 2.81Å; A69-F204 HydrophobicContact CB-CB 4.18Å; A69-I208 HydrophobicContact CB-CG2 4.16Å |
| 70 | L | 98.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176.5 | -67.8 | 179.9 | 0 | 0 | 0 | 112.4 | H66 Q67 G72 G73 L74 | H66-L70 WeakPolarHBondContact O-CG 3.13Å; H66-L70 PolarHBondContact O-N 3.34Å; Q67-L70 PolarHBondContact O-N 2.05Å; L70-G72 VanDerWaalsContact C-N 3.25Å; L70-G72 PolarHBondContact O-N 2.77Å; L70-G73 PolarHBondContact O-N 2.92Å; L70-G73 VanDerWaalsContact O-N 3.13Å; L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 2.88Å |
| 71 | L | 98.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 67 Ų | 67 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 175.7 | -74.7 | 168.7 | 0 | 0 | 0 | 112 | Q67 A68 A69 G73 L74 I75 | Q67-L71 HydrophobicContact CG-CD1 4.35Å; Q67-L71 HydrophobicContact CG-CG 4.5Å; Q67-L71 WeakPolarHBondContact O-CG 3.21Å; Q67-L71 PolarHBondContact O-N 3.25Å; A68-L71 PolarHBondContact O-N 3.16Å; A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.26Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-L74 HydrophobicContact CD2-CD1 4.27Å; L71-L74 PolarHBondContact O-N 2.89Å; L71-I75 WeakPolarHBondContact O-CB 3.47Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 3.19Å |
| 72 | G | 97.6 | Very high | 98 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A68 A69 L70 I75 Q76 | A68-G72 PolarHBondContact O-N 3.21Å; A69-G72 PolarHBondContact O-N 3.14Å; A69-G72 VanDerWaalsContact O-N 3.15Å; L70-G72 VanDerWaalsContact C-N 3.25Å; L70-G72 PolarHBondContact O-N 2.77Å; G72-I75 PolarHBondContact O-N 2.98Å; G72-Q76 WeakPolarHBondContact O-CG 3.45Å; G72-Q76 PolarHBondContact O-N 2.97Å |
| 73 | G | 96.3 | Very high | 98 | Very high | 28 Ų | 28 | 77 Ų | 77 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A69 L70 L71 I75 Q76 D77 | A69-G73 PolarHBondContact O-N 2.81Å; L70-G73 PolarHBondContact O-N 2.92Å; L70-G73 VanDerWaalsContact O-N 3.13Å; L71-G73 VanDerWaalsContact C-N 3.34Å; G73-I75 VanDerWaalsContact C-N 3.26Å; G73-I75 PolarHBondContact O-N 2.72Å; G73-Q76 WeakPolarHBondContact O-CA 3.37Å; G73-Q76 WeakPolarHBondContact O-CB 3.36Å; G73-Q76 PolarHBondContact O-N 3.22Å; G73-D77 PolarHBondContact O-N 3.21Å |
| 74 | L | 97.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 81 Ų | 81 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 178 | -68.1 | 173.6 | 0 | 0 | 0 | 112.8 | L70 L71 Q76 D77 A78 | L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 2.88Å; L71-L74 HydrophobicContact CD2-CD1 4.27Å; L71-L74 PolarHBondContact O-N 2.89Å; L74-Q76 VanDerWaalsContact C-N 3.29Å; L74-Q76 PolarHBondContact O-N 2.86Å; L74-D77 PolarHBondContact O-N 3.2Å; L74-A78 WeakPolarHBondContact O-CB 3.39Å; L74-A78 PolarHBondContact O-N 3.46Å |
| 75 | I | 97.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 32% | 0.318 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 173.5 | -76.9 | 165.7 | 0 | 0 | 0 | 111.4 | L71 G72 G73 P79 V85 Q87 V89 | L71-I75 WeakPolarHBondContact O-CB 3.47Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 3.19Å; G72-I75 PolarHBondContact O-N 2.98Å; G73-I75 VanDerWaalsContact C-N 3.26Å; G73-I75 PolarHBondContact O-N 2.72Å; I75-P79 WeakPolarHBondContact O-CD 3.45Å; I75-V85 HydrophobicContact CG2-CG1 4.17Å; I75-Q87 VanDerWaalsContact CG2-NE2 3.28Å; I75-V89 HydrophobicContact CD1-CG1 4.49Å; I75-V89 HydrophobicContact CG2-CB 4.35Å; I75-V89 HydrophobicContact CG2-CG2 3.91Å |
| 76 | Q | 95.6 | Very high | 97.5 | Very high | 141 Ų | 141 | 84.9 Ų | 84.9 | 66% | 0.659 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.7 | -33.1 | 175.5 | -64.9 | 174.7 | 2.8 | 0 | 0 | 112.1 | G72 G73 L74 P79 | G72-Q76 WeakPolarHBondContact O-CG 3.45Å; G72-Q76 PolarHBondContact O-N 2.97Å; G73-Q76 WeakPolarHBondContact O-CA 3.37Å; G73-Q76 WeakPolarHBondContact O-CB 3.36Å; G73-Q76 PolarHBondContact O-N 3.22Å; L74-Q76 VanDerWaalsContact C-N 3.29Å; L74-Q76 PolarHBondContact O-N 2.86Å; Q76-P79 WeakPolarHBondContact O-CD 3.43Å |
| 77 | D | 97.3 | Very high | 97 | Very high | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.6 | -32.1 | 177 | -69.9 | -20.7 | 0 | 0 | 0 | 112.4 | G73 L74 P79 N80 Y81 | G73-D77 PolarHBondContact O-N 3.21Å; L74-D77 PolarHBondContact O-N 3.2Å; D77-P79 VanDerWaalsContact C-CD 3.48Å; D77-N80 WeakPolarHBondContact O-CB 3.45Å; D77-N80 PolarHBondContact O-N 3.21Å; D77-Y81 WeakPolarHBondContact O-CD2 3.39Å |
| 78 | A | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 88.3 Ų | 88.3 | 15% | 0.149 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -53.3 | -40.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L74 N80 Y81 G82 W83 V85 | L74-A78 WeakPolarHBondContact O-CB 3.39Å; L74-A78 PolarHBondContact O-N 3.46Å; A78-N80 PolarHBondContact O-N 3.12Å; A78-Y81 CarbonylContact O-C 3.51Å; A78-Y81 PolarHBondContact O-N 3.15Å; A78-G82 PolarHBondContact O-N 3.26Å; A78-W83 HydrophobicContact CB-CB 3.88Å; A78-W83 HydrophobicContact CB-CG 4.26Å; A78-W83 PolarHBondContact O-N 3.17Å; A78-V85 HydrophobicContact CB-CG2 4.18Å |
| 79 | P | 97.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 90.7 Ų | 90.7 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -58.2 | -32.2 | 175 | -26.7 | 36.7 | 0 | 0 | 0 | 114.4 | I75 Q76 D77 Y81 G82 W83 | I75-P79 WeakPolarHBondContact O-CD 3.45Å; Q76-P79 WeakPolarHBondContact O-CD 3.43Å; D77-P79 VanDerWaalsContact C-CD 3.48Å; P79-Y81 PolarHBondContact O-N 3.04Å; P79-G82 PolarHBondContact O-N 3.42Å; P79-W83 WeakPolarHBondContact CA-O 3.45Å |
| 80 | N | 97.5 | Very high | 96.4 | Very high | 131 Ų | 131 | 95.9 Ų | 95.9 | 70% | 0.701 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.5 | 176.9 | -61.6 | -44.2 | 0 | 0 | 0 | 112.7 | D77 A78 | D77-N80 WeakPolarHBondContact O-CB 3.45Å; D77-N80 PolarHBondContact O-N 3.21Å; A78-N80 PolarHBondContact O-N 3.12Å |
| 81 | Y | 97.9 | Very high | 96.3 | Very high | 189 Ų | 189 | 96 Ų | 96 | 74% | 0.741 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -110.2 | 16.2 | 179.5 | -65.2 | -90.2 | 0 | 0 | 0 | 112.7 | D77 A78 P79 | D77-Y81 WeakPolarHBondContact O-CD2 3.39Å; A78-Y81 CarbonylContact O-C 3.51Å; A78-Y81 PolarHBondContact O-N 3.15Å; P79-Y81 PolarHBondContact O-N 3.04Å |
| 82 | G | 97.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 95 Ų | 95 | 71% | 0.711 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 11.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A78 P79 | A78-G82 PolarHBondContact O-N 3.26Å; P79-G82 PolarHBondContact O-N 3.42Å |
| 83 | W | 98 | Very high | 96.4 | Very high | 183 Ų | 183 | 94.3 Ų | 94.3 | 69% | 0.693 | 52% | 0.518 | S | S | * | . | trans | -89.5 | 117.6 | 173.7 | -63.3 | 91.9 | 0 | 0 | 0 | 111.2 | A78 P79 V85 | A78-W83 HydrophobicContact CB-CB 3.88Å; A78-W83 HydrophobicContact CB-CG 4.26Å; A78-W83 PolarHBondContact O-N 3.17Å; P79-W83 WeakPolarHBondContact CA-O 3.45Å; W83-V85 HydrophobicContact CB-CG2 4.18Å; W83-V85 PolarHBondContact O-N 3.01Å; W83-V85 VanDerWaalsContact O-N 3.15Å | ||
| 84 | E | 96.4 | Very high | 96.5 | Very high | 206 Ų | 206 | 100 Ų | 100 | 96% | 0.963 | 53% | 0.53 | S | S | * | . | trans | -77.3 | 99.1 | 171.7 | -65.9 | -176.3 | 179.6 | 0 | 0 | 110.1 | ||||
| 85 | V | 95.6 | Very high | 96.6 | Very high | 55 Ų | 55 | 102.3 Ų | 102.3 | 33% | 0.333 | 54% | 0.536 | S | S | . | . | trans | -111.4 | 124.6 | 176.9 | -174 | 0 | 0 | 0 | 0 | 109.4 | I75 A78 W83 Q87 V89 | I75-V85 HydrophobicContact CG2-CG1 4.17Å; A78-V85 HydrophobicContact CB-CG2 4.18Å; W83-V85 HydrophobicContact CB-CG2 4.18Å; W83-V85 PolarHBondContact O-N 3.01Å; W83-V85 VanDerWaalsContact O-N 3.15Å; V85-Q87 PolarHBondContact O-N 3.41Å; V85-V89 HydrophobicContact CG1-CG2 4.13Å | ||
| 86 | A | 93.6 | Very high | 96.6 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 74% | 0.744 | 53% | 0.525 | S | S | * | . | trans | -66.3 | 129.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V89 | A86-V89 WeakPolarHBondContact O-CG2 3.45Š| ||
| 87 | Q | 90.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 93.6 Ų | 93.6 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -120.6 | 149.3 | -178.5 | -66.6 | -66.5 | -16.1 | 0 | 0 | 111 | I75 V85 | I75-Q87 VanDerWaalsContact CG2-NE2 3.28Å; V85-Q87 PolarHBondContact O-N 3.41Å |
| 88 | P | 91.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 95.4 Ų | 95.4 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | cis | -78.6 | 146.5 | -0.9 | 32.1 | -34.7 | 0 | 0 | 0 | 112.9 | P90 | P88-P90 WeakPolarHBondContact O-CD 3.33Š| ||
| 89 | V | 95.2 | Very high | 96.8 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | trans | -93.1 | 108.3 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | I75 V85 A86 | I75-V89 HydrophobicContact CD1-CG1 4.49Å; I75-V89 HydrophobicContact CG2-CB 4.35Å; I75-V89 HydrophobicContact CG2-CG2 3.91Å; V85-V89 HydrophobicContact CG1-CG2 4.13Å; A86-V89 WeakPolarHBondContact O-CG2 3.45Å | ||
| 90 | P | 95.4 | Very high | 96.9 | Very high | 120 Ų | 120 | 95 Ų | 95 | 78% | 0.779 | 50% | 0.502 | S | S | * | . | trans | -73.9 | 144.9 | 177.9 | 30.6 | -34.7 | 0 | 0 | 0 | 111.6 | P88 | P88-P90 WeakPolarHBondContact O-CD 3.33Š| ||
| 91 | H | 98.4 | Very high | 97 | Very high | 79 Ų | 79 | 90.2 Ų | 90.2 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | trans | -91.5 | 137.6 | 172.3 | 176.5 | -93.5 | 0 | 0 | 0 | 111.4 | M96 | H91-M96 PolarHBondContact NE2-SD 2.91Š| ||
| 92 | D | 98.6 | Very high | 97 | Very high | 65 Ų | 65 | 85 Ų | 85 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | trans | -109.4 | 105.2 | 176.8 | -175.9 | -25.8 | 0 | 0 | 0 | 110.3 | R94 K95 M96 | D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 3.38Å; D92-R94 WeakPolarHBondContact OD1-CB 3.49Å; D92-R94 PolarHBondContact OD1-N 3.36Å; D92-K95 HydrophobicContact CB-CB 4.15Å; D92-K95 HydrophobicContact CB-CD 4.04Å; D92-K95 HydrophobicContact CB-CG 4.22Å; D92-K95 PolarHBondContact O-N 2.94Å; D92-K95 PolarHBondContact OD1-N 2.9Å; D92-K95 VanDerWaalsContact OD1-N 3.14Å; D92-K95 VanDerWaalsContact OD2-CD 3.27Å; D92-K95 WeakPolarHBondContact OD2-CD 3.38Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.44Å; D92-K95 IonicContact OD2-NZ 2.66Å; D92-M96 PolarHBondContact O-N 3.41Å; D92-M96 VanDerWaalsContact O-N 3.14Å | ||
| 93 | W | 98.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 85.9 Ų | 85.9 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 178.8 | 176.2 | -87.7 | 0 | 0 | 0 | 112.5 | M65 K95 M96 A97 I179 L182 E184 P186 L205 I208 | M65-W93 HydrophobicContact CE-CH2 4.16Å; M65-W93 HydrophobicContact CE-CZ2 4.31Å; M65-W93 HydrophobicContact SD-CH2 4.22Å; W93-K95 PolarHBondContact O-N 3Å; W93-M96 HydrophobicContact CD2-CE 4.17Å; W93-M96 HydrophobicContact CE3-CE 3.56Å; W93-M96 HydrophobicContact CH2-CE 4.23Å; W93-M96 HydrophobicContact CZ3-CE 3.6Å; W93-M96 PolarHBondContact O-N 3.39Å; W93-A97 VanDerWaalsContact O-CB 3.26Å; W93-A97 WeakPolarHBondContact O-CB 3.46Å; W93-A97 PolarHBondContact O-N 2.88Å; W93-I179 HydrophobicContact CH2-CG1 4.34Å; W93-I179 WeakPolarHBondContact CZ2-O 3.49Å; W93-L182 HydrophobicContact CZ2-CB 3.97Å; W93-L182 HydrophobicContact CZ2-CD1 4.42Å; W93-L182 PolarHBondContact NE1-O 3.31Å; W93-E184 PolarHBondContact NE1-O 3.31Å; W93-E184 VanDerWaalsContact NE1-O 3.14Å; W93-P186 HydrophobicContact CE3-CG 4.4Å; W93-P186 HydrophobicContact CH2-CG 4.09Å; W93-P186 HydrophobicContact CZ3-CG 3.98Å; W93-L205 HydrophobicContact CH2-CD2 4.45Å; W93-L205 HydrophobicContact CZ3-CD2 3.97Å; W93-I208 HydrophobicContact CE3-CD1 3.85Å; W93-I208 HydrophobicContact CZ3-CD1 3.83Å |
| 94 | R | 98.6 | Very high | 97.1 | Very high | 147 Ų | 147 | 77.2 Ų | 77.2 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | -173.8 | -66.3 | -176.3 | 179.3 | 176.3 | 0.6 | 110.3 | D92 A97 E98 K183 E184 | D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 3.38Å; D92-R94 WeakPolarHBondContact OD1-CB 3.49Å; D92-R94 PolarHBondContact OD1-N 3.36Å; R94-A97 PolarHBondContact O-N 2.64Å; R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.35Å; R94-E98 PolarHBondContact O-N 2.9Å; R94-K183 WeakPolarHBondContact CG-O 3.46Å; R94-E184 IonicContact CZ-OE1 2.65Å; R94-E184 IonicContact CZ-OE2 3.64Å; R94-E184 IonicContact NE-OE1 2.64Å; R94-E184 PolarHBondContact NE-OE1 2.96Å; R94-E184 IonicContact NE-OE2 3.53Å; R94-E184 PolarHBondContact NE-OE2 2.92Å; R94-E184 IonicContact NH2-OE1 2.71Å; R94-E184 PolarHBondContact NH2-OE1 2.65Å; R94-E184 IonicContact NH2-OE2 2.74Å; R94-E184 PolarHBondContact NH2-OE2 3.16Å |
| 95 | K | 98.7 | Very high | 97.2 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.2 | -71.9 | 179.4 | -173.4 | 170.7 | 0 | 112.3 | D92 W93 A99 | D92-K95 HydrophobicContact CB-CB 4.15Å; D92-K95 HydrophobicContact CB-CD 4.04Å; D92-K95 HydrophobicContact CB-CG 4.22Å; D92-K95 PolarHBondContact O-N 2.94Å; D92-K95 PolarHBondContact OD1-N 2.9Å; D92-K95 VanDerWaalsContact OD1-N 3.14Å; D92-K95 VanDerWaalsContact OD2-CD 3.27Å; D92-K95 WeakPolarHBondContact OD2-CD 3.38Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.44Å; D92-K95 IonicContact OD2-NZ 2.66Å; W93-K95 PolarHBondContact O-N 3Å; K95-A99 WeakPolarHBondContact O-CB 3.45Å; K95-A99 PolarHBondContact O-N 2.65Å |
| 96 | M | 98.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 175.8 | -179.7 | -172.5 | 66.3 | 0 | 0 | 110.9 | M65 A68 H91 D92 W93 E98 A99 V100 I208 | M65-M96 HydrophobicContact CB-SD 4.3Å; M65-M96 HydrophobicContact CE-CE 4.01Å; M65-M96 HydrophobicContact CG-CE 3.97Å; M65-M96 HydrophobicContact CG-SD 3.97Å; M65-M96 HydrophobicContact SD-CE 3.95Å; A68-M96 HydrophobicContact CB-CG 4.17Å; A68-M96 HydrophobicContact CB-SD 3.53Å; A68-M96 VanDerWaalsContact CB-SD 3.53Å; H91-M96 PolarHBondContact NE2-SD 2.91Å; D92-M96 PolarHBondContact O-N 3.41Å; D92-M96 VanDerWaalsContact O-N 3.14Å; W93-M96 HydrophobicContact CD2-CE 4.17Å; W93-M96 HydrophobicContact CE3-CE 3.56Å; W93-M96 HydrophobicContact CH2-CE 4.23Å; W93-M96 HydrophobicContact CZ3-CE 3.6Å; W93-M96 PolarHBondContact O-N 3.39Å; M96-E98 VanDerWaalsContact C-N 3.33Å; M96-E98 PolarHBondContact O-N 3.31Å; M96-A99 PolarHBondContact O-N 3.1Å; M96-V100 HydrophobicContact CG-CG2 4.42Å; M96-V100 VanDerWaalsContact O-CG2 3.29Å; M96-V100 WeakPolarHBondContact O-CG2 3.14Å; M96-V100 PolarHBondContact O-N 2.83Å; M96-I208 HydrophobicContact CE-CD1 3.95Å; M96-I208 HydrophobicContact SD-CG2 4.45Å |
| 97 | A | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 71 Ų | 71 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | W93 R94 V100 Q101 | W93-A97 VanDerWaalsContact O-CB 3.26Å; W93-A97 WeakPolarHBondContact O-CB 3.46Å; W93-A97 PolarHBondContact O-N 2.88Å; R94-A97 PolarHBondContact O-N 2.64Å; A97-V100 PolarHBondContact O-N 2.92Å; A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.47Å; A97-Q101 WeakPolarHBondContact O-CG 3.33Å; A97-Q101 PolarHBondContact O-N 2.85Å |
| 98 | E | 98.8 | Very high | 98 | Very high | 118 Ų | 118 | 66.7 Ų | 66.7 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.9 | -48.1 | 175.9 | -178.5 | 174.5 | -166.2 | 0 | 0 | 112 | R94 M96 V100 Q101 N102 | R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.35Å; R94-E98 PolarHBondContact O-N 2.9Å; M96-E98 VanDerWaalsContact C-N 3.33Å; M96-E98 PolarHBondContact O-N 3.31Å; E98-V100 PolarHBondContact O-N 3.39Å; E98-Q101 PolarHBondContact O-N 3.23Å; E98-N102 WeakPolarHBondContact O-CB 3.43Å; E98-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact O-ND2 2.95Å |
| 99 | A | 98.8 | Very high | 98.3 | Very high | 63 Ų | 63 | 69 Ų | 69 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K95 M96 N102 H103 | K95-A99 WeakPolarHBondContact O-CB 3.45Å; K95-A99 PolarHBondContact O-N 2.65Å; M96-A99 PolarHBondContact O-N 3.1Å; A99-N102 PolarHBondContact O-N 3Å; A99-H103 PolarHBondContact O-N 3.45Å; A99-H103 VanDerWaalsContact O-N 3.12Å |
| 100 | V | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | P61 L64 M65 M96 A97 E98 N102 H103 V104 | P61-V100 HydrophobicContact CB-CG1 3.57Å; L64-V100 HydrophobicContact CB-CG2 3.77Å; L64-V100 HydrophobicContact CD1-CG1 4.26Å; L64-V100 HydrophobicContact CD1-CG2 4.26Å; M65-V100 HydrophobicContact CG-CG2 4.33Å; M96-V100 HydrophobicContact CG-CG2 4.42Å; M96-V100 VanDerWaalsContact O-CG2 3.29Å; M96-V100 WeakPolarHBondContact O-CG2 3.14Å; M96-V100 PolarHBondContact O-N 2.83Å; A97-V100 PolarHBondContact O-N 2.92Å; E98-V100 PolarHBondContact O-N 3.39Å; V100-N102 VanDerWaalsContact C-N 3.32Å; V100-N102 PolarHBondContact O-N 3.34Å; V100-H103 PolarHBondContact O-N 3.19Å; V100-V104 HydrophobicContact CG1-CG2 4.46Å; V100-V104 WeakPolarHBondContact O-CG2 3.09Å; V100-V104 PolarHBondContact O-N 2.88Å |
| 101 | Q | 98.3 | Very high | 98.6 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -35.2 | -179.4 | -72.6 | 171.7 | 30.3 | 0 | 0 | 112.4 | A97 E98 V104 K105 W181 | A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.47Å; A97-Q101 WeakPolarHBondContact O-CG 3.33Å; A97-Q101 PolarHBondContact O-N 2.85Å; E98-Q101 PolarHBondContact O-N 3.23Å; Q101-V104 PolarHBondContact O-N 3.45Å; Q101-K105 WeakPolarHBondContact O-CB 3.44Å; Q101-K105 WeakPolarHBondContact O-CG 3.43Å; Q101-K105 PolarHBondContact O-N 3.35Å; Q101-W181 HydrophobicContact CB-CZ3 4.27Å; Q101-W181 HydrophobicContact CG-CD2 4.37Å; Q101-W181 HydrophobicContact CG-CE3 3.79Å; Q101-W181 HydrophobicContact CG-CH2 4.42Å; Q101-W181 HydrophobicContact CG-CZ3 3.83Å |
| 102 | N | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 43% | 0.428 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.3 | -73 | -17.1 | 0 | 0 | 0 | 111.3 | E98 A99 V100 K105 S106 | E98-N102 WeakPolarHBondContact O-CB 3.43Å; E98-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact O-ND2 2.95Å; A99-N102 PolarHBondContact O-N 3Å; V100-N102 VanDerWaalsContact C-N 3.32Å; V100-N102 PolarHBondContact O-N 3.34Å; N102-K105 PolarHBondContact O-N 2.93Å; N102-S106 PolarHBondContact O-N 3.5Å |
| 103 | H | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.398 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 173.4 | -174.2 | 69.9 | 0 | 0 | 0 | 112 | L64 A99 V100 K105 S106 L107 | L64-H103 HydrophobicContact CD1-CB 4.27Å; A99-H103 PolarHBondContact O-N 3.45Å; A99-H103 VanDerWaalsContact O-N 3.12Å; V100-H103 PolarHBondContact O-N 3.19Å; H103-K105 VanDerWaalsContact C-N 3.35Å; H103-K105 PolarHBondContact O-N 2.92Å; H103-S106 WeakPolarHBondContact O-CB 3.31Å; H103-S106 PolarHBondContact O-N 2.88Å; H103-L107 PolarHBondContact O-N 3.25Å |
| 104 | V | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | V55 N56 I60 V100 Q101 S106 L107 N108 W181 | V55-V104 HydrophobicContact CG1-CG1 4.47Å; V55-V104 WeakPolarHBondContact O-CG2 3.3Å; N56-V104 HydrophobicContact CB-CG1 4.35Å; N56-V104 WeakPolarHBondContact OD1-CG1 3.41Å; I60-V104 HydrophobicContact CG2-CG2 4.41Å; V100-V104 HydrophobicContact CG1-CG2 4.46Å; V100-V104 WeakPolarHBondContact O-CG2 3.09Å; V100-V104 PolarHBondContact O-N 2.88Å; Q101-V104 PolarHBondContact O-N 3.45Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.21Å; V104-L107 WeakPolarHBondContact O-CB 3.48Å; V104-L107 PolarHBondContact O-N 2.89Å; V104-L107 VanDerWaalsContact O-N 3.15Å; V104-N108 VanDerWaalsContact O-CG 3.25Å; V104-N108 PolarHBondContact O-N 3.49Å; V104-N108 PolarHBondContact O-OD1 2.99Å; V104-W181 HydrophobicContact CG1-CH2 4.32Å; V104-W181 HydrophobicContact CG1-CZ2 3.94Å |
| 105 | K | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.8 | -73.3 | 166.5 | -170.9 | 165.3 | 0 | 112.2 | Q101 N102 H103 L107 N108 W109 | Q101-K105 WeakPolarHBondContact O-CB 3.44Å; Q101-K105 WeakPolarHBondContact O-CG 3.43Å; Q101-K105 PolarHBondContact O-N 3.35Å; N102-K105 PolarHBondContact O-N 2.93Å; H103-K105 VanDerWaalsContact C-N 3.35Å; H103-K105 PolarHBondContact O-N 2.92Å; K105-L107 VanDerWaalsContact C-N 3.35Å; K105-N108 PolarHBondContact O-N 3.43Å; K105-W109 PolarHBondContact O-N 2.81Å |
| 106 | S | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | N102 H103 V104 W109 G110 | N102-S106 PolarHBondContact O-N 3.5Å; H103-S106 WeakPolarHBondContact O-CB 3.31Å; H103-S106 PolarHBondContact O-N 2.88Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.21Å; S106-W109 PolarHBondContact O-N 2.84Å; S106-G110 PolarHBondContact O-N 3.3Å |
| 107 | L | 98.6 | Very high | 98.5 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.3 | -64.1 | 176.3 | 0 | 0 | 0 | 112.1 | V55 I60 H103 V104 K105 W109 G110 H111 | V55-L107 HydrophobicContact CG1-CB 3.73Å; V55-L107 HydrophobicContact CG1-CD1 4.04Å; I60-L107 HydrophobicContact CG1-CD1 4.11Å; I60-L107 HydrophobicContact CG2-CD1 3.93Å; H103-L107 PolarHBondContact O-N 3.25Å; V104-L107 WeakPolarHBondContact O-CB 3.48Å; V104-L107 PolarHBondContact O-N 2.89Å; V104-L107 VanDerWaalsContact O-N 3.15Å; K105-L107 VanDerWaalsContact C-N 3.35Å; L107-W109 VanDerWaalsContact C-N 3.28Å; L107-W109 PolarHBondContact O-N 3.27Å; L107-G110 PolarHBondContact O-N 2.99Å; L107-H111 PolarHBondContact O-CD2 3.28Å; L107-H111 PolarHBondContact O-N 2.96Å |
| 108 | N | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 175.4 | -57.5 | 152 | 0 | 0 | 0 | 111.4 | L50 N56 V104 K105 R112 | L50-N108 PolarHBondContact O-ND2 3.01Å; N56-N108 PolarHBondContact OD1-ND2 2.74Å; N56-N108 PolarHBondContact OD1-OD1 3.01Å; V104-N108 VanDerWaalsContact O-CG 3.25Å; V104-N108 PolarHBondContact O-N 3.49Å; V104-N108 PolarHBondContact O-OD1 2.99Å; K105-N108 PolarHBondContact O-N 3.43Å; N108-R112 WeakPolarHBondContact O-CG 3.46Å; N108-R112 PolarHBondContact O-N 2.95Å |
| 109 | W | 98.5 | Very high | 98.4 | Very high | 171 Ų | 171 | 69.9 Ų | 69.9 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | 176.6 | 177.6 | 83.2 | 0 | 0 | 0 | 111.4 | K105 S106 L107 H111 R112 V113 | K105-W109 PolarHBondContact O-N 2.81Å; S106-W109 PolarHBondContact O-N 2.84Å; L107-W109 VanDerWaalsContact C-N 3.28Å; L107-W109 PolarHBondContact O-N 3.27Å; W109-H111 VanDerWaalsContact C-N 3.28Å; W109-H111 PolarHBondContact O-N 3.35Å; W109-R112 WeakPolarHBondContact O-CB 3.36Å; W109-R112 PolarHBondContact O-N 2.98Å; W109-V113 HydrophobicContact CD2-CG2 3.88Å; W109-V113 HydrophobicContact CE3-CG2 4.19Å; W109-V113 HydrophobicContact CH2-CG2 3.92Å; W109-V113 HydrophobicContact CZ2-CG2 3.57Å; W109-V113 HydrophobicContact CZ3-CG2 4.21Å; W109-V113 WeakPolarHBondContact O-CG2 3.33Å; W109-V113 PolarHBondContact O-N 2.99Å |
| 110 | G | 98.5 | Very high | 98.4 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | S106 L107 V113 Q114 | S106-G110 PolarHBondContact O-N 3.3Å; L107-G110 PolarHBondContact O-N 2.99Å; G110-V113 PolarHBondContact O-N 3.48Å; G110-Q114 WeakPolarHBondContact O-CB 3.45Å; G110-Q114 VanDerWaalsContact O-CG 3.29Å; G110-Q114 WeakPolarHBondContact O-CG 3.45Å; G110-Q114 PolarHBondContact O-N 2.96Å |
| 111 | H | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 173.4 | -78.6 | -63.3 | 0 | 0 | 0 | 112.7 | L20 K24 L50 L107 W109 Q114 L115 | L20-H111 HydrophobicContact CD1-CB 4.32Å; K24-H111 PolarHBondContact NZ-ND1 3.47Å; L50-H111 HydrophobicContact CD2-CB 3.96Å; L50-H111 HydrophobicContact CG-CB 4.22Å; L107-H111 PolarHBondContact O-CD2 3.28Å; L107-H111 PolarHBondContact O-N 2.96Å; W109-H111 VanDerWaalsContact C-N 3.28Å; W109-H111 PolarHBondContact O-N 3.35Å; H111-Q114 PolarHBondContact O-N 3.13Å; H111-L115 WeakPolarHBondContact O-CG 3.35Å; H111-L115 PolarHBondContact O-N 3.38Å; H111-L115 VanDerWaalsContact O-N 3.09Å |
| 112 | R | 98.1 | Very high | 98.4 | Very high | 104 Ų | 104 | 73.6 Ų | 73.6 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.7 | -69.7 | -178 | -177.2 | 116.8 | -1.5 | 111.8 | L50 N108 W109 L115 Q116 | L50-R112 HydrophobicContact CD2-CG 3.82Å; N108-R112 WeakPolarHBondContact O-CG 3.46Å; N108-R112 PolarHBondContact O-N 2.95Å; W109-R112 WeakPolarHBondContact O-CB 3.36Å; W109-R112 PolarHBondContact O-N 2.98Å; R112-L115 PolarHBondContact O-N 3.38Å; R112-Q116 PolarHBondContact O-N 3.23Å |
| 113 | V | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 71.3 Ų | 71.3 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | W109 G110 L115 Q116 D117 | W109-V113 HydrophobicContact CD2-CG2 3.88Å; W109-V113 HydrophobicContact CE3-CG2 4.19Å; W109-V113 HydrophobicContact CH2-CG2 3.92Å; W109-V113 HydrophobicContact CZ2-CG2 3.57Å; W109-V113 HydrophobicContact CZ3-CG2 4.21Å; W109-V113 WeakPolarHBondContact O-CG2 3.33Å; W109-V113 PolarHBondContact O-N 2.99Å; G110-V113 PolarHBondContact O-N 3.48Å; V113-L115 VanDerWaalsContact C-N 3.28Å; V113-L115 PolarHBondContact O-N 3.15Å; V113-Q116 WeakPolarHBondContact O-CB 3.38Å; V113-Q116 PolarHBondContact O-N 3.33Å; V113-D117 WeakPolarHBondContact CG1-OD2 3.32Å; V113-D117 VanDerWaalsContact O-CG 3.23Å; V113-D117 PolarHBondContact O-N 3.42Å |
| 114 | Q | 98.2 | Very high | 98.2 | Very high | 74 Ų | 74 | 71.7 Ų | 71.7 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -31.1 | -179.4 | -74 | 178.4 | 33.6 | 0 | 0 | 114.3 | G110 H111 R118 | G110-Q114 WeakPolarHBondContact O-CB 3.45Å; G110-Q114 VanDerWaalsContact O-CG 3.29Å; G110-Q114 WeakPolarHBondContact O-CG 3.45Å; G110-Q114 PolarHBondContact O-N 2.96Å; H111-Q114 PolarHBondContact O-N 3.13Å; Q114-R118 WeakPolarHBondContact O-CG 3.29Å; Q114-R118 PolarHBondContact O-NH1 3.26Å |
| 115 | L | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.8 | -44.7 | 171.9 | -69.1 | -178 | 0 | 0 | 0 | 110.9 | L20 K24 V35 L50 H111 R112 V113 R118 K119 V120 Y122 | L20-L115 HydrophobicContact CD2-CD1 3.85Å; L20-L115 HydrophobicContact CD2-CD2 4Å; L20-L115 HydrophobicContact CD2-CG 4.23Å; K24-L115 HydrophobicContact CG-CD2 4.3Å; V35-L115 HydrophobicContact CG2-CD2 4.49Å; L50-L115 HydrophobicContact CD2-CD1 3.7Å; H111-L115 WeakPolarHBondContact O-CG 3.35Å; H111-L115 PolarHBondContact O-N 3.38Å; H111-L115 VanDerWaalsContact O-N 3.09Å; R112-L115 PolarHBondContact O-N 3.38Å; V113-L115 VanDerWaalsContact C-N 3.28Å; V113-L115 PolarHBondContact O-N 3.15Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 3.38Å; L115-K119 PolarHBondContact O-N 3.48Å; L115-K119 VanDerWaalsContact O-N 3.16Å; L115-V120 HydrophobicContact CB-CB 4.2Å; L115-V120 HydrophobicContact CD2-CB 3.93Å; L115-V120 HydrophobicContact CD2-CG1 3.88Å; L115-V120 HydrophobicContact CD2-CG2 4.33Å; L115-V120 PolarHBondContact O-N 3.21Å; L115-Y122 HydrophobicContact CD1-CD2 4.3Å; L115-Y122 HydrophobicContact CD1-CG 4.29Å |
| 116 | Q | 97.9 | Very high | 97.9 | Very high | 146 Ų | 146 | 72.2 Ų | 72.2 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 178.1 | -177.8 | 176.4 | -2.3 | 0 | 0 | 112.2 | R112 V113 R118 K119 | R112-Q116 PolarHBondContact O-N 3.23Å; V113-Q116 WeakPolarHBondContact O-CB 3.38Å; V113-Q116 PolarHBondContact O-N 3.33Å; Q116-R118 PolarHBondContact O-N 2.89Å; Q116-K119 WeakPolarHBondContact O-CA 3.48Å; Q116-K119 PolarHBondContact O-N 3.11Å |
| 117 | D | 98 | Very high | 97.8 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.9 | -34.3 | 178.9 | -66.2 | -17.3 | 0 | 0 | 0 | 112.1 | V113 K119 | V113-D117 WeakPolarHBondContact CG1-OD2 3.32Å; V113-D117 VanDerWaalsContact O-CG 3.23Å; V113-D117 PolarHBondContact O-N 3.42Å; D117-K119 VanDerWaalsContact C-N 3.32Å |
| 118 | R | 97.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.8 | 177.5 | -68.9 | 174.4 | -177.9 | 69.6 | 3 | 113.3 | A27 Q114 L115 Q116 V120 | A27-R118 HydrophobicContact CB-CB 4.06Å; Q114-R118 WeakPolarHBondContact O-CG 3.29Å; Q114-R118 PolarHBondContact O-NH1 3.26Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 3.38Å; Q116-R118 PolarHBondContact O-N 2.89Å; R118-V120 HydrophobicContact CB-CG2 4.06Å; R118-V120 PolarHBondContact O-N 3.01Å; R118-V120 VanDerWaalsContact O-N 3.13Å |
| 119 | K | 98.2 | Very high | 97.5 | Very high | 191 Ų | 191 | 70.2 Ų | 70.2 | 83% | 0.83 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25.8 | -177.7 | -52.2 | 177.3 | -176.3 | 174.9 | 0 | 113.5 | L115 Q116 D117 | L115-K119 PolarHBondContact O-N 3.48Å; L115-K119 VanDerWaalsContact O-N 3.16Å; Q116-K119 WeakPolarHBondContact O-CA 3.48Å; Q116-K119 PolarHBondContact O-N 3.11Å; D117-K119 VanDerWaalsContact C-N 3.32Å |
| 120 | V | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 124.4 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | A23 A27 V33 V35 L115 R118 Y122 | A23-V120 HydrophobicContact CB-CG1 4.36Å; A27-V120 HydrophobicContact CB-CG2 3.46Å; A27-V120 VanDerWaalsContact CB-CG2 3.46Å; V33-V120 HydrophobicContact CB-CG1 4.17Å; V33-V120 HydrophobicContact CB-CG2 4.26Å; V33-V120 HydrophobicContact CG1-CG1 4.05Å; V35-V120 HydrophobicContact CG2-CG1 3.74Å; L115-V120 HydrophobicContact CB-CB 4.2Å; L115-V120 HydrophobicContact CD2-CB 3.93Å; L115-V120 HydrophobicContact CD2-CG1 3.88Å; L115-V120 HydrophobicContact CD2-CG2 4.33Å; L115-V120 PolarHBondContact O-N 3.21Å; R118-V120 HydrophobicContact CB-CG2 4.06Å; R118-V120 PolarHBondContact O-N 3.01Å; R118-V120 VanDerWaalsContact O-N 3.13Å; V120-Y122 PolarHBondContact O-N 2.86Å |
| 121 | K | 98.4 | Very high | 97.2 | Very high | 119 Ų | 119 | 68.3 Ų | 68.3 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.8 | 179.1 | -168.3 | 67.9 | 177.6 | -175.7 | 0 | 110 | Y8 V33 A34 V35 F123 | Y8-K121 HydrophobicContact CE1-CB 4.09Å; V33-K121 PolarHBondContact O-N 3.47Å; A34-K121 CarbonylContact C-O 3.49Å; A34-K121 VanDerWaalsContact CA-O 3.31Å; A34-K121 WeakPolarHBondContact CA-O 3.42Å; V35-K121 PolarHBondContact N-O 3.25Å; K121-F123 HydrophobicContact CB-CE2 3.91Å; K121-F123 HydrophobicContact CB-CZ 4.46Å; K121-F123 HydrophobicContact CD-CZ 4.48Å; K121-F123 HydrophobicContact CG-CD2 4.04Å; K121-F123 HydrophobicContact CG-CE1 4.31Å; K121-F123 HydrophobicContact CG-CE2 3.29Å; K121-F123 HydrophobicContact CG-CZ 3.45Å; K121-F123 VanDerWaalsContact CG-CZ 3.45Å |
| 122 | Y | 98.3 | Very high | 97 | Very high | 54 Ų | 54 | 74 Ų | 74 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.1 | 175.7 | 174.7 | -122 | 0 | 0 | 0 | 111.6 | D37 L50 L115 V120 N124 | D37-Y122 HydrophobicContact CB-CE2 3.69Å; L50-Y122 HydrophobicContact CD1-CD2 4.23Å; L50-Y122 HydrophobicContact CD1-CE2 3.59Å; L50-Y122 HydrophobicContact CD2-CD2 4.41Å; L50-Y122 HydrophobicContact CD2-CE2 4.32Å; L50-Y122 HydrophobicContact CG-CE2 4.47Å; L115-Y122 HydrophobicContact CD1-CD2 4.3Å; L115-Y122 HydrophobicContact CD1-CG 4.29Å; V120-Y122 PolarHBondContact O-N 2.86Å; Y122-N124 HydrophobicContact CE1-CB 4.12Å |
| 123 | F | 97.3 | Very high | 96.9 | Very high | 32 Ų | 32 | 71.6 Ų | 71.6 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.3 | 174.1 | -63.7 | -88.9 | 0 | 0 | 0 | 110.4 | Y8 A34 V35 V36 D37 K121 I125 L147 | Y8-F123 WeakPolarHBondContact OH-CE2 3.48Å; Y8-F123 WeakPolarHBondContact OH-CZ 3.34Å; A34-F123 HydrophobicContact CB-CD2 4.31Å; A34-F123 HydrophobicContact CB-CE2 4.02Å; V35-F123 PolarHBondContact O-N 2.89Å; V36-F123 WeakPolarHBondContact CA-O 3.28Å; V36-F123 HydrophobicContact CG1-CB 3.95Å; V36-F123 HydrophobicContact CG1-CD2 4.42Å; D37-F123 PolarHBondContact N-O 3.45Å; K121-F123 HydrophobicContact CB-CE2 3.91Å; K121-F123 HydrophobicContact CB-CZ 4.46Å; K121-F123 HydrophobicContact CD-CZ 4.48Å; K121-F123 HydrophobicContact CG-CD2 4.04Å; K121-F123 HydrophobicContact CG-CE1 4.31Å; K121-F123 HydrophobicContact CG-CE2 3.29Å; K121-F123 HydrophobicContact CG-CZ 3.45Å; K121-F123 VanDerWaalsContact CG-CZ 3.45Å; F123-I125 HydrophobicContact CB-CD1 3.75Å; F123-I125 HydrophobicContact CB-CG1 3.87Å; F123-I125 HydrophobicContact CB-CG2 4.43Å; F123-I125 HydrophobicContact CD1-CD1 4.36Å; F123-I125 HydrophobicContact CG-CD1 4.24Å; F123-I125 PolarHBondContact O-N 2.94Å; F123-L147 HydrophobicContact CD2-CD1 4.07Å; F123-L147 HydrophobicContact CE1-CD2 4.31Å; F123-L147 HydrophobicContact CE2-CD1 4.22Å; F123-L147 HydrophobicContact CE2-CD2 4.03Å; F123-L147 HydrophobicContact CG-CD1 4.37Å; F123-L147 HydrophobicContact CZ-CD2 3.85Å |
| 124 | N | 96.6 | Very high | 96.7 | Very high | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 74.9 | 173.7 | -173.9 | 18.2 | 0 | 0 | 0 | 110.2 | D37 Y122 | D37-N124 CarbonylContact O-C 3.56Å; D37-N124 VanDerWaalsContact O-CA 3.27Å; D37-N124 WeakPolarHBondContact O-CA 3.49Å; D37-N124 PolarHBondContact O-OD1 3.34Å; Y122-N124 HydrophobicContact CE1-CB 4.12Å |
| 125 | I | 95.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.1 | -171.4 | 66.4 | -173.4 | 0 | 0 | 0 | 111 | V36 D37 Y38 F123 A127 V138 A139 I145 L147 | V36-I125 HydrophobicContact CB-CG1 4.17Å; V36-I125 HydrophobicContact CG1-CD1 3.92Å; V36-I125 HydrophobicContact CG1-CG1 3.89Å; D37-I125 PolarHBondContact O-N 2.98Å; Y38-I125 WeakPolarHBondContact CB-O 3.45Å; F123-I125 HydrophobicContact CB-CD1 3.75Å; F123-I125 HydrophobicContact CB-CG1 3.87Å; F123-I125 HydrophobicContact CB-CG2 4.43Å; F123-I125 HydrophobicContact CD1-CD1 4.36Å; F123-I125 HydrophobicContact CG-CD1 4.24Å; F123-I125 PolarHBondContact O-N 2.94Å; I125-A127 PolarHBondContact O-N 2.77Å; I125-V138 WeakPolarHBondContact CA-O 3.43Å; I125-A139 HydrophobicContact CG2-CB 3.77Å; I125-I145 HydrophobicContact CD1-CB 4.31Å; I125-I145 HydrophobicContact CD1-CD1 4.46Å; I125-I145 HydrophobicContact CG2-CD1 4.31Å; I125-L147 HydrophobicContact CD1-CD1 4.05Å |
| 126 | K | 95.2 | Very high | 96.5 | Very high | 110 Ų | 110 | 68.1 Ų | 68.1 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.1 | 176.7 | -172.7 | 174.7 | -178.9 | 171.3 | 0 | 109.4 | Y38 E40 G137 V138 | Y38-K126 HydrophobicContact CD1-CB 3.72Å; Y38-K126 HydrophobicContact CD1-CD 4.08Å; Y38-K126 HydrophobicContact CD1-CG 3.96Å; Y38-K126 HydrophobicContact CD2-CB 4.18Å; Y38-K126 HydrophobicContact CE1-CB 4.13Å; Y38-K126 HydrophobicContact CE1-CD 4.06Å; Y38-K126 HydrophobicContact CE1-CG 4.4Å; Y38-K126 HydrophobicContact CG-CB 3.73Å; Y38-K126 HydrophobicContact CG-CG 4.39Å; E40-K126 WeakPolarHBondContact OE2-CE 3.38Å; E40-K126 IonicContact OE2-NZ 3.91Å; E40-K126 PolarHBondContact OE2-NZ 3.45Å; K126-G137 CarbonylContact O-C 3.57Å; K126-G137 VanDerWaalsContact O-CA 3.29Å; K126-G137 WeakPolarHBondContact O-CA 3.43Å; K126-V138 PolarHBondContact N-O 3.04Å; K126-V138 PolarHBondContact O-N 3.05Å |
| 127 | A | 95.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.4 | V13 V36 I125 V135 C136 | V13-A127 HydrophobicContact CG1-CB 4.01Å; V36-A127 HydrophobicContact CB-CB 4.34Å; V36-A127 HydrophobicContact CG2-CB 3.69Å; I125-A127 PolarHBondContact O-N 2.77Å; A127-V135 HydrophobicContact CB-CG1 3.49Å; A127-V135 VanDerWaalsContact CB-CG1 3.49Å; A127-C136 CarbonylContact C-O 3.57Å; A127-C136 WeakPolarHBondContact CA-O 3.43Å |
| 128 | S | 95.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.1 | 166.8 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | V135 C136 | S128-V135 WeakPolarHBondContact O-CA 3.27Å; S128-C136 PolarHBondContact N-O 3.1Å; S128-C136 PolarHBondContact O-N 3.26Å |
| 129 | F | 96.5 | Very high | 95.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.2 | 177.4 | -74.9 | -89 | 0 | 0 | 0 | 110.8 | D131 V135 I152 I154 C291 T294 | F129-D131 WeakPolarHBondContact CD1-O 3.47Å; F129-V135 HydrophobicContact CD1-CG2 3.97Å; F129-V135 HydrophobicContact CE1-CG2 4.03Å; F129-V135 HydrophobicContact CG-CG2 4.44Å; F129-V135 HydrophobicContact CZ-CG2 4.49Å; F129-I152 HydrophobicContact CD1-CD1 4.42Å; F129-I152 HydrophobicContact CE1-CB 4.36Å; F129-I152 HydrophobicContact CE1-CD1 3.7Å; F129-I152 HydrophobicContact CE1-CG2 3.83Å; F129-I152 HydrophobicContact CZ-CG2 3.68Å; F129-I154 HydrophobicContact CE2-CD1 3.7Å; F129-I154 HydrophobicContact CE2-CG1 4.02Å; F129-I154 HydrophobicContact CZ-CD1 3.82Å; F129-I154 HydrophobicContact CZ-CG1 3.91Å; F129-C291 HydrophobicContact CD2-CB 4.15Å; F129-C291 HydrophobicContact CE2-CB 4.11Å; F129-T294 PolarHBondContact O-OG1 3.07Å |
| 130 | V | 95.5 | Very high | 94.1 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -92.6 | -43.3 | 167.5 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | T134 C136 L146 | V130-T134 HydrophobicContact CB-CG2 4.38Å; V130-T134 PolarHBondContact N-O 3.42Å; V130-C136 HydrophobicContact CG2-CB 3.54Å; V130-L146 HydrophobicContact CG2-CD2 4.04Å |
| 131 | D | 94.4 | Very high | 93 | Very high | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -150.2 | -169.7 | 175.5 | 60 | 53.5 | 0 | 0 | 0 | 109.9 | F129 H133 T134 | F129-D131 WeakPolarHBondContact CD1-O 3.47Å; D131-H133 PolarHBondContact O-N 3.05Å; D131-H133 WeakPolarHBondContact OD1-CA 3.5Å; D131-H133 PolarHBondContact OD1-N 2.86Å; D131-T134 PolarHBondContact N-O 2.86Å; D131-T134 VanDerWaalsContact OD1-CB 3.3Å; D131-T134 WeakPolarHBondContact OD1-CB 3.29Å; D131-T134 PolarHBondContact OD1-N 2.96Å; D131-T134 PolarHBondContact OD1-OG1 3.44Å; D131-T134 VanDerWaalsContact OD1-OG1 3.07Å; D131-T134 WeakPolarHBondContact OD2-CB 3.2Å; D131-T134 PolarHBondContact OD2-OG1 3.35Å; D131-T134 VanDerWaalsContact OD2-OG1 3.09Å |
| 132 | E | 94.6 | Very high | 92.4 | Very high | 153 Ų | 153 | 55.9 Ų | 55.9 | 72% | 0.715 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -63.7 | -18.2 | -177.8 | 55.7 | 173.8 | -167.2 | 0 | 0 | 115.1 | ||
| 133 | H | 95.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -131.3 | -2 | -172.1 | -67 | -39.9 | 0 | 0 | 0 | 114 | R6 D131 S148 A149 | R6-H133 PolarHBondContact NH1-CD2 3.15Å; R6-H133 PolarHBondContact NH1-CE1 3.39Å; R6-H133 PolarHBondContact NH1-ND1 3.3Å; R6-H133 PolarHBondContact NH1-NE2 3.48Å; R6-H133 PolarHBondContact NH2-CD2 2.89Å; R6-H133 PolarHBondContact NH2-NE2 3.44Å; D131-H133 PolarHBondContact O-N 3.05Å; D131-H133 WeakPolarHBondContact OD1-CA 3.5Å; D131-H133 PolarHBondContact OD1-N 2.86Å; H133-S148 VanDerWaalsContact O-CA 3.27Å; H133-S148 WeakPolarHBondContact O-CA 3.34Å; H133-A149 PolarHBondContact O-N 3.45Å |
| 134 | T | 95.5 | Very high | 91.7 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.3 | -177.2 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | V130 D131 L146 L147 | V130-T134 HydrophobicContact CB-CG2 4.38Å; V130-T134 PolarHBondContact N-O 3.42Å; D131-T134 PolarHBondContact N-O 2.86Å; D131-T134 VanDerWaalsContact OD1-CB 3.3Å; D131-T134 WeakPolarHBondContact OD1-CB 3.29Å; D131-T134 PolarHBondContact OD1-N 2.96Å; D131-T134 PolarHBondContact OD1-OG1 3.44Å; D131-T134 VanDerWaalsContact OD1-OG1 3.07Å; D131-T134 WeakPolarHBondContact OD2-CB 3.2Å; D131-T134 PolarHBondContact OD2-OG1 3.35Å; D131-T134 VanDerWaalsContact OD2-OG1 3.09Å; T134-L146 HydrophobicContact CG2-CB 4.42Å; T134-L146 HydrophobicContact CG2-CD2 4.22Å; T134-L147 WeakPolarHBondContact CA-O 3.46Å |
| 135 | V | 96 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.7 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 109.2 | L11 V13 A127 S128 F129 L147 I152 | L11-V135 HydrophobicContact CD2-CB 3.76Å; L11-V135 HydrophobicContact CD2-CG1 4.44Å; L11-V135 HydrophobicContact CD2-CG2 3.68Å; V13-V135 HydrophobicContact CG2-CG2 4.33Å; A127-V135 HydrophobicContact CB-CG1 3.49Å; A127-V135 VanDerWaalsContact CB-CG1 3.49Å; S128-V135 WeakPolarHBondContact O-CA 3.27Å; F129-V135 HydrophobicContact CD1-CG2 3.97Å; F129-V135 HydrophobicContact CE1-CG2 4.03Å; F129-V135 HydrophobicContact CG-CG2 4.44Å; F129-V135 HydrophobicContact CZ-CG2 4.49Å; V135-L147 PolarHBondContact N-O 3.09Å; V135-L147 PolarHBondContact O-N 2.92Å; V135-I152 HydrophobicContact CG2-CD1 4.27Å |
| 136 | C | 95.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 68.2 Ų | 68.2 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.3 | 166.1 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | A127 S128 V130 L146 | A127-C136 CarbonylContact C-O 3.57Å; A127-C136 WeakPolarHBondContact CA-O 3.43Å; S128-C136 PolarHBondContact N-O 3.1Å; S128-C136 PolarHBondContact O-N 3.26Å; V130-C136 HydrophobicContact CG2-CB 3.54Å; C136-L146 HydrophobicContact CB-CD2 3.81Å |
| 137 | G | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K126 I145 | K126-G137 CarbonylContact O-C 3.57Å; K126-G137 VanDerWaalsContact O-CA 3.29Å; K126-G137 WeakPolarHBondContact O-CA 3.43Å; G137-I145 PolarHBondContact N-O 2.85Å; G137-I145 PolarHBondContact O-N 3.09Å |
| 138 | V | 91.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.6 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | I125 K126 E144 | I125-V138 WeakPolarHBondContact CA-O 3.43Å; K126-V138 PolarHBondContact N-O 3.04Å; K126-V138 PolarHBondContact O-N 3.05Å; V138-E144 HydrophobicContact CG2-CG 4.48Å |
| 139 | A | 83.6 | Confident | 91.8 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 163.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I125 G141 G142 K143 | I125-A139 HydrophobicContact CG2-CB 3.77Å; A139-G141 PolarHBondContact O-N 3.03Å; A139-G142 PolarHBondContact O-N 2.76Å; A139-K143 HydrophobicContact CB-CB 4.44Å; A139-K143 PolarHBondContact N-O 3.01Å |
| 140 | K | 75 | Confident | 91.9 | Very high | 181 Ų | 181 | 63.5 Ų | 63.5 | 79% | 0.787 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 113.8 | 171.6 | -167.1 | -179.9 | 179.8 | -171 | 0 | 109.1 | ||
| 141 | G | 75.9 | Confident | 92 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 86% | 0.856 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.9 | 4.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | A139 K143 | A139-G141 PolarHBondContact O-N 3.03Å; G141-K143 VanDerWaalsContact C-N 3.31Å; G141-K143 PolarHBondContact O-N 3.38Å |
| 142 | G | 84.1 | Confident | 92.2 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 82.8 | 2.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A139 E144 | A139-G142 PolarHBondContact O-N 2.76Å; G142-E144 PolarHBondContact O-N 3.14Å |
| 143 | K | 88.6 | Confident | 92.3 | Very high | 151 Ų | 151 | 60.2 Ų | 60.2 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | trans | -68.6 | 119.9 | 174.2 | -177.8 | 178.1 | 179.5 | 178.1 | 0 | 109.8 | A139 G141 | A139-K143 HydrophobicContact CB-CB 4.44Å; A139-K143 PolarHBondContact N-O 3.01Å; G141-K143 VanDerWaalsContact C-N 3.31Å; G141-K143 PolarHBondContact O-N 3.38Å | ||
| 144 | E | 93.1 | Very high | 92.4 | Very high | 140 Ų | 140 | 62.5 Ų | 62.5 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 142.1 | 173.6 | -63.4 | -175.6 | 169.8 | 0 | 0 | 111.1 | V138 G142 | V138-E144 HydrophobicContact CG2-CG 4.48Å; G142-E144 PolarHBondContact O-N 3.14Å |
| 145 | I | 93.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 118.6 | 176.5 | -56.4 | 177 | 0 | 0 | 0 | 106.9 | I125 G137 L147 | I125-I145 HydrophobicContact CD1-CB 4.31Å; I125-I145 HydrophobicContact CD1-CD1 4.46Å; I125-I145 HydrophobicContact CG2-CD1 4.31Å; G137-I145 PolarHBondContact N-O 2.85Å; G137-I145 PolarHBondContact O-N 3.09Å; I145-L147 HydrophobicContact CG2-CD2 3.86Å; I145-L147 HydrophobicContact CG2-CG 4.15Å |
| 146 | L | 95.8 | Very high | 92.6 | Very high | 108 Ų | 108 | 64.9 Ų | 64.9 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.7 | 171.3 | -64.4 | 174.8 | 0 | 0 | 0 | 109.3 | V130 T134 C136 | V130-L146 HydrophobicContact CG2-CD2 4.04Å; T134-L146 HydrophobicContact CG2-CB 4.42Å; T134-L146 HydrophobicContact CG2-CD2 4.22Å; C136-L146 HydrophobicContact CB-CD2 3.81Å |
| 147 | L | 96.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.3 | 177.4 | -58.9 | 173.3 | 0 | 0 | 0 | 108.4 | Y8 L11 V36 F123 I125 T134 V135 I145 | Y8-L147 HydrophobicContact CE2-CD2 3.98Å; L11-L147 HydrophobicContact CD1-CD1 4.18Å; L11-L147 HydrophobicContact CD2-CB 4.18Å; V36-L147 HydrophobicContact CG1-CD1 3.44Å; V36-L147 VanDerWaalsContact CG1-CD1 3.44Å; F123-L147 HydrophobicContact CD2-CD1 4.07Å; F123-L147 HydrophobicContact CE1-CD2 4.31Å; F123-L147 HydrophobicContact CE2-CD1 4.22Å; F123-L147 HydrophobicContact CE2-CD2 4.03Å; F123-L147 HydrophobicContact CG-CD1 4.37Å; F123-L147 HydrophobicContact CZ-CD2 3.85Å; I125-L147 HydrophobicContact CD1-CD1 4.05Å; T134-L147 WeakPolarHBondContact CA-O 3.46Å; V135-L147 PolarHBondContact N-O 3.09Å; V135-L147 PolarHBondContact O-N 2.92Å; I145-L147 HydrophobicContact CG2-CD2 3.86Å; I145-L147 HydrophobicContact CG2-CG 4.15Å |
| 148 | S | 97.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 67.6 Ų | 67.6 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.4 | 174.2 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | D7 Y8 H133 | D7-S148 WeakPolarHBondContact CB-O 3.38Å; D7-S148 VanDerWaalsContact CG-OG 3.25Å; D7-S148 PolarHBondContact N-O 3.33Å; D7-S148 PolarHBondContact N-OG 3.39Å; D7-S148 PolarHBondContact OD2-N 3.26Å; D7-S148 PolarHBondContact OD2-OG 3.25Å; Y8-S148 PolarHBondContact N-O 3.15Å; H133-S148 VanDerWaalsContact O-CA 3.27Å; H133-S148 WeakPolarHBondContact O-CA 3.34Å |
| 149 | A | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R6 Y8 L11 H133 I152 | R6-A149 WeakPolarHBondContact CD-O 3.35Å; R6-A149 PolarHBondContact NH1-O 2.81Å; Y8-A149 CarbonylContact O-C 3.56Å; Y8-A149 WeakPolarHBondContact O-CA 3.31Å; Y8-A149 WeakPolarHBondContact O-CB 3.41Å; L11-A149 HydrophobicContact CB-CB 3.47Å; L11-A149 VanDerWaalsContact CB-CB 3.47Å; H133-A149 PolarHBondContact O-N 3.45Å; A149-I152 HydrophobicContact CB-CG1 4.34Å |
| 150 | D | 97.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -46.2 | 177.7 | -70 | -25.2 | 0 | 0 | 0 | 111.3 | R6 Y8 D9 | R6-D150 WeakPolarHBondContact CD-OD1 3.42Å; R6-D150 IonicContact CZ-OD1 2.82Å; R6-D150 IonicContact NE-OD1 3.23Å; R6-D150 PolarHBondContact NH1-O 3.06Å; Y8-D150 PolarHBondContact O-N 3.15Å; D9-D150 WeakPolarHBondContact O-CB 3.42Å |
| 151 | H | 97.9 | Very high | 94.4 | Very high | 132 Ų | 132 | 65.8 Ų | 65.8 | 61% | 0.611 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.6 | 175.8 | -57.9 | -67.3 | 0 | 0 | 0 | 111 | D9 L10 L11 | D9-H151 PolarHBondContact O-N 3.03Å; D9-H151 VanDerWaalsContact O-N 3.09Å; L10-H151 WeakPolarHBondContact CA-O 3.37Å; L10-H151 HydrophobicContact CD1-CB 3.99Å; L11-H151 PolarHBondContact N-O 2.81Å |
| 152 | I | 98.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.205 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.1 | 176.7 | -56.4 | 176.2 | 0 | 0 | 0 | 109.2 | L11 V13 F129 V135 A149 | L11-I152 HydrophobicContact CB-CG1 4.35Å; L11-I152 VanDerWaalsContact O-CA 3.3Å; L11-I152 WeakPolarHBondContact O-CA 3.46Å; V13-I152 HydrophobicContact CG2-CG2 3.95Å; F129-I152 HydrophobicContact CD1-CD1 4.42Å; F129-I152 HydrophobicContact CE1-CB 4.36Å; F129-I152 HydrophobicContact CE1-CD1 3.7Å; F129-I152 HydrophobicContact CE1-CG2 3.83Å; F129-I152 HydrophobicContact CZ-CG2 3.68Å; V135-I152 HydrophobicContact CG2-CD1 4.27Å; A149-I152 HydrophobicContact CB-CG1 4.34Å |
| 153 | I | 98.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 61 Ų | 61 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.1 | 174.4 | -71.6 | 174.3 | 0 | 0 | 0 | 109.3 | L10 L11 V12 V13 C22 A155 | L10-I153 HydrophobicContact CD1-CB 4.49Å; L10-I153 HydrophobicContact CD1-CD1 3.78Å; L10-I153 HydrophobicContact CD1-CG1 3.92Å; L10-I153 HydrophobicContact CD2-CD1 4.36Å; L11-I153 PolarHBondContact O-N 2.96Å; V12-I153 HydrophobicContact CG1-CG2 4.47Å; V12-I153 HydrophobicContact CG2-CB 4.47Å; V13-I153 PolarHBondContact N-O 3.34Å; C22-I153 HydrophobicContact CB-CD1 4.42Å; C22-I153 WeakPolarHBondContact SG-CD1 3.49Å; I153-A155 HydrophobicContact CG2-CB 4.4Å |
| 154 | I | 98 | Very high | 95.6 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 52% | 0.518 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.5 | 175.5 | -54.3 | 173.4 | 0 | 0 | 0 | 108.4 | F129 T156 | F129-I154 HydrophobicContact CE2-CD1 3.7Å; F129-I154 HydrophobicContact CE2-CG1 4.02Å; F129-I154 HydrophobicContact CZ-CD1 3.82Å; F129-I154 HydrophobicContact CZ-CG1 3.91Å; I154-T156 HydrophobicContact CG2-CG2 4.3Å |
| 155 | A | 97.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | trans | -135.6 | 37.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 V13 I153 G157 | V12-A155 HydrophobicContact CG1-CB 4.4Å; V13-A155 CarbonylContact O-C 3.52Å; V13-A155 WeakPolarHBondContact O-CA 3.37Å; V13-A155 PolarHBondContact O-N 3.39Å; I153-A155 HydrophobicContact CG2-CB 4.4Å; A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 2.96Å | ||
| 156 | T | 97 | Very high | 95.7 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | trans | -72.4 | -17.2 | -173.8 | 48.9 | 0 | 0 | 0 | 0 | 115 | V13 I154 S289 C291 | V13-T156 HydrophobicContact CG1-CG2 3.94Å; V13-T156 PolarHBondContact O-N 3.06Å; I154-T156 HydrophobicContact CG2-CG2 4.3Å; T156-S289 PolarHBondContact OG1-O 3.48Å; T156-C291 WeakPolarHBondContact CG2-SG 3.29Å | ||
| 157 | G | 95.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | trans | 67.8 | -143.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A155 S289 | A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 2.96Å; G157-S289 PolarHBondContact O-N 3.02Å | ||
| 158 | G | 93.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C287 | G158-C287 CarbonylContact C-O 3.55Å; G158-C287 WeakPolarHBondContact CA-O 3.36Å |
| 159 | R | 96.1 | Very high | 95.8 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.1 | -178.5 | -65.2 | -64.6 | -66.1 | -81.7 | 0.7 | 111.2 | E40 D177 P286 C287 | E40-R159 PolarHBondContact O-NH1 3.06Å; E40-R159 PolarHBondContact O-NH2 3.28Å; E40-R159 VanDerWaalsContact O-NH2 3.16Å; R159-D177 IonicContact CZ-OD2 3.17Å; R159-D177 IonicContact NE-OD2 3.14Å; R159-D177 PolarHBondContact NE-OD2 3.18Å; R159-D177 IonicContact NH2-OD2 2.68Å; R159-D177 PolarHBondContact NH2-OD2 3.32Å; R159-P286 WeakPolarHBondContact O-CA 3.2Å; R159-P286 WeakPolarHBondContact O-CB 3.19Å; R159-C287 PolarHBondContact N-O 2.93Å; R159-C287 PolarHBondContact O-N 2.85Å |
| 160 | P | 95.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 145.6 | 173.8 | -26.3 | 37.1 | 0 | 0 | 0 | 112 | T175 D177 | P160-T175 VanDerWaalsContact CB-CB 3.47Å; P160-T175 HydrophobicContact CB-CG2 3.55Å; P160-T175 HydrophobicContact CG-CG2 4.35Å; P160-D177 VanDerWaalsContact CD-CG 3.45Å; P160-D177 VanDerWaalsContact CD-OD1 3.31Å; P160-D177 WeakPolarHBondContact CD-OD1 3.39Å; P160-D177 WeakPolarHBondContact CD-OD2 3.45Å; P160-D177 HydrophobicContact CG-CB 4.37Å; P160-D177 WeakPolarHBondContact CG-OD1 3.47Å |
| 161 | R | 92.6 | Very high | 95.7 | Very high | 145 Ų | 145 | 66.8 Ų | 66.8 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 137.9 | 176.9 | -179 | 178.2 | 178.4 | 175.9 | 1.6 | 110 | I284 A285 | R161-I284 HydrophobicContact CB-CD1 4.42Å; R161-I284 HydrophobicContact CB-CG1 4.23Å; R161-I284 HydrophobicContact CG-CD1 4.22Å; R161-I284 WeakPolarHBondContact O-CD1 3.25Å; R161-I284 WeakPolarHBondContact O-CG1 3.48Å; R161-A285 WeakPolarHBondContact CB-O 3.49Å |
| 162 | Y | 93.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 144.2 | 167.2 | -80 | -98.6 | 0 | 0 | 0 | 111 | P43 T164 A169 L170 G173 T175 W282 | P43-Y162 HydrophobicContact CG-CD2 4.17Å; P43-Y162 HydrophobicContact CG-CE2 3.59Å; Y162-T164 PolarHBondContact O-N 3.05Å; Y162-T164 VanDerWaalsContact O-N 3.17Å; Y162-A169 WeakPolarHBondContact CD1-O 3.41Å; Y162-A169 WeakPolarHBondContact CE1-O 3.15Å; Y162-L170 HydrophobicContact CD1-CB 4.48Å; Y162-L170 HydrophobicContact CD1-CD1 3.86Å; Y162-L170 HydrophobicContact CD2-CD1 4.01Å; Y162-L170 HydrophobicContact CE1-CD1 4.2Å; Y162-L170 HydrophobicContact CE2-CD1 4.36Å; Y162-L170 HydrophobicContact CG-CD1 3.73Å; Y162-G173 WeakPolarHBondContact CE1-O 3.31Å; Y162-G173 PolarHBondContact OH-O 2.82Å; Y162-T175 HydrophobicContact CD2-CG2 4.03Å; Y162-T175 HydrophobicContact CE1-CG2 4.21Å; Y162-T175 HydrophobicContact CE2-CG2 3.31Å; Y162-T175 VanDerWaalsContact CZ-CG2 3.44Å; Y162-W282 AromaticContact CD1-CD1 3.58Å; Y162-W282 HydrophobicContact CD1-CG 4.41Å; Y162-W282 AromaticContact CD1-NE1 3.92Å; Y162-W282 AromaticContact CE1-CD1 3.5Å; Y162-W282 AromaticContact CE1-NE1 3.96Å |
| 163 | P | 92.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | trans | -77.7 | 98 | 172.3 | 30.6 | -30.6 | 0 | 0 | 0 | 110.1 | H165 I166 A169 W282 I284 | P163-H165 PolarHBondContact O-N 3.34Å; P163-I166 HydrophobicContact CB-CB 4.36Å; P163-I166 HydrophobicContact CB-CD1 3.7Å; P163-I166 HydrophobicContact CB-CG1 4.02Å; P163-I166 HydrophobicContact CG-CB 4.28Å; P163-I166 HydrophobicContact CG-CD1 3.77Å; P163-I166 HydrophobicContact CG-CG1 4.31Å; P163-I166 PolarHBondContact O-N 2.86Å; P163-A169 HydrophobicContact CG-CB 3.79Å; P163-W282 HydrophobicContact CG-CD2 3.91Å; P163-W282 HydrophobicContact CG-CE3 3.69Å; P163-W282 HydrophobicContact CG-CH2 4.02Å; P163-W282 HydrophobicContact CG-CZ2 4.2Å; P163-W282 HydrophobicContact CG-CZ3 3.73Å; P163-I284 HydrophobicContact CB-CD1 4.09Å; P163-I284 HydrophobicContact CG-CD1 4.27Å | ||
| 164 | T | 89 | Confident | 95.7 | Very high | 133 Ų | 133 | 59.5 Ų | 59.5 | 82% | 0.816 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.4 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | Y162 | Y162-T164 PolarHBondContact O-N 3.05Å; Y162-T164 VanDerWaalsContact O-N 3.17Å |
| 165 | H | 92.9 | Very high | 95.7 | Very high | 153 Ų | 153 | 54.8 Ų | 54.8 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.7 | 178.1 | 58 | -78.1 | 0 | 0 | 0 | 112.8 | P163 | P163-H165 PolarHBondContact O-N 3.34Š|
| 166 | I | 96.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -99.1 | 115 | -179 | -62.2 | 179.9 | 0 | 0 | 0 | 108.5 | P163 G168 A169 P249 V252 W282 | P163-I166 HydrophobicContact CB-CB 4.36Å; P163-I166 HydrophobicContact CB-CD1 3.7Å; P163-I166 HydrophobicContact CB-CG1 4.02Å; P163-I166 HydrophobicContact CG-CB 4.28Å; P163-I166 HydrophobicContact CG-CD1 3.77Å; P163-I166 HydrophobicContact CG-CG1 4.31Å; P163-I166 PolarHBondContact O-N 2.86Å; I166-G168 PolarHBondContact O-N 3.17Å; I166-A169 HydrophobicContact CB-CB 3.9Å; I166-A169 HydrophobicContact CG2-CB 3.9Å; I166-A169 VanDerWaalsContact O-CB 3.29Å; I166-A169 WeakPolarHBondContact O-CB 3.19Å; I166-A169 PolarHBondContact O-N 3.06Å; I166-P249 HydrophobicContact CD1-CB 4.06Å; I166-P249 HydrophobicContact CD1-CG 3.73Å; I166-P249 WeakPolarHBondContact CD1-O 3.35Å; I166-V252 HydrophobicContact CG2-CG2 4.49Å; I166-W282 HydrophobicContact CD1-CH2 4.26Å; I166-W282 HydrophobicContact CD1-CZ3 4.35Å; I166-W282 HydrophobicContact CG2-CH2 4.38Å |
| 167 | E | 97.1 | Very high | 95.8 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -58.4 | 134.9 | 174.2 | -174.7 | -167 | 175.3 | 0 | 0 | 110.4 | A169 R251 V252 | E167-A169 PolarHBondContact O-N 3.19Å; E167-R251 HydrophobicContact CB-CG 4.27Å; E167-R251 WeakPolarHBondContact OE2-CD 3.27Å; E167-V252 PolarHBondContact O-N 2.68Å |
| 168 | G | 97.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -7.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I166 L170 E171 Y172 | I166-G168 PolarHBondContact O-N 3.17Å; G168-L170 PolarHBondContact O-N 3.35Å; G168-E171 PolarHBondContact O-N 2.9Å; G168-Y172 WeakPolarHBondContact O-CB 3.3Å; G168-Y172 WeakPolarHBondContact O-CD2 3.25Å; G168-Y172 PolarHBondContact O-N 3.19Å |
| 169 | A | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y162 P163 I166 E167 G173 W282 | Y162-A169 WeakPolarHBondContact CD1-O 3.41Å; Y162-A169 WeakPolarHBondContact CE1-O 3.15Å; P163-A169 HydrophobicContact CG-CB 3.79Å; I166-A169 HydrophobicContact CB-CB 3.9Å; I166-A169 HydrophobicContact CG2-CB 3.9Å; I166-A169 VanDerWaalsContact O-CB 3.29Å; I166-A169 WeakPolarHBondContact O-CB 3.19Å; I166-A169 PolarHBondContact O-N 3.06Å; E167-A169 PolarHBondContact O-N 3.19Å; A169-G173 WeakPolarHBondContact O-CA 3.21Å; A169-G173 PolarHBondContact O-N 3.37Å; A169-G173 VanDerWaalsContact O-N 3.16Å; A169-W282 HydrophobicContact CB-CH2 4.23Å; A169-W282 HydrophobicContact CB-CZ2 3.47Å; A169-W282 VanDerWaalsContact CB-CZ2 3.47Å; A169-W282 PolarHBondContact O-NE1 3.02Å |
| 170 | L | 95.9 | Very high | 96.2 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.3 | -38.3 | 179.8 | -169.8 | 69.9 | 0 | 0 | 0 | 112.3 | P43 Q44 Y162 G168 | P43-L170 HydrophobicContact CB-CD1 3.72Å; P43-L170 HydrophobicContact CB-CG 4.16Å; P43-L170 HydrophobicContact CG-CD1 3.5Å; P43-L170 VanDerWaalsContact CG-CD1 3.5Å; P43-L170 HydrophobicContact CG-CG 4.45Å; Q44-L170 PolarHBondContact NE2-O 2.78Å; Y162-L170 HydrophobicContact CD1-CB 4.48Å; Y162-L170 HydrophobicContact CD1-CD1 3.86Å; Y162-L170 HydrophobicContact CD2-CD1 4.01Å; Y162-L170 HydrophobicContact CE1-CD1 4.2Å; Y162-L170 HydrophobicContact CE2-CD1 4.36Å; Y162-L170 HydrophobicContact CG-CD1 3.73Å; G168-L170 PolarHBondContact O-N 3.35Å |
| 171 | E | 96.7 | Very high | 96.4 | Very high | 125 Ų | 125 | 47.7 Ų | 47.7 | 58% | 0.584 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -75.8 | -46.4 | -174.9 | -169.9 | -179.6 | 151.2 | 0 | 0 | 111.8 | Q44 G168 | Q44-E171 PolarHBondContact NE2-O 3.43Å; G168-E171 PolarHBondContact O-N 2.9Å |
| 172 | Y | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -103.5 | -16.6 | -170.9 | -53.5 | -47.3 | 0 | 0 | 0 | 114.4 | G168 V252 R254 L260 | G168-Y172 WeakPolarHBondContact O-CB 3.3Å; G168-Y172 WeakPolarHBondContact O-CD2 3.25Å; G168-Y172 PolarHBondContact O-N 3.19Å; Y172-V252 HydrophobicContact CD2-CG1 4.11Å; Y172-V252 HydrophobicContact CG-CG1 4.5Å; Y172-R254 HydrophobicContact CD1-CB 4.26Å; Y172-R254 HydrophobicContact CE1-CB 3.94Å; Y172-R254 HydrophobicContact CE2-CB 4.36Å; Y172-L260 HydrophobicContact CD1-CD2 4.48Å; Y172-L260 HydrophobicContact CG-CD2 4.13Å; Y172-L260 WeakPolarHBondContact O-CD1 3.46Å |
| 173 | G | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -93.1 | 148.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q44 Y162 A169 V280 | Q44-G173 PolarHBondContact NE2-O 3.4Å; Q44-G173 VanDerWaalsContact NE2-O 3.14Å; Y162-G173 WeakPolarHBondContact CE1-O 3.31Å; Y162-G173 PolarHBondContact OH-O 2.82Å; A169-G173 WeakPolarHBondContact O-CA 3.21Å; A169-G173 PolarHBondContact O-N 3.37Å; A169-G173 VanDerWaalsContact O-N 3.16Å; G173-V280 WeakPolarHBondContact CA-O 3.46Å | ||
| 174 | I | 98.6 | Very high | 97 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 170.2 | 175.7 | 72.2 | 165.2 | 0 | 0 | 0 | 110.8 | Q44 D178 I179 L182 T279 V280 L281 W282 | Q44-I174 HydrophobicContact CG-CG2 4.33Å; I174-D178 HydrophobicContact CB-CB 3.89Å; I174-D178 HydrophobicContact CG2-CB 4.38Å; I174-I179 HydrophobicContact CD1-CB 4.2Å; I174-L182 HydrophobicContact CD1-CD1 3.84Å; I174-L182 HydrophobicContact CD1-CG 4.5Å; I174-T279 HydrophobicContact CD1-CG2 3.42Å; I174-T279 VanDerWaalsContact CD1-CG2 3.42Å; I174-T279 HydrophobicContact CG1-CG2 3.74Å; I174-V280 WeakPolarHBondContact CG1-O 3.48Å; I174-V280 PolarHBondContact N-O 3.22Å; I174-L281 HydrophobicContact CD1-CD1 4.28Å; I174-L281 HydrophobicContact CG1-CB 4.28Å; I174-L281 HydrophobicContact CG1-CD1 3.93Å; I174-W282 PolarHBondContact O-N 3.36Å |
| 175 | T | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | -177.3 | 173.8 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | P160 Y162 D177 D178 I179 L281 W282 | P160-T175 VanDerWaalsContact CB-CB 3.47Å; P160-T175 HydrophobicContact CB-CG2 3.55Å; P160-T175 HydrophobicContact CG-CG2 4.35Å; Y162-T175 HydrophobicContact CD2-CG2 4.03Å; Y162-T175 HydrophobicContact CE1-CG2 4.21Å; Y162-T175 HydrophobicContact CE2-CG2 3.31Å; Y162-T175 VanDerWaalsContact CZ-CG2 3.44Å; T175-D177 PolarHBondContact O-N 3.44Å; T175-D177 VanDerWaalsContact O-N 3.16Å; T175-D177 WeakPolarHBondContact OG1-CB 3.35Å; T175-D177 PolarHBondContact OG1-N 3.33Å; T175-D178 PolarHBondContact N-OD2 3.5Å; T175-D178 PolarHBondContact O-N 3Å; T175-D178 PolarHBondContact OG1-OD2 2.99Å; T175-D178 VanDerWaalsContact OG1-OD2 3.07Å; T175-I179 PolarHBondContact O-N 2.84Å; T175-I179 VanDerWaalsContact O-N 3.14Å; T175-L281 WeakPolarHBondContact O-CD1 3.45Å; T175-W282 HydrophobicContact CG2-CB 4.25Å |
| 176 | S | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -22.7 | 170.4 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | D178 F180 | S176-D178 PolarHBondContact O-N 3.35Å; S176-F180 WeakPolarHBondContact O-CD2 3.29Å; S176-F180 WeakPolarHBondContact O-CE2 3.41Å |
| 177 | D | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -28 | 175.1 | -73.9 | -2.9 | 0 | 0 | 0 | 112.3 | T46 W48 V57 R159 P160 T175 | T46-D177 WeakPolarHBondContact CG2-O 3.17Å; W48-D177 HydrophobicContact CH2-CB 3.81Å; W48-D177 HydrophobicContact CZ3-CB 3.77Å; V57-D177 WeakPolarHBondContact CG1-O 3.35Å; R159-D177 IonicContact CZ-OD2 3.17Å; R159-D177 IonicContact NE-OD2 3.14Å; R159-D177 PolarHBondContact NE-OD2 3.18Å; R159-D177 IonicContact NH2-OD2 2.68Å; R159-D177 PolarHBondContact NH2-OD2 3.32Å; P160-D177 VanDerWaalsContact CD-CG 3.45Å; P160-D177 VanDerWaalsContact CD-OD1 3.31Å; P160-D177 WeakPolarHBondContact CD-OD1 3.39Å; P160-D177 WeakPolarHBondContact CD-OD2 3.45Å; P160-D177 HydrophobicContact CG-CB 4.37Å; P160-D177 WeakPolarHBondContact CG-OD1 3.47Å; T175-D177 PolarHBondContact O-N 3.44Å; T175-D177 VanDerWaalsContact O-N 3.16Å; T175-D177 WeakPolarHBondContact OG1-CB 3.35Å; T175-D177 PolarHBondContact OG1-N 3.33Å |
| 178 | D | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -102.3 | -39.8 | -170.8 | -53 | -63.7 | 0 | 0 | 0 | 112.3 | S42 T46 I174 T175 S176 F180 W181 L182 | S42-D178 VanDerWaalsContact CB-OD1 3.27Å; S42-D178 WeakPolarHBondContact CB-OD1 3.06Å; S42-D178 PolarHBondContact OG-OD1 3.28Å; T46-D178 WeakPolarHBondContact CB-OD1 3.49Å; T46-D178 PolarHBondContact OG1-OD1 2.93Å; I174-D178 HydrophobicContact CB-CB 3.89Å; I174-D178 HydrophobicContact CG2-CB 4.38Å; T175-D178 PolarHBondContact N-OD2 3.5Å; T175-D178 PolarHBondContact O-N 3Å; T175-D178 PolarHBondContact OG1-OD2 2.99Å; T175-D178 VanDerWaalsContact OG1-OD2 3.07Å; S176-D178 PolarHBondContact O-N 3.35Å; D178-F180 PolarHBondContact O-N 3.44Å; D178-F180 VanDerWaalsContact O-N 3.13Å; D178-W181 CarbonylContact O-C 3.32Å; D178-W181 WeakPolarHBondContact O-CA 3.42Å; D178-W181 PolarHBondContact O-N 3.02Å; D178-L182 PolarHBondContact O-N 2.82Å |
| 179 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.6 | -36.6 | -171 | -168.2 | 163.3 | 0 | 0 | 0 | 113.4 | W93 I174 T175 W181 L182 C201 F204 L205 L281 | W93-I179 HydrophobicContact CH2-CG1 4.34Å; W93-I179 WeakPolarHBondContact CZ2-O 3.49Å; I174-I179 HydrophobicContact CD1-CB 4.2Å; T175-I179 PolarHBondContact O-N 2.84Å; T175-I179 VanDerWaalsContact O-N 3.14Å; I179-W181 PolarHBondContact O-N 3.45Å; I179-L182 HydrophobicContact CG1-CD1 4.45Å; I179-C201 HydrophobicContact CD1-CB 4.48Å; I179-F204 HydrophobicContact CD1-CE2 4.46Å; I179-F204 HydrophobicContact CD1-CZ 3.94Å; I179-F204 HydrophobicContact CG1-CZ 4.31Å; I179-L205 HydrophobicContact CD1-CD1 3.96Å; I179-L205 HydrophobicContact CD1-CD2 4.27Å; I179-L205 HydrophobicContact CD1-CG 4.39Å; I179-L281 HydrophobicContact CB-CD1 4.45Å; I179-L281 HydrophobicContact CD1-CD2 3.82Å |
| 180 | F | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12 | 179.4 | -55.4 | -59.9 | 0 | 0 | 0 | 113.6 | V57 P61 K62 M65 S176 D178 F204 | V57-F180 HydrophobicContact CB-CD2 4.29Å; V57-F180 WeakPolarHBondContact O-CE2 3.49Å; P61-F180 HydrophobicContact CB-CB 3.82Å; P61-F180 HydrophobicContact CB-CD1 3.68Å; P61-F180 HydrophobicContact CB-CD2 4.31Å; P61-F180 HydrophobicContact CB-CE1 4.34Å; P61-F180 HydrophobicContact CB-CG 3.66Å; P61-F180 HydrophobicContact CG-CB 4.13Å; P61-F180 HydrophobicContact CG-CD1 4.13Å; P61-F180 HydrophobicContact CG-CD2 3.91Å; P61-F180 HydrophobicContact CG-CE2 4.37Å; P61-F180 HydrophobicContact CG-CG 3.78Å; K62-F180 HydrophobicContact CB-CE1 4.12Å; K62-F180 HydrophobicContact CB-CZ 3.86Å; M65-F180 HydrophobicContact CE-CB 4.47Å; M65-F180 HydrophobicContact CE-CD1 4.02Å; M65-F180 HydrophobicContact SD-CD1 3.65Å; M65-F180 HydrophobicContact SD-CE1 4.1Å; S176-F180 WeakPolarHBondContact O-CD2 3.29Å; S176-F180 WeakPolarHBondContact O-CE2 3.41Å; D178-F180 PolarHBondContact O-N 3.44Å; D178-F180 VanDerWaalsContact O-N 3.13Å; F180-F204 AromaticContact CE1-CE1 3.91Å; F180-F204 HydrophobicContact CE1-CE1 3.91Å; F180-F204 HydrophobicContact CE1-CZ 4.08Å |
| 181 | W | 98.4 | Very high | 98.3 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 1 | -176.8 | -68.3 | 93.9 | 0 | 0 | 0 | 113.3 | T46 W48 N56 Q101 V104 D178 I179 K183 | T46-W181 HydrophobicContact CG2-CB 3.59Å; T46-W181 HydrophobicContact CG2-CG 3.75Å; W48-W181 HydrophobicContact CB-CH2 4.42Å; W48-W181 HydrophobicContact CB-CZ2 3.68Å; N56-W181 PolarHBondContact O-NE1 3.18Å; Q101-W181 HydrophobicContact CB-CZ3 4.27Å; Q101-W181 HydrophobicContact CG-CD2 4.37Å; Q101-W181 HydrophobicContact CG-CE3 3.79Å; Q101-W181 HydrophobicContact CG-CH2 4.42Å; Q101-W181 HydrophobicContact CG-CZ3 3.83Å; V104-W181 HydrophobicContact CG1-CH2 4.32Å; V104-W181 HydrophobicContact CG1-CZ2 3.94Å; D178-W181 CarbonylContact O-C 3.32Å; D178-W181 WeakPolarHBondContact O-CA 3.42Å; D178-W181 PolarHBondContact O-N 3.02Å; I179-W181 PolarHBondContact O-N 3.45Å; W181-K183 PolarHBondContact O-N 3.3Å |
| 182 | L | 98.3 | Very high | 98.3 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | trans | -60.1 | 130.2 | 175.7 | -69.6 | 175.9 | 0 | 0 | 0 | 110.9 | W93 I174 D178 I179 P186 | W93-L182 HydrophobicContact CZ2-CB 3.97Å; W93-L182 HydrophobicContact CZ2-CD1 4.42Å; W93-L182 PolarHBondContact NE1-O 3.31Å; I174-L182 HydrophobicContact CD1-CD1 3.84Å; I174-L182 HydrophobicContact CD1-CG 4.5Å; D178-L182 PolarHBondContact O-N 2.82Å; I179-L182 HydrophobicContact CG1-CD1 4.45Å; L182-P186 HydrophobicContact CD1-CB 3.86Å; L182-P186 HydrophobicContact CD1-CG 4.44Å | ||
| 183 | K | 96.3 | Very high | 98.3 | Very high | 174 Ų | 174 | 27 Ų | 27 | 76% | 0.757 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -75 | -34.6 | 177.6 | -65.2 | 179.8 | -179.5 | 177.5 | 0 | 112.2 | R94 W181 | R94-K183 WeakPolarHBondContact CG-O 3.46Å; W181-K183 PolarHBondContact O-N 3.3Å |
| 184 | E | 98.1 | Very high | 98.3 | Very high | 102 Ų | 102 | 27.9 Ų | 27.9 | 48% | 0.477 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -111.6 | 158.6 | -179 | -59.1 | -56.3 | 154.9 | 0 | 0 | 110.4 | W93 R94 | W93-E184 PolarHBondContact NE1-O 3.31Å; W93-E184 VanDerWaalsContact NE1-O 3.14Å; R94-E184 IonicContact CZ-OE1 2.65Å; R94-E184 IonicContact CZ-OE2 3.64Å; R94-E184 IonicContact NE-OE1 2.64Å; R94-E184 PolarHBondContact NE-OE1 2.96Å; R94-E184 IonicContact NE-OE2 3.53Å; R94-E184 PolarHBondContact NE-OE2 2.92Å; R94-E184 IonicContact NH2-OE1 2.71Å; R94-E184 PolarHBondContact NH2-OE1 2.65Å; R94-E184 IonicContact NH2-OE2 2.74Å; R94-E184 PolarHBondContact NH2-OE2 3.16Å |
| 185 | S | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | trans | -55.8 | 136.3 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 110 | G187 | S185-G187 PolarHBondContact O-N 2.71Å; S185-G187 PolarHBondContact OG-N 2.73Å | ||
| 186 | P | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | trans | -70.4 | -5.9 | 175.5 | 29.7 | -33.9 | 0 | 0 | 0 | 112.7 | W93 L182 T189 L205 L210 D278 T279 | W93-P186 HydrophobicContact CE3-CG 4.4Å; W93-P186 HydrophobicContact CH2-CG 4.09Å; W93-P186 HydrophobicContact CZ3-CG 3.98Å; L182-P186 HydrophobicContact CD1-CB 3.86Å; L182-P186 HydrophobicContact CD1-CG 4.44Å; P186-T189 PolarHBondContact O-OG1 3.37Å; P186-L205 HydrophobicContact CG-CD2 3.64Å; P186-L210 HydrophobicContact CG-CD1 3.74Å; P186-D278 WeakPolarHBondContact O-CB 3.26Å; P186-T279 VanDerWaalsContact CA-OG1 3.3Å; P186-T279 WeakPolarHBondContact CA-OG1 3.32Å; P186-T279 HydrophobicContact CB-CG2 4.06Å; P186-T279 WeakPolarHBondContact CB-OG1 3.21Å; P186-T279 VanDerWaalsContact O-CB 3.27Å; P186-T279 WeakPolarHBondContact O-CB 3.17Å; P186-T279 PolarHBondContact O-OG1 3.35Å | ||
| 187 | G | 98.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | trans | 60.5 | -145 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S185 T189 D278 | S185-G187 PolarHBondContact O-N 2.71Å; S185-G187 PolarHBondContact OG-N 2.73Å; G187-T189 PolarHBondContact O-N 2.85Å; G187-T189 PolarHBondContact O-OG1 2.9Å; G187-D278 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 188 | K | 98.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 27% | 0.265 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -65.5 | 115.8 | 174.8 | -174.9 | -179.2 | -179.5 | -160.7 | 0 | 109.8 | D211 T276 F277 D278 T279 | K188-D211 CarbonylContact C-O 3.58Å; K188-D211 WeakPolarHBondContact CA-O 3.43Å; K188-D211 HydrophobicContact CB-CB 4.43Å; K188-D211 HydrophobicContact CG-CB 4.01Å; K188-T276 WeakPolarHBondContact CD-O 3.49Å; K188-T276 WeakPolarHBondContact CE-O 3.46Å; K188-T276 PolarHBondContact NZ-O 2.77Å; K188-F277 HydrophobicContact CD-CD1 4.41Å; K188-F277 HydrophobicContact CG-CD1 4.02Å; K188-F277 CarbonylContact O-C 3.59Å; K188-D278 PolarHBondContact N-OD2 2.7Å; K188-D278 PolarHBondContact O-N 2.87Å; K188-T279 PolarHBondContact O-N 3.13Å |
| 189 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | -166.4 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | P186 G187 V191 L205 D211 T212 T213 T279 | P186-T189 PolarHBondContact O-OG1 3.37Å; G187-T189 PolarHBondContact O-N 2.85Å; G187-T189 PolarHBondContact O-OG1 2.9Å; T189-V191 HydrophobicContact CG2-CG2 4.1Å; T189-L205 HydrophobicContact CG2-CD1 3.78Å; T189-D211 PolarHBondContact N-O 3.39Å; T189-T212 WeakPolarHBondContact O-CA 3.43Å; T189-T213 PolarHBondContact O-N 2.9Å; T189-T279 WeakPolarHBondContact CA-O 3.36Å; T189-T279 HydrophobicContact CG2-CG2 4.18Å |
| 190 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.9 | 165.4 | -176.3 | 65.4 | 0 | 0 | 0 | 109.8 | V192 T213 M215 L244 V262 F277 T279 V280 L281 | L190-V192 HydrophobicContact CD2-CG2 3.96Å; L190-V192 HydrophobicContact CG-CG2 4.04Å; L190-T213 CarbonylContact C-O 3.57Å; L190-T213 WeakPolarHBondContact CA-O 3.45Å; L190-T213 HydrophobicContact CD1-CG2 4Å; L190-M215 HydrophobicContact CD1-CB 4.05Å; L190-M215 HydrophobicContact CD1-CE 4.33Å; L190-M215 HydrophobicContact CD2-CE 4.05Å; L190-L244 HydrophobicContact CD1-CD1 4.37Å; L190-V262 HydrophobicContact CD2-CB 4.02Å; L190-V262 HydrophobicContact CD2-CG1 3.8Å; L190-V262 HydrophobicContact CD2-CG2 3.87Å; L190-F277 HydrophobicContact CB-CB 4.41Å; L190-F277 HydrophobicContact CB-CD1 3.64Å; L190-F277 HydrophobicContact CB-CD2 3.9Å; L190-F277 HydrophobicContact CB-CE1 3.78Å; L190-F277 HydrophobicContact CB-CE2 4.02Å; L190-F277 HydrophobicContact CB-CG 3.7Å; L190-F277 HydrophobicContact CB-CZ 3.97Å; L190-F277 HydrophobicContact CD1-CE1 4.09Å; L190-F277 HydrophobicContact CD1-CE2 4.29Å; L190-F277 HydrophobicContact CD1-CZ 3.82Å; L190-F277 HydrophobicContact CD2-CD2 4.25Å; L190-F277 HydrophobicContact CD2-CE2 3.95Å; L190-F277 HydrophobicContact CD2-CZ 4.33Å; L190-F277 HydrophobicContact CG-CE1 4.46Å; L190-F277 HydrophobicContact CG-CE2 4.32Å; L190-F277 HydrophobicContact CG-CZ 4.26Å; L190-T279 PolarHBondContact N-O 2.9Å; L190-V280 HydrophobicContact CB-CG2 4.49Å; L190-V280 CarbonylContact O-C 3.36Å; L190-V280 WeakPolarHBondContact O-CA 3.37Å; L190-L281 PolarHBondContact O-N 3.28Å |
| 191 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.2 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | T189 A198 A202 L205 T212 T213 I214 M215 L281 A283 | T189-V191 HydrophobicContact CG2-CG2 4.1Å; V191-A198 HydrophobicContact CG1-CB 3.91Å; V191-A202 HydrophobicContact CB-CB 4.35Å; V191-A202 HydrophobicContact CG2-CB 3.98Å; V191-L205 HydrophobicContact CG2-CD1 4.4Å; V191-T212 HydrophobicContact CG2-CG2 4.15Å; V191-T213 PolarHBondContact N-O 3.31Å; V191-I214 HydrophobicContact CB-CG1 4.47Å; V191-I214 CarbonylContact O-C 3.59Å; V191-I214 WeakPolarHBondContact O-CA 3.43Å; V191-M215 PolarHBondContact O-N 2.87Å; V191-L281 HydrophobicContact CG1-CD2 4Å; V191-L281 HydrophobicContact CG1-CG 4.4Å; V191-L281 HydrophobicContact CG2-CB 4.28Å; V191-L281 HydrophobicContact CG2-CD2 4Å; V191-A283 HydrophobicContact CG1-CB 4.22Å |
| 192 | V | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.1 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | L190 M215 P249 V280 L281 W282 A283 | L190-V192 HydrophobicContact CD2-CG2 3.96Å; L190-V192 HydrophobicContact CG-CG2 4.04Å; V192-M215 HydrophobicContact CG2-CB 4.43Å; V192-P249 HydrophobicContact CG1-CG 3.81Å; V192-P249 HydrophobicContact CG2-CG 4.24Å; V192-V280 HydrophobicContact CG2-CG1 4.26Å; V192-L281 PolarHBondContact N-O 2.84Å; V192-W282 HydrophobicContact CB-CE3 3.64Å; V192-W282 HydrophobicContact CB-CZ3 3.74Å; V192-W282 HydrophobicContact CG1-CE3 3.94Å; V192-W282 HydrophobicContact CG1-CZ3 3.79Å; V192-W282 HydrophobicContact CG2-CE3 3.92Å; V192-W282 HydrophobicContact CG2-CH2 4.35Å; V192-W282 HydrophobicContact CG2-CZ3 3.63Å; V192-A283 CarbonylContact O-C 3.55Å; V192-A283 PolarHBondContact O-N 3.37Å |
| 193 | G | 97.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | trans | 139.1 | 166 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A198 I214 M215 | G193-A198 VanDerWaalsContact C-CB 3.47Å; G193-A198 WeakPolarHBondContact O-CB 3.26Å; G193-I214 VanDerWaalsContact O-CG2 3.29Å; G193-I214 WeakPolarHBondContact O-CG2 3.34Å; G193-M215 PolarHBondContact N-O 2.81Å | ||
| 194 | A | 96.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | trans | -135.5 | 21.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | M216 L221 | A194-M216 HydrophobicContact CB-CB 3.79Å; A194-M216 HydrophobicContact CB-CE 3.93Å; A194-L221 PolarHBondContact O-N 3.07Å | ||
| 195 | S | 97 | Very high | 98.4 | Very high | 36 Ų | 36 | 23 Ų | 23 | 25% | 0.252 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -78.5 | 170.6 | 174.6 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | V197 A198 L199 A283 | S195-V197 PolarHBondContact O-N 3.37Å; S195-A198 WeakPolarHBondContact O-CB 3.49Å; S195-A198 PolarHBondContact O-N 3.42Å; S195-A198 PolarHBondContact OG-N 3.48Å; S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.14Å; S195-A283 PolarHBondContact OG-O 2.82Å; S195-A283 VanDerWaalsContact OG-O 3.05Å |
| 196 | Y | 97.8 | Very high | 98.4 | Very high | 132 Ų | 132 | 21.4 Ų | 21.4 | 52% | 0.518 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -58.4 | -36.4 | 174.8 | 71.3 | -91.7 | 0 | 0 | 0 | 111.7 | A198 L199 E200 | Y196-A198 VanDerWaalsContact C-N 3.33Å; Y196-A198 PolarHBondContact O-N 3.45Å; Y196-L199 PolarHBondContact O-N 3.28Å; Y196-E200 VanDerWaalsContact O-CB 3.25Å; Y196-E200 WeakPolarHBondContact O-CB 3.39Å; Y196-E200 WeakPolarHBondContact O-CG 3.29Å; Y196-E200 PolarHBondContact O-N 3.3Å |
| 197 | V | 97.9 | Very high | 98.4 | Very high | 33 Ų | 33 | 23 Ų | 23 | 20% | 0.2 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | S195 C201 A283 | S195-V197 PolarHBondContact O-N 3.37Å; V197-C201 VanDerWaalsContact O-CB 3.3Å; V197-C201 WeakPolarHBondContact O-CB 3.34Å; V197-C201 PolarHBondContact O-N 2.99Å; V197-C201 PolarHBondContact O-SG 3.41Å; V197-C201 VanDerWaalsContact O-SG 3.33Å; V197-A283 HydrophobicContact CG1-CB 4.26Å |
| 198 | A | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V191 G193 S195 Y196 A202 A283 | V191-A198 HydrophobicContact CG1-CB 3.91Å; G193-A198 VanDerWaalsContact C-CB 3.47Å; G193-A198 WeakPolarHBondContact O-CB 3.26Å; S195-A198 WeakPolarHBondContact O-CB 3.49Å; S195-A198 PolarHBondContact O-N 3.42Å; S195-A198 PolarHBondContact OG-N 3.48Å; Y196-A198 VanDerWaalsContact C-N 3.33Å; Y196-A198 PolarHBondContact O-N 3.45Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.13Å; A198-A202 PolarHBondContact O-N 3.41Å; A198-A283 HydrophobicContact CB-CB 3.62Å |
| 199 | L | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | -177.9 | -58.4 | -167.8 | 0 | 0 | 0 | 112.2 | S195 Y196 G203 I214 L221 V232 I233 M236 | S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.14Å; Y196-L199 PolarHBondContact O-N 3.28Å; L199-G203 PolarHBondContact O-N 3.44Å; L199-I214 HydrophobicContact CD2-CD1 3.61Å; L199-L221 HydrophobicContact CD1-CD1 3.88Å; L199-L221 HydrophobicContact CD1-CD2 3.85Å; L199-L221 HydrophobicContact CD1-CG 3.64Å; L199-L221 HydrophobicContact CG-CD2 4.48Å; L199-V232 HydrophobicContact CD1-CG1 4.06Å; L199-I233 HydrophobicContact CD1-CD1 3.8Å; L199-I233 HydrophobicContact CD2-CD1 3.64Å; L199-I233 HydrophobicContact CG-CD1 4.41Å; L199-M236 HydrophobicContact CB-CE 4.23Å; L199-M236 HydrophobicContact CB-SD 4.02Å; L199-M236 HydrophobicContact CD1-SD 4.46Å; L199-M236 HydrophobicContact CD2-CE 4.5Å; L199-M236 HydrophobicContact CD2-SD 4.24Å; L199-M236 HydrophobicContact CG-SD 4.46Å; L199-M236 WeakPolarHBondContact O-CE 3.36Å |
| 200 | E | 98.8 | Very high | 98.4 | Very high | 67 Ų | 67 | 24.9 Ų | 24.9 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 178.5 | -72.3 | 175 | 151.4 | 0 | 0 | 111.9 | K62 Y196 G203 F204 | K62-E200 HydrophobicContact CD-CB 4.13Å; K62-E200 HydrophobicContact CD-CG 4.26Å; K62-E200 WeakPolarHBondContact CD-OE2 3.39Å; K62-E200 HydrophobicContact CG-CB 4.19Å; K62-E200 IonicContact NZ-OE1 2.87Å; K62-E200 PolarHBondContact NZ-OE1 3.45Å; K62-E200 IonicContact NZ-OE2 3.4Å; K62-E200 PolarHBondContact NZ-OE2 3.04Å; Y196-E200 VanDerWaalsContact O-CB 3.25Å; Y196-E200 WeakPolarHBondContact O-CB 3.39Å; Y196-E200 WeakPolarHBondContact O-CG 3.29Å; Y196-E200 PolarHBondContact O-N 3.3Å; E200-G203 PolarHBondContact O-N 3.14Å; E200-F204 WeakPolarHBondContact O-CD1 3.43Å; E200-F204 PolarHBondContact O-N 2.96Å |
| 201 | C | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 176.3 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | I179 V197 G203 F204 L205 L281 | I179-C201 HydrophobicContact CD1-CB 4.48Å; V197-C201 VanDerWaalsContact O-CB 3.3Å; V197-C201 WeakPolarHBondContact O-CB 3.34Å; V197-C201 PolarHBondContact O-N 2.99Å; V197-C201 PolarHBondContact O-SG 3.41Å; V197-C201 VanDerWaalsContact O-SG 3.33Å; C201-G203 VanDerWaalsContact C-N 3.28Å; C201-G203 PolarHBondContact O-N 2.87Å; C201-F204 HydrophobicContact CB-CE1 3.99Å; C201-F204 HydrophobicContact CB-CZ 4.34Å; C201-F204 PolarHBondContact O-N 3.3Å; C201-L205 WeakPolarHBondContact O-CB 3.45Å; C201-L205 WeakPolarHBondContact O-CG 3.28Å; C201-L205 PolarHBondContact O-N 3.33Å; C201-L281 HydrophobicContact CB-CD2 3.59Å |
| 202 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V191 A198 L205 T206 T212 I214 M236 T241 | V191-A202 HydrophobicContact CB-CB 4.35Å; V191-A202 HydrophobicContact CG2-CB 3.98Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.13Å; A198-A202 PolarHBondContact O-N 3.41Å; A202-L205 PolarHBondContact O-N 3Å; A202-T206 WeakPolarHBondContact O-CB 3.36Å; A202-T206 PolarHBondContact O-N 2.96Å; A202-T206 PolarHBondContact O-OG1 3.2Å; A202-T212 HydrophobicContact CB-CG2 3.8Å; A202-I214 HydrophobicContact CB-CD1 3.28Å; A202-I214 HydrophobicContact CB-CG1 3.38Å; A202-M236 HydrophobicContact CB-CE 4.21Å; A202-T241 HydrophobicContact CB-CG2 4.34Å |
| 203 | G | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L199 E200 C201 T206 G207 | L199-G203 PolarHBondContact O-N 3.44Å; E200-G203 PolarHBondContact O-N 3.14Å; C201-G203 VanDerWaalsContact C-N 3.28Å; C201-G203 PolarHBondContact O-N 2.87Å; G203-T206 PolarHBondContact O-N 3Å; G203-G207 PolarHBondContact O-N 3.04Å |
| 204 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -36.2 | 178.2 | 77.8 | -115.8 | 0 | 0 | 0 | 112.2 | M65 A69 I179 F180 E200 C201 T206 G207 I208 | M65-F204 HydrophobicContact CB-CB 4.49Å; M65-F204 HydrophobicContact CB-CD1 4.12Å; M65-F204 HydrophobicContact CB-CD2 3.89Å; M65-F204 HydrophobicContact CB-CE1 4.29Å; M65-F204 HydrophobicContact CB-CE2 4.13Å; M65-F204 HydrophobicContact CB-CG 3.94Å; M65-F204 HydrophobicContact CB-CZ 4.34Å; M65-F204 HydrophobicContact SD-CD2 4.35Å; M65-F204 HydrophobicContact SD-CE1 4.43Å; M65-F204 HydrophobicContact SD-CE2 3.67Å; M65-F204 HydrophobicContact SD-CZ 3.74Å; A69-F204 HydrophobicContact CB-CB 4.18Å; I179-F204 HydrophobicContact CD1-CE2 4.46Å; I179-F204 HydrophobicContact CD1-CZ 3.94Å; I179-F204 HydrophobicContact CG1-CZ 4.31Å; F180-F204 AromaticContact CE1-CE1 3.91Å; F180-F204 HydrophobicContact CE1-CE1 3.91Å; F180-F204 HydrophobicContact CE1-CZ 4.08Å; E200-F204 WeakPolarHBondContact O-CD1 3.43Å; E200-F204 PolarHBondContact O-N 2.96Å; C201-F204 HydrophobicContact CB-CE1 3.99Å; C201-F204 HydrophobicContact CB-CZ 4.34Å; C201-F204 PolarHBondContact O-N 3.3Å; F204-T206 VanDerWaalsContact C-N 3.34Å; F204-T206 PolarHBondContact O-N 3.4Å; F204-G207 PolarHBondContact O-N 3.34Å; F204-I208 WeakPolarHBondContact O-CG1 3.17Å; F204-I208 PolarHBondContact O-N 2.91Å |
| 205 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.7 | -70 | 171.5 | 0 | 0 | 0 | 111.2 | W93 I179 P186 T189 V191 C201 A202 I208 G209 L210 T212 | W93-L205 HydrophobicContact CH2-CD2 4.45Å; W93-L205 HydrophobicContact CZ3-CD2 3.97Å; I179-L205 HydrophobicContact CD1-CD1 3.96Å; I179-L205 HydrophobicContact CD1-CD2 4.27Å; I179-L205 HydrophobicContact CD1-CG 4.39Å; P186-L205 HydrophobicContact CG-CD2 3.64Å; T189-L205 HydrophobicContact CG2-CD1 3.78Å; V191-L205 HydrophobicContact CG2-CD1 4.4Å; C201-L205 WeakPolarHBondContact O-CB 3.45Å; C201-L205 WeakPolarHBondContact O-CG 3.28Å; C201-L205 PolarHBondContact O-N 3.33Å; A202-L205 PolarHBondContact O-N 3Å; L205-I208 HydrophobicContact CD2-CD1 4.49Å; L205-I208 VanDerWaalsContact O-CG1 3.29Å; L205-I208 WeakPolarHBondContact O-CG1 3.39Å; L205-G209 PolarHBondContact O-N 2.8Å; L205-L210 HydrophobicContact CD2-CD1 3.71Å; L205-L210 WeakPolarHBondContact O-CB 3.36Å; L205-L210 PolarHBondContact O-N 2.99Å; L205-T212 HydrophobicContact CB-CG2 4.1Å; L205-T212 WeakPolarHBondContact CB-OG1 3.17Å; L205-T212 HydrophobicContact CD1-CG2 4.24Å |
| 206 | T | 98.9 | Very high | 98.5 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A202 G203 F204 I208 G209 T212 H239 T241 | A202-T206 WeakPolarHBondContact O-CB 3.36Å; A202-T206 PolarHBondContact O-N 2.96Å; A202-T206 PolarHBondContact O-OG1 3.2Å; G203-T206 PolarHBondContact O-N 3Å; F204-T206 VanDerWaalsContact C-N 3.34Å; F204-T206 PolarHBondContact O-N 3.4Å; T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact O-N 3.23Å; T206-G209 WeakPolarHBondContact O-CA 3.4Å; T206-G209 PolarHBondContact O-N 3.25Å; T206-T212 WeakPolarHBondContact OG1-CB 3.42Å; T206-H239 WeakPolarHBondContact CG2-O 3.44Å; T206-T241 WeakPolarHBondContact CB-OG1 3.32Å; T206-T241 PolarHBondContact OG1-OG1 2.9Å |
| 207 | G | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.7 | -21.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | G203 F204 G209 | G203-G207 PolarHBondContact O-N 3.04Å; F204-G207 PolarHBondContact O-N 3.34Å; G207-G209 VanDerWaalsContact C-N 3.31Å |
| 208 | I | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.3 | 168.8 | 68.3 | -178.8 | 0 | 0 | 0 | 113.2 | A68 A69 W93 M96 F204 L205 T206 L210 | A68-I208 HydrophobicContact CB-CG2 4.35Å; A69-I208 HydrophobicContact CB-CG2 4.16Å; W93-I208 HydrophobicContact CE3-CD1 3.85Å; W93-I208 HydrophobicContact CZ3-CD1 3.83Å; M96-I208 HydrophobicContact CE-CD1 3.95Å; M96-I208 HydrophobicContact SD-CG2 4.45Å; F204-I208 WeakPolarHBondContact O-CG1 3.17Å; F204-I208 PolarHBondContact O-N 2.91Å; L205-I208 HydrophobicContact CD2-CD1 4.49Å; L205-I208 VanDerWaalsContact O-CG1 3.29Å; L205-I208 WeakPolarHBondContact O-CG1 3.39Å; T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact O-N 3.23Å; I208-L210 HydrophobicContact CD1-CD1 4.15Å; I208-L210 HydrophobicContact CG1-CD1 4.34Å; I208-L210 HydrophobicContact CG1-CG 4.24Å |
| 209 | G | 98.3 | Very high | 98 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 69% | 0.691 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | 15.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L205 T206 G207 | L205-G209 PolarHBondContact O-N 2.8Å; T206-G209 WeakPolarHBondContact O-CA 3.4Å; T206-G209 PolarHBondContact O-N 3.25Å; G207-G209 VanDerWaalsContact C-N 3.31Å |
| 210 | L | 98.8 | Very high | 97.9 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 17% | 0.173 | 19% | 0.189 | C | C | . | . | trans | -91.3 | 139.7 | 179.6 | -58 | 177.5 | 0 | 0 | 0 | 112.5 | P186 L205 I208 T212 | P186-L210 HydrophobicContact CG-CD1 3.74Å; L205-L210 HydrophobicContact CD2-CD1 3.71Å; L205-L210 WeakPolarHBondContact O-CB 3.36Å; L205-L210 PolarHBondContact O-N 2.99Å; I208-L210 HydrophobicContact CD1-CD1 4.15Å; I208-L210 HydrophobicContact CG1-CD1 4.34Å; I208-L210 HydrophobicContact CG1-CG 4.24Å; L210-T212 PolarHBondContact O-N 3.04Å; L210-T212 PolarHBondContact O-OG1 2.9Å | ||
| 211 | D | 98.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 29.3 Ų | 29.3 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | trans | -65 | 105.2 | 172.1 | -176.8 | -7.5 | 0 | 0 | 0 | 109.5 | K188 T189 R242 | K188-D211 CarbonylContact C-O 3.58Å; K188-D211 WeakPolarHBondContact CA-O 3.43Å; K188-D211 HydrophobicContact CB-CB 4.43Å; K188-D211 HydrophobicContact CG-CB 4.01Å; T189-D211 PolarHBondContact N-O 3.39Å; D211-R242 IonicContact OD1-CZ 3.93Å; D211-R242 IonicContact OD1-NE 2.73Å; D211-R242 IonicContact OD1-NH1 3.52Å; D211-R242 PolarHBondContact OD1-NH1 2.91Å; D211-R242 IonicContact OD2-CZ 3.12Å; D211-R242 IonicContact OD2-NH1 3.76Å; D211-R242 PolarHBondContact OD2-NH1 2.89Å; D211-R242 IonicContact OD2-NH2 2.71Å | ||
| 212 | T | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 128.6 | -169.8 | -52 | 0 | 0 | 0 | 0 | 110.4 | T189 V191 A202 L205 T206 L210 R242 | T189-T212 WeakPolarHBondContact O-CA 3.43Å; V191-T212 HydrophobicContact CG2-CG2 4.15Å; A202-T212 HydrophobicContact CB-CG2 3.8Å; L205-T212 HydrophobicContact CB-CG2 4.1Å; L205-T212 WeakPolarHBondContact CB-OG1 3.17Å; L205-T212 HydrophobicContact CD1-CG2 4.24Å; T206-T212 WeakPolarHBondContact OG1-CB 3.42Å; L210-T212 PolarHBondContact O-N 3.04Å; L210-T212 PolarHBondContact O-OG1 2.9Å; T212-R242 PolarHBondContact O-N 3.35Å |
| 213 | T | 98.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.2 | 179 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | T189 L190 V191 R242 L244 | T189-T213 PolarHBondContact O-N 2.9Å; L190-T213 CarbonylContact C-O 3.57Å; L190-T213 WeakPolarHBondContact CA-O 3.45Å; L190-T213 HydrophobicContact CD1-CG2 4Å; V191-T213 PolarHBondContact N-O 3.31Å; T213-R242 CarbonylContact C-O 3.31Å; T213-R242 WeakPolarHBondContact CA-O 3.42Å; T213-R242 HydrophobicContact CG2-CB 4.05Å; T213-L244 HydrophobicContact CG2-CD1 3.93Å; T213-L244 HydrophobicContact CG2-CG 3.8Å |
| 214 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.5 | 172.7 | -59.1 | -175.8 | 0 | 0 | 0 | 109.4 | V191 G193 L199 A202 M236 T241 R242 F243 L244 | V191-I214 HydrophobicContact CB-CG1 4.47Å; V191-I214 CarbonylContact O-C 3.59Å; V191-I214 WeakPolarHBondContact O-CA 3.43Å; G193-I214 VanDerWaalsContact O-CG2 3.29Å; G193-I214 WeakPolarHBondContact O-CG2 3.34Å; L199-I214 HydrophobicContact CD2-CD1 3.61Å; A202-I214 HydrophobicContact CB-CD1 3.28Å; A202-I214 HydrophobicContact CB-CG1 3.38Å; I214-M236 HydrophobicContact CD1-CE 3.63Å; I214-T241 HydrophobicContact CD1-CG2 3.86Å; I214-T241 HydrophobicContact CG1-CG2 3.83Å; I214-R242 PolarHBondContact N-O 3.21Å; I214-F243 HydrophobicContact CB-CD1 3.86Å; I214-F243 HydrophobicContact CB-CE1 3.84Å; I214-F243 HydrophobicContact CD1-CE1 3.65Å; I214-F243 HydrophobicContact CD1-CZ 3.9Å; I214-F243 HydrophobicContact CG1-CE1 4.18Å; I214-F243 HydrophobicContact CG2-CD1 4.22Å; I214-F243 HydrophobicContact CG2-CE1 4.14Å; I214-F243 CarbonylContact O-C 3.53Å; I214-F243 WeakPolarHBondContact O-CA 3.5Å; I214-L244 PolarHBondContact O-N 3.14Å |
| 215 | M | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.4 | 170.9 | -172.7 | -179.2 | -72.8 | 0 | 0 | 110.3 | L190 V191 V192 G193 L244 C247 P249 W264 | L190-M215 HydrophobicContact CD1-CB 4.05Å; L190-M215 HydrophobicContact CD1-CE 4.33Å; L190-M215 HydrophobicContact CD2-CE 4.05Å; V191-M215 PolarHBondContact O-N 2.87Å; V192-M215 HydrophobicContact CG2-CB 4.43Å; G193-M215 PolarHBondContact N-O 2.81Å; M215-L244 HydrophobicContact CB-CB 4.33Å; M215-L244 HydrophobicContact CE-CD1 3.56Å; M215-L244 HydrophobicContact CG-CB 4.19Å; M215-C247 HydrophobicContact CE-CB 4.42Å; M215-C247 HydrophobicContact CG-CB 3.7Å; M215-C247 HydrophobicContact SD-CB 4.12Å; M215-P249 HydrophobicContact SD-CB 4.13Å; M215-P249 VanDerWaalsContact SD-CD 3.54Å; M215-P249 HydrophobicContact SD-CG 4.04Å; M215-W264 HydrophobicContact CE-CB 3.61Å; M215-W264 HydrophobicContact CE-CD2 3.34Å; M215-W264 HydrophobicContact CE-CE3 3.48Å; M215-W264 VanDerWaalsContact CE-CE3 3.48Å; M215-W264 HydrophobicContact CE-CG 3.4Å; M215-W264 VanDerWaalsContact CE-CG 3.4Å; M215-W264 HydrophobicContact CE-CZ3 4.29Å; M215-W264 HydrophobicContact SD-CB 3.96Å; M215-W264 HydrophobicContact SD-CG 4.27Å |
| 216 | M | 95.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.6 | -178.5 | 56 | 172.9 | 40.9 | 0 | 0 | 111.8 | A194 P220 I233 F243 L244 R245 G246 C247 | A194-M216 HydrophobicContact CB-CB 3.79Å; A194-M216 HydrophobicContact CB-CE 3.93Å; M216-P220 HydrophobicContact CE-CB 4.01Å; M216-I233 HydrophobicContact CE-CD1 3.87Å; M216-F243 HydrophobicContact CE-CD1 4.09Å; M216-F243 HydrophobicContact CE-CE1 4.19Å; M216-F243 HydrophobicContact SD-CD1 4.43Å; M216-L244 PolarHBondContact N-O 3.02Å; M216-R245 HydrophobicContact CG-CB 4.46Å; M216-R245 HydrophobicContact CG-CG 4.23Å; M216-R245 HydrophobicContact SD-CG 4.02Å; M216-G246 PolarHBondContact O-N 3.31Å; M216-C247 CarbonylContact C-O 3.57Å; M216-C247 PolarHBondContact O-N 2.94Å |
| 217 | R | 93.6 | Very high | 97.4 | Very high | 189 Ų | 189 | 59.1 Ų | 59.1 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -71.3 | -32.9 | 176.5 | -176 | -179.7 | 66.1 | -179.5 | 0.5 | 113.3 | C247 A248 | R217-C247 WeakPolarHBondContact CA-O 3.29Å; R217-C247 PolarHBondContact N-O 3.48Å; R217-A248 HydrophobicContact CG-CB 4.5Å |
| 218 | S | 93.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -145.8 | -140.8 | -173.4 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | R222 | S218-R222 PolarHBondContact OG-NH2 2.86Š|
| 219 | I | 96.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 35% | 0.354 | 33% | 0.327 | S | S | . | . | trans | -70.5 | 147.9 | -179.6 | 69.6 | -176.4 | 0 | 0 | 0 | 113.2 | R222 | I219-R222 HydrophobicContact CD1-CB 4.27Å; I219-R222 HydrophobicContact CD1-CG 4.27Å; I219-R222 HydrophobicContact CG1-CB 4.19Å | ||
| 220 | P | 96.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 8% | 0.078 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -69.8 | 149.3 | 168.6 | 32.1 | -36.7 | 0 | 0 | 0 | 112 | M216 R222 Q226 I233 | M216-P220 HydrophobicContact CE-CB 4.01Å; P220-R222 VanDerWaalsContact C-N 3.29Å; P220-R222 PolarHBondContact O-N 3.04Å; P220-R222 VanDerWaalsContact O-N 3.15Å; P220-Q226 PolarHBondContact O-NE2 3.49Å; P220-I233 HydrophobicContact CB-CD1 3.79Å; P220-I233 HydrophobicContact CB-CG1 3.63Å; P220-I233 HydrophobicContact CG-CD1 4.5Å; P220-I233 HydrophobicContact CG-CG1 3.82Å |
| 221 | L | 96.9 | Very high | 97.4 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 46.5 | 50.2 | 170.3 | -62.2 | 173.4 | 0 | 0 | 0 | 112.7 | A194 L199 G223 F224 S229 | A194-L221 PolarHBondContact O-N 3.07Å; L199-L221 HydrophobicContact CD1-CD1 3.88Å; L199-L221 HydrophobicContact CD1-CD2 3.85Å; L199-L221 HydrophobicContact CD1-CG 3.64Å; L199-L221 HydrophobicContact CG-CD2 4.48Å; L221-G223 PolarHBondContact O-N 3.14Å; L221-G223 VanDerWaalsContact O-N 3.14Å; L221-F224 HydrophobicContact CB-CB 3.98Å; L221-F224 HydrophobicContact CB-CD2 3.85Å; L221-F224 HydrophobicContact CB-CG 4.08Å; L221-F224 WeakPolarHBondContact O-CB 3.38Å; L221-F224 WeakPolarHBondContact O-CD2 3.2Å; L221-F224 PolarHBondContact O-N 3.01Å; L221-S229 WeakPolarHBondContact CB-OG 3.45Å |
| 222 | R | 95.8 | Very high | 97.4 | Very high | 168 Ų | 168 | 64.4 Ų | 64.4 | 63% | 0.634 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 124.9 | 178.2 | -179.3 | 176.8 | -63 | -85.3 | 0.3 | 110.3 | S218 I219 P220 | S218-R222 PolarHBondContact OG-NH2 2.86Å; I219-R222 HydrophobicContact CD1-CB 4.27Å; I219-R222 HydrophobicContact CD1-CG 4.27Å; I219-R222 HydrophobicContact CG1-CB 4.19Å; P220-R222 VanDerWaalsContact C-N 3.29Å; P220-R222 PolarHBondContact O-N 3.04Å; P220-R222 VanDerWaalsContact O-N 3.15Å |
| 223 | G | 96.3 | Very high | 97.3 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 81% | 0.814 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | -10.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | L221 | L221-G223 PolarHBondContact O-N 3.14Å; L221-G223 VanDerWaalsContact O-N 3.14Å |
| 224 | F | 98 | Very high | 97.3 | Very high | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -98.1 | 165.1 | 171.6 | -67.8 | -104.1 | 0 | 0 | 0 | 111.2 | L221 Q226 | L221-F224 HydrophobicContact CB-CB 3.98Å; L221-F224 HydrophobicContact CB-CD2 3.85Å; L221-F224 HydrophobicContact CB-CG 4.08Å; L221-F224 WeakPolarHBondContact O-CB 3.38Å; L221-F224 WeakPolarHBondContact O-CD2 3.2Å; L221-F224 PolarHBondContact O-N 3.01Å; F224-Q226 PolarHBondContact O-N 2.55Å; F224-Q226 PolarHBondContact O-NE2 3.16Å |
| 225 | D | 98.5 | Very high | 97.3 | Very high | 95 Ų | 95 | 75.3 Ų | 75.3 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | trans | -54.8 | 126.2 | 170.1 | -176.4 | -73 | 0 | 0 | 0 | 110.6 | Q227 M228 S229 | D225-Q227 WeakPolarHBondContact OD1-CA 3.37Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.46Å; D225-Q227 PolarHBondContact OD1-N 2.96Å; D225-M228 HydrophobicContact CB-CB 4.16Å; D225-M228 HydrophobicContact CB-CG 3.96Å; D225-M228 WeakPolarHBondContact OD1-CG 3.41Å; D225-M228 PolarHBondContact OD1-N 2.68Å; D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 2.71Å; D225-S229 PolarHBondContact O-OG 3.46Å | ||
| 226 | Q | 98.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 76.1 Ų | 76.1 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80.7 | -23.9 | -170.6 | -67.4 | -59.9 | -67.1 | 0 | 0 | 113.6 | P220 F224 S230 | P220-Q226 PolarHBondContact O-NE2 3.49Å; F224-Q226 PolarHBondContact O-N 2.55Å; F224-Q226 PolarHBondContact O-NE2 3.16Å; Q226-S230 WeakPolarHBondContact O-CB 3.25Å; Q226-S230 PolarHBondContact O-N 3.03Å; Q226-S230 PolarHBondContact O-OG 2.82Å |
| 227 | Q | 98.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 78.1 Ų | 78.1 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.9 | -49.9 | 170.4 | -177.1 | -179.2 | 14.4 | 0 | 0 | 109.1 | D225 S229 S230 M231 | D225-Q227 WeakPolarHBondContact OD1-CA 3.37Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.46Å; D225-Q227 PolarHBondContact OD1-N 2.96Å; Q227-S229 VanDerWaalsContact C-N 3.31Å; Q227-S229 PolarHBondContact O-N 2.86Å; Q227-S230 PolarHBondContact O-N 3.05Å; Q227-S230 VanDerWaalsContact O-N 3.15Å; Q227-M231 WeakPolarHBondContact O-CG 3.41Å; Q227-M231 PolarHBondContact O-N 3.23Å; Q227-M231 VanDerWaalsContact O-N 3.09Å |
| 228 | M | 98.7 | Very high | 97.7 | Very high | 106 Ų | 106 | 73.3 Ų | 73.3 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.2 | -59.4 | -51.5 | -61.5 | 0 | 0 | 111.9 | D225 S230 M231 V232 | D225-M228 HydrophobicContact CB-CB 4.16Å; D225-M228 HydrophobicContact CB-CG 3.96Å; D225-M228 WeakPolarHBondContact OD1-CG 3.41Å; D225-M228 PolarHBondContact OD1-N 2.68Å; M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.43Å; M228-M231 HydrophobicContact CE-SD 4.44Å; M228-M231 PolarHBondContact O-N 3.28Å; M228-M231 HydrophobicContact SD-SD 4.15Å; M228-V232 WeakPolarHBondContact O-CG2 3.32Å; M228-V232 PolarHBondContact O-N 2.83Å; M228-V232 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 177.5 | -57 | 0 | 0 | 0 | 0 | 112 | L221 D225 Q227 V232 I233 | L221-S229 WeakPolarHBondContact CB-OG 3.45Å; D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 2.71Å; D225-S229 PolarHBondContact O-OG 3.46Å; Q227-S229 VanDerWaalsContact C-N 3.31Å; Q227-S229 PolarHBondContact O-N 2.86Å; S229-V232 PolarHBondContact O-N 3.07Å; S229-I233 WeakPolarHBondContact O-CG1 3.2Å; S229-I233 PolarHBondContact O-N 3.14Å |
| 230 | S | 97.8 | Very high | 98 | Very high | 52 Ų | 52 | 75.6 Ų | 75.6 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | Q226 Q227 M228 V232 I233 E234 | Q226-S230 WeakPolarHBondContact O-CB 3.25Å; Q226-S230 PolarHBondContact O-N 3.03Å; Q226-S230 PolarHBondContact O-OG 2.82Å; Q227-S230 PolarHBondContact O-N 3.05Å; Q227-S230 VanDerWaalsContact O-N 3.15Å; M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.43Å; S230-V232 VanDerWaalsContact C-N 3.28Å; S230-V232 PolarHBondContact O-N 2.99Å; S230-I233 PolarHBondContact O-N 3.36Å; S230-I233 VanDerWaalsContact O-N 3.09Å; S230-E234 WeakPolarHBondContact O-CG 3.46Å; S230-E234 PolarHBondContact O-N 2.94Å |
| 231 | M | 98.7 | Very high | 98.1 | Very high | 101 Ų | 101 | 75.4 Ų | 75.4 | 50% | 0.498 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59 | -38.9 | 175.6 | -66.4 | 173.6 | 69.6 | 0 | 0 | 112.3 | Q227 M228 E234 H235 | Q227-M231 WeakPolarHBondContact O-CG 3.41Å; Q227-M231 PolarHBondContact O-N 3.23Å; Q227-M231 VanDerWaalsContact O-N 3.09Å; M228-M231 HydrophobicContact CE-SD 4.44Å; M228-M231 PolarHBondContact O-N 3.28Å; M228-M231 HydrophobicContact SD-SD 4.15Å; M231-E234 PolarHBondContact O-N 2.84Å; M231-H235 WeakPolarHBondContact O-CB 3.43Å; M231-H235 PolarHBondContact O-N 3.23Å |
| 232 | V | 98.7 | Very high | 98.2 | Very high | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.376 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | L199 M228 S229 S230 H235 M236 | L199-V232 HydrophobicContact CD1-CG1 4.06Å; M228-V232 WeakPolarHBondContact O-CG2 3.32Å; M228-V232 PolarHBondContact O-N 2.83Å; M228-V232 VanDerWaalsContact O-N 3.1Å; S229-V232 PolarHBondContact O-N 3.07Å; S230-V232 VanDerWaalsContact C-N 3.28Å; S230-V232 PolarHBondContact O-N 2.99Å; V232-H235 PolarHBondContact O-N 2.89Å; V232-M236 HydrophobicContact CG1-SD 4.05Å; V232-M236 VanDerWaalsContact O-CG 3.29Å; V232-M236 WeakPolarHBondContact O-CG 3.39Å; V232-M236 PolarHBondContact O-N 2.89Å |
| 233 | I | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | -179.6 | -62.5 | -63.8 | 0 | 0 | 0 | 111.6 | L199 M216 P220 S229 S230 H235 M236 A237 F243 | L199-I233 HydrophobicContact CD1-CD1 3.8Å; L199-I233 HydrophobicContact CD2-CD1 3.64Å; L199-I233 HydrophobicContact CG-CD1 4.41Å; M216-I233 HydrophobicContact CE-CD1 3.87Å; P220-I233 HydrophobicContact CB-CD1 3.79Å; P220-I233 HydrophobicContact CB-CG1 3.63Å; P220-I233 HydrophobicContact CG-CD1 4.5Å; P220-I233 HydrophobicContact CG-CG1 3.82Å; S229-I233 WeakPolarHBondContact O-CG1 3.2Å; S229-I233 PolarHBondContact O-N 3.14Å; S230-I233 PolarHBondContact O-N 3.36Å; S230-I233 VanDerWaalsContact O-N 3.09Å; I233-H235 VanDerWaalsContact C-N 3.33Å; I233-M236 PolarHBondContact O-N 2.95Å; I233-A237 WeakPolarHBondContact O-CB 3.35Å; I233-A237 PolarHBondContact O-N 2.84Å; I233-F243 HydrophobicContact CD1-CE1 3.55Å; I233-F243 HydrophobicContact CD1-CZ 3.89Å; I233-F243 HydrophobicContact CG2-CD1 4.11Å; I233-F243 HydrophobicContact CG2-CD2 4.41Å; I233-F243 HydrophobicContact CG2-CE1 3.79Å; I233-F243 HydrophobicContact CG2-CE2 4.11Å; I233-F243 HydrophobicContact CG2-CG 4.41Å; I233-F243 HydrophobicContact CG2-CZ 3.8Å |
| 234 | E | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 72.9 Ų | 72.9 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175.9 | -72.8 | 169.7 | -168.1 | 0 | 0 | 111.5 | S230 M231 A237 S238 | S230-E234 WeakPolarHBondContact O-CG 3.46Å; S230-E234 PolarHBondContact O-N 2.94Å; M231-E234 PolarHBondContact O-N 2.84Å; E234-A237 PolarHBondContact O-N 3.41Å; E234-S238 WeakPolarHBondContact O-CB 3.49Å; E234-S238 PolarHBondContact O-N 3.02Å; E234-S238 PolarHBondContact O-OG 2.94Å; E234-S238 VanDerWaalsContact O-OG 3.06Å |
| 235 | H | 98.8 | Very high | 98.4 | Very high | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 174.4 | -179 | 76.3 | 0 | 0 | 0 | 111.5 | M231 V232 I233 A237 S238 H239 | M231-H235 WeakPolarHBondContact O-CB 3.43Å; M231-H235 PolarHBondContact O-N 3.23Å; V232-H235 PolarHBondContact O-N 2.89Å; I233-H235 VanDerWaalsContact C-N 3.33Å; H235-A237 VanDerWaalsContact C-N 3.31Å; H235-A237 PolarHBondContact O-N 3.17Å; H235-S238 WeakPolarHBondContact CA-OG 3.42Å; H235-S238 PolarHBondContact O-N 2.79Å; H235-S238 PolarHBondContact O-OG 2.77Å; H235-H239 AromaticContact CE1-CE1 3.19Å; H235-H239 PolarHBondContact CE1-CE1 3.01Å; H235-H239 AromaticContact CE1-ND1 3.57Å; H235-H239 AromaticContact CE1-NE2 3.56Å; H235-H239 AromaticContact ND1-CE1 3.35Å; H235-H239 PolarHBondContact ND1-CE1 2.92Å; H235-H239 VanDerWaalsContact ND1-CE1 3.35Å; H235-H239 AromaticContact ND1-ND1 3.64Å; H235-H239 AromaticContact NE2-CE1 3.99Å; H235-H239 AromaticContact NE2-ND1 3.98Å; H235-H239 PolarHBondContact O-N 2.81Å; H235-H239 PolarHBondContact O-ND1 2.84Å |
| 236 | M | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 69.7 Ų | 69.7 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 177.8 | -68.7 | 176.6 | 75.7 | 0 | 0 | 112.5 | L199 A202 I214 V232 I233 H239 G240 T241 F243 | L199-M236 HydrophobicContact CB-CE 4.23Å; L199-M236 HydrophobicContact CB-SD 4.02Å; L199-M236 HydrophobicContact CD1-SD 4.46Å; L199-M236 HydrophobicContact CD2-CE 4.5Å; L199-M236 HydrophobicContact CD2-SD 4.24Å; L199-M236 HydrophobicContact CG-SD 4.46Å; L199-M236 WeakPolarHBondContact O-CE 3.36Å; A202-M236 HydrophobicContact CB-CE 4.21Å; I214-M236 HydrophobicContact CD1-CE 3.63Å; V232-M236 HydrophobicContact CG1-SD 4.05Å; V232-M236 VanDerWaalsContact O-CG 3.29Å; V232-M236 WeakPolarHBondContact O-CG 3.39Å; V232-M236 PolarHBondContact O-N 2.89Å; I233-M236 PolarHBondContact O-N 2.95Å; M236-H239 CarbonylContact O-C 3.58Å; M236-H239 PolarHBondContact O-N 2.8Å; M236-G240 PolarHBondContact O-N 2.87Å; M236-T241 HydrophobicContact CE-CG2 4.2Å; M236-T241 WeakPolarHBondContact O-CB 3.41Å; M236-T241 PolarHBondContact O-N 2.87Å; M236-F243 HydrophobicContact CB-CE2 4.01Å; M236-F243 HydrophobicContact CB-CZ 3.86Å; M236-F243 HydrophobicContact CE-CZ 4.48Å; M236-F243 HydrophobicContact SD-CZ 4.34Å |
| 237 | A | 98.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 E234 H235 H239 G240 T241 F243 | I233-A237 WeakPolarHBondContact O-CB 3.35Å; I233-A237 PolarHBondContact O-N 2.84Å; E234-A237 PolarHBondContact O-N 3.41Å; H235-A237 VanDerWaalsContact C-N 3.31Å; H235-A237 PolarHBondContact O-N 3.17Å; A237-H239 PolarHBondContact O-N 2.83Å; A237-G240 PolarHBondContact O-N 3.4Å; A237-T241 WeakPolarHBondContact CA-O 3.4Å; A237-F243 HydrophobicContact CB-CD2 3.97Å; A237-F243 HydrophobicContact CB-CE2 3.88Å |
| 238 | S | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.1 | -19.1 | 176.5 | 58 | 0 | 0 | 0 | 0 | 113.5 | E234 H235 | E234-S238 WeakPolarHBondContact O-CB 3.49Å; E234-S238 PolarHBondContact O-N 3.02Å; E234-S238 PolarHBondContact O-OG 2.94Å; E234-S238 VanDerWaalsContact O-OG 3.06Å; H235-S238 WeakPolarHBondContact CA-OG 3.42Å; H235-S238 PolarHBondContact O-N 2.79Å; H235-S238 PolarHBondContact O-OG 2.77Å |
| 239 | H | 98.3 | Very high | 98 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 19.5 | 178.2 | -62.7 | 69.2 | 0 | 0 | 0 | 113 | T206 H235 M236 A237 | T206-H239 WeakPolarHBondContact CG2-O 3.44Å; H235-H239 AromaticContact CE1-CE1 3.19Å; H235-H239 PolarHBondContact CE1-CE1 3.01Å; H235-H239 AromaticContact CE1-ND1 3.57Å; H235-H239 AromaticContact CE1-NE2 3.56Å; H235-H239 AromaticContact ND1-CE1 3.35Å; H235-H239 PolarHBondContact ND1-CE1 2.92Å; H235-H239 VanDerWaalsContact ND1-CE1 3.35Å; H235-H239 AromaticContact ND1-ND1 3.64Å; H235-H239 AromaticContact NE2-CE1 3.99Å; H235-H239 AromaticContact NE2-ND1 3.98Å; H235-H239 PolarHBondContact O-N 2.81Å; H235-H239 PolarHBondContact O-ND1 2.84Å; M236-H239 CarbonylContact O-C 3.58Å; M236-H239 PolarHBondContact O-N 2.8Å; A237-H239 PolarHBondContact O-N 2.83Å |
| 240 | G | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | M236 A237 R242 | M236-G240 PolarHBondContact O-N 2.87Å; A237-G240 PolarHBondContact O-N 3.4Å; G240-R242 PolarHBondContact O-N 2.96Å |
| 241 | T | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | trans | -71.8 | 125.5 | 173.1 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | A202 T206 I214 M236 A237 F243 | A202-T241 HydrophobicContact CB-CG2 4.34Å; T206-T241 WeakPolarHBondContact CB-OG1 3.32Å; T206-T241 PolarHBondContact OG1-OG1 2.9Å; I214-T241 HydrophobicContact CD1-CG2 3.86Å; I214-T241 HydrophobicContact CG1-CG2 3.83Å; M236-T241 HydrophobicContact CE-CG2 4.2Å; M236-T241 WeakPolarHBondContact O-CB 3.41Å; M236-T241 PolarHBondContact O-N 2.87Å; A237-T241 WeakPolarHBondContact CA-O 3.4Å; T241-F243 HydrophobicContact CG2-CE2 4.01Å; T241-F243 HydrophobicContact CG2-CZ 4.1Å; T241-F243 WeakPolarHBondContact O-CD2 3.45Å; T241-F243 WeakPolarHBondContact O-CE2 3.39Å | ||
| 242 | R | 98.8 | Very high | 98 | Very high | 137 Ų | 137 | 55.5 Ų | 55.5 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 152.3 | 178.8 | -62.4 | 179.6 | -175.7 | 147.9 | 3.2 | 111.3 | D211 T212 T213 I214 G240 | D211-R242 IonicContact OD1-CZ 3.93Å; D211-R242 IonicContact OD1-NE 2.73Å; D211-R242 IonicContact OD1-NH1 3.52Å; D211-R242 PolarHBondContact OD1-NH1 2.91Å; D211-R242 IonicContact OD2-CZ 3.12Å; D211-R242 IonicContact OD2-NH1 3.76Å; D211-R242 PolarHBondContact OD2-NH1 2.89Å; D211-R242 IonicContact OD2-NH2 2.71Å; T212-R242 PolarHBondContact O-N 3.35Å; T213-R242 CarbonylContact C-O 3.31Å; T213-R242 WeakPolarHBondContact CA-O 3.42Å; T213-R242 HydrophobicContact CG2-CB 4.05Å; I214-R242 PolarHBondContact N-O 3.21Å; G240-R242 PolarHBondContact O-N 2.96Å |
| 243 | F | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 57.7 Ų | 57.7 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.4 | -179.1 | -71.8 | -90 | 0 | 0 | 0 | 112 | I214 M216 I233 M236 A237 T241 R245 | I214-F243 HydrophobicContact CB-CD1 3.86Å; I214-F243 HydrophobicContact CB-CE1 3.84Å; I214-F243 HydrophobicContact CD1-CE1 3.65Å; I214-F243 HydrophobicContact CD1-CZ 3.9Å; I214-F243 HydrophobicContact CG1-CE1 4.18Å; I214-F243 HydrophobicContact CG2-CD1 4.22Å; I214-F243 HydrophobicContact CG2-CE1 4.14Å; I214-F243 CarbonylContact O-C 3.53Å; I214-F243 WeakPolarHBondContact O-CA 3.5Å; M216-F243 HydrophobicContact CE-CD1 4.09Å; M216-F243 HydrophobicContact CE-CE1 4.19Å; M216-F243 HydrophobicContact SD-CD1 4.43Å; I233-F243 HydrophobicContact CD1-CE1 3.55Å; I233-F243 HydrophobicContact CD1-CZ 3.89Å; I233-F243 HydrophobicContact CG2-CD1 4.11Å; I233-F243 HydrophobicContact CG2-CD2 4.41Å; I233-F243 HydrophobicContact CG2-CE1 3.79Å; I233-F243 HydrophobicContact CG2-CE2 4.11Å; I233-F243 HydrophobicContact CG2-CG 4.41Å; I233-F243 HydrophobicContact CG2-CZ 3.8Å; M236-F243 HydrophobicContact CB-CE2 4.01Å; M236-F243 HydrophobicContact CB-CZ 3.86Å; M236-F243 HydrophobicContact CE-CZ 4.48Å; M236-F243 HydrophobicContact SD-CZ 4.34Å; A237-F243 HydrophobicContact CB-CD2 3.97Å; A237-F243 HydrophobicContact CB-CE2 3.88Å; T241-F243 HydrophobicContact CG2-CE2 4.01Å; T241-F243 HydrophobicContact CG2-CZ 4.1Å; T241-F243 WeakPolarHBondContact O-CD2 3.45Å; T241-F243 WeakPolarHBondContact O-CE2 3.39Å; F243-R245 HydrophobicContact CB-CG 4.26Å |
| 244 | L | 98 | Very high | 97.9 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 102.3 | 165.4 | -62.1 | 174.4 | 0 | 0 | 0 | 107.7 | L190 T213 I214 M215 M216 C247 W264 | L190-L244 HydrophobicContact CD1-CD1 4.37Å; T213-L244 HydrophobicContact CG2-CD1 3.93Å; T213-L244 HydrophobicContact CG2-CG 3.8Å; I214-L244 PolarHBondContact O-N 3.14Å; M215-L244 HydrophobicContact CB-CB 4.33Å; M215-L244 HydrophobicContact CE-CD1 3.56Å; M215-L244 HydrophobicContact CG-CB 4.19Å; M216-L244 PolarHBondContact N-O 3.02Å; L244-C247 HydrophobicContact CB-CB 4.05Å; L244-W264 HydrophobicContact CD1-CD2 4.35Å; L244-W264 HydrophobicContact CD1-CH2 4.08Å; L244-W264 HydrophobicContact CD1-CZ2 3.77Å; L244-W264 HydrophobicContact CD1-CZ3 4.48Å; L244-W264 HydrophobicContact CD2-CZ2 4.31Å |
| 245 | R | 96.9 | Very high | 97.9 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 50% | 0.502 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 138.9 | -174.2 | -60.8 | -178.6 | -177.8 | -111.5 | 8.7 | 110.8 | M216 F243 C247 | M216-R245 HydrophobicContact CG-CB 4.46Å; M216-R245 HydrophobicContact CG-CG 4.23Å; M216-R245 HydrophobicContact SD-CG 4.02Å; F243-R245 HydrophobicContact CB-CG 4.26Å; R245-C247 PolarHBondContact O-N 2.79Å |
| 246 | G | 96.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 17.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M216 S267 | M216-G246 PolarHBondContact O-N 3.31Å; G246-S267 VanDerWaalsContact O-CB 3.24Å; G246-S267 WeakPolarHBondContact O-CB 3.47Å; G246-S267 PolarHBondContact O-N 3.43Å; G246-S267 PolarHBondContact O-OG 3.47Å; G246-S267 VanDerWaalsContact O-OG 3.09Å |
| 247 | C | 97.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142.7 | -176.3 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | M215 M216 R217 L244 R245 W264 E265 | M215-C247 HydrophobicContact CE-CB 4.42Å; M215-C247 HydrophobicContact CG-CB 3.7Å; M215-C247 HydrophobicContact SD-CB 4.12Å; M216-C247 CarbonylContact C-O 3.57Å; M216-C247 PolarHBondContact O-N 2.94Å; R217-C247 WeakPolarHBondContact CA-O 3.29Å; R217-C247 PolarHBondContact N-O 3.48Å; L244-C247 HydrophobicContact CB-CB 4.05Å; R245-C247 PolarHBondContact O-N 2.79Å; C247-W264 HydrophobicContact CB-CG 4.37Å; C247-E265 VanDerWaalsContact CA-O 3.28Å; C247-E265 WeakPolarHBondContact CA-O 3.36Å |
| 248 | A | 95.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 66.4 Ų | 66.4 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | R217 W264 E265 | R217-A248 HydrophobicContact CG-CB 4.5Å; A248-W264 CarbonylContact O-C 3.43Å; A248-W264 VanDerWaalsContact O-CA 3.27Å; A248-W264 WeakPolarHBondContact O-CA 3.38Å; A248-W264 VanDerWaalsContact O-CB 3.23Å; A248-W264 WeakPolarHBondContact O-CB 3.39Å; A248-E265 PolarHBondContact N-O 3.22Å; A248-E265 PolarHBondContact O-N 3.17Å |
| 249 | P | 97.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.4 | 179.8 | 23.9 | -22.3 | 0 | 0 | 0 | 110.7 | I166 V192 M215 V262 T263 W282 | I166-P249 HydrophobicContact CD1-CB 4.06Å; I166-P249 HydrophobicContact CD1-CG 3.73Å; I166-P249 WeakPolarHBondContact CD1-O 3.35Å; V192-P249 HydrophobicContact CG1-CG 3.81Å; V192-P249 HydrophobicContact CG2-CG 4.24Å; M215-P249 HydrophobicContact SD-CB 4.13Å; M215-P249 VanDerWaalsContact SD-CD 3.54Å; M215-P249 HydrophobicContact SD-CG 4.04Å; P249-V262 HydrophobicContact CB-CG1 4.09Å; P249-T263 WeakPolarHBondContact CA-O 3.49Å; P249-W282 HydrophobicContact CB-CH2 4.27Å; P249-W282 HydrophobicContact CB-CZ3 4.41Å; P249-W282 HydrophobicContact CG-CH2 3.97Å; P249-W282 HydrophobicContact CG-CZ3 3.63Å |
| 250 | S | 97.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -29.3 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | T263 | S250-T263 PolarHBondContact N-O 3.19Å; S250-T263 PolarHBondContact OG-O 3.2Å |
| 251 | R | 97.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 147.7 | -176.7 | -173.1 | 168.7 | 61.7 | -147.1 | -10.4 | 113 | E167 R253 V262 T263 | E167-R251 HydrophobicContact CB-CG 4.27Å; E167-R251 WeakPolarHBondContact OE2-CD 3.27Å; R251-R253 HydrophobicContact CG-CG 4.14Å; R251-R253 VanDerWaalsContact CZ-CZ 3.46Å; R251-R253 VanDerWaalsContact NE-CZ 3.3Å; R251-R253 VanDerWaalsContact NH1-NH2 3.2Å; R251-V262 WeakPolarHBondContact O-CA 3.27Å; R251-T263 PolarHBondContact N-O 3.29Å; R251-T263 PolarHBondContact O-N 2.93Å |
| 252 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.9 | 169.1 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | I166 E167 Y172 L260 Q261 V262 V280 W282 | I166-V252 HydrophobicContact CG2-CG2 4.49Å; E167-V252 PolarHBondContact O-N 2.68Å; Y172-V252 HydrophobicContact CD2-CG1 4.11Å; Y172-V252 HydrophobicContact CG-CG1 4.5Å; V252-L260 HydrophobicContact CG1-CB 4.28Å; V252-Q261 WeakPolarHBondContact CA-O 3.41Å; V252-V262 HydrophobicContact CG1-CG2 4.42Å; V252-V262 HydrophobicContact CG2-CG1 4.44Å; V252-V262 HydrophobicContact CG2-CG2 4.29Å; V252-V280 HydrophobicContact CG1-CG2 4.44Å; V252-W282 HydrophobicContact CG2-CH2 4.1Å; V252-W282 HydrophobicContact CG2-CZ2 3.84Å |
| 253 | R | 97.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 53.3 Ų | 53.3 | 41% | 0.408 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.2 | 176.6 | -71.4 | -179.4 | 173.9 | 168.2 | 0 | 110.7 | R251 L260 Q261 | R251-R253 HydrophobicContact CG-CG 4.14Å; R251-R253 VanDerWaalsContact CZ-CZ 3.46Å; R251-R253 VanDerWaalsContact NE-CZ 3.3Å; R251-R253 VanDerWaalsContact NH1-NH2 3.2Å; R253-L260 CarbonylContact O-C 3.59Å; R253-L260 WeakPolarHBondContact O-CA 3.24Å; R253-Q261 PolarHBondContact N-O 3.37Å; R253-Q261 PolarHBondContact O-N 3.09Å |
| 254 | R | 98 | Very high | 97.3 | Very high | 164 Ų | 164 | 52.2 Ų | 52.2 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.7 | 171 | -166.2 | 173.2 | -168.3 | -161 | 0.4 | 110.4 | Y172 L260 | Y172-R254 HydrophobicContact CD1-CB 4.26Å; Y172-R254 HydrophobicContact CE1-CB 3.94Å; Y172-R254 HydrophobicContact CE2-CB 4.36Å; R254-L260 HydrophobicContact CB-CD2 4.13Å; R254-L260 HydrophobicContact CG-CD2 4.12Å |
| 255 | L | 97.7 | Very high | 97.3 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | trans | -85.1 | 162.8 | 176.8 | -63.7 | -177.6 | 0 | 0 | 0 | 111.3 | D257 G258 Q259 Q261 T276 | L255-D257 VanDerWaalsContact CB-OD1 3.25Å; L255-D257 WeakPolarHBondContact CB-OD1 3.3Å; L255-D257 PolarHBondContact O-N 3.02Å; L255-G258 PolarHBondContact O-N 2.68Å; L255-Q259 WeakPolarHBondContact CB-O 3.46Å; L255-Q259 PolarHBondContact N-O 3.19Å; L255-Q261 HydrophobicContact CD1-CB 4.13Å; L255-Q261 HydrophobicContact CD2-CB 4.03Å; L255-Q261 HydrophobicContact CG-CB 4.01Å; L255-T276 HydrophobicContact CD1-CG2 3.8Å | ||
| 256 | P | 96.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 50.8 Ų | 50.8 | 92% | 0.916 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.6 | -179.6 | -25.4 | 35.4 | 0 | 0 | 0 | 114.8 | G258 | P256-G258 PolarHBondContact O-N 2.99Š|
| 257 | D | 94.4 | Very high | 96.9 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.8 | 176.5 | 65.6 | -3.9 | 0 | 0 | 0 | 113.3 | L255 Q259 | L255-D257 VanDerWaalsContact CB-OD1 3.25Å; L255-D257 WeakPolarHBondContact CB-OD1 3.3Å; L255-D257 PolarHBondContact O-N 3.02Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.16Å; D257-Q259 PolarHBondContact OD1-N 2.66Å; D257-Q259 PolarHBondContact OD2-NE2 2.81Å |
| 258 | G | 94.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 59 Ų | 59 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 94.7 | -12.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | L255 P256 | L255-G258 PolarHBondContact O-N 2.68Å; P256-G258 PolarHBondContact O-N 2.99Å |
| 259 | Q | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | trans | -68 | 156.4 | 176.8 | -69.8 | -177.5 | 84.9 | 0 | 0 | 111.5 | L255 D257 T276 | L255-Q259 WeakPolarHBondContact CB-O 3.46Å; L255-Q259 PolarHBondContact N-O 3.19Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.16Å; D257-Q259 PolarHBondContact OD1-N 2.66Å; D257-Q259 PolarHBondContact OD2-NE2 2.81Å; Q259-T276 PolarHBondContact OE1-OG1 2.76Å | ||
| 260 | L | 98.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.9 | 175.5 | -55.8 | -177.5 | 0 | 0 | 0 | 109.7 | Y172 V252 R253 R254 T276 F277 V280 | Y172-L260 HydrophobicContact CD1-CD2 4.48Å; Y172-L260 HydrophobicContact CG-CD2 4.13Å; Y172-L260 WeakPolarHBondContact O-CD1 3.46Å; V252-L260 HydrophobicContact CG1-CB 4.28Å; R253-L260 CarbonylContact O-C 3.59Å; R253-L260 WeakPolarHBondContact O-CA 3.24Å; R254-L260 HydrophobicContact CB-CD2 4.13Å; R254-L260 HydrophobicContact CG-CD2 4.12Å; L260-T276 CarbonylContact O-C 3.6Å; L260-T276 WeakPolarHBondContact O-CA 3.23Å; L260-F277 WeakPolarHBondContact CA-O 3.28Å; L260-F277 WeakPolarHBondContact CB-O 3.07Å; L260-F277 PolarHBondContact N-O 2.96Å; L260-F277 PolarHBondContact O-N 2.95Å; L260-V280 HydrophobicContact CB-CG2 4.23Å; L260-V280 HydrophobicContact CD1-CB 4.4Å; L260-V280 HydrophobicContact CD1-CG2 3.89Å |
| 261 | Q | 98.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 68 Ų | 68 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.6 | 167.5 | -175.2 | 177.2 | 79.9 | 0 | 0 | 109.1 | V252 R253 L255 T274 G275 | V252-Q261 WeakPolarHBondContact CA-O 3.41Å; R253-Q261 PolarHBondContact N-O 3.37Å; R253-Q261 PolarHBondContact O-N 3.09Å; L255-Q261 HydrophobicContact CD1-CB 4.13Å; L255-Q261 HydrophobicContact CD2-CB 4.03Å; L255-Q261 HydrophobicContact CG-CB 4.01Å; Q261-T274 WeakPolarHBondContact CG-OG1 3.36Å; Q261-G275 WeakPolarHBondContact CA-O 3.32Å |
| 262 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.2 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | L190 P249 R251 V252 W264 T274 G275 F277 V280 | L190-V262 HydrophobicContact CD2-CB 4.02Å; L190-V262 HydrophobicContact CD2-CG1 3.8Å; L190-V262 HydrophobicContact CD2-CG2 3.87Å; P249-V262 HydrophobicContact CB-CG1 4.09Å; R251-V262 WeakPolarHBondContact O-CA 3.27Å; V252-V262 HydrophobicContact CG1-CG2 4.42Å; V252-V262 HydrophobicContact CG2-CG1 4.44Å; V252-V262 HydrophobicContact CG2-CG2 4.29Å; V262-W264 HydrophobicContact CB-CE3 4.35Å; V262-W264 HydrophobicContact CB-CZ3 4.44Å; V262-W264 HydrophobicContact CG1-CE3 4.18Å; V262-W264 VanDerWaalsContact O-CE3 3.31Å; V262-W264 VanDerWaalsContact O-CZ3 3.23Å; V262-W264 WeakPolarHBondContact O-CZ3 3.29Å; V262-T274 WeakPolarHBondContact O-CA 3.45Å; V262-T274 PolarHBondContact O-OG1 3.01Å; V262-G275 PolarHBondContact N-O 2.85Å; V262-G275 PolarHBondContact O-N 3.32Å; V262-F277 HydrophobicContact CB-CD2 4.38Å; V262-F277 HydrophobicContact CB-CE2 4.41Å; V262-F277 HydrophobicContact CG2-CD2 3.95Å; V262-F277 HydrophobicContact CG2-CE2 4.43Å; V262-V280 HydrophobicContact CG2-CG2 3.47Å; V262-V280 VanDerWaalsContact CG2-CG2 3.47Å |
| 263 | T | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.025 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137 | 171.1 | -52.5 | 0 | 0 | 0 | 0 | 108.6 | P249 S250 R251 E272 D273 | P249-T263 WeakPolarHBondContact CA-O 3.49Å; S250-T263 PolarHBondContact N-O 3.19Å; S250-T263 PolarHBondContact OG-O 3.2Å; R251-T263 PolarHBondContact N-O 3.29Å; R251-T263 PolarHBondContact O-N 2.93Å; T263-E272 HydrophobicContact CG2-CG 3.32Å; T263-E272 WeakPolarHBondContact CG2-OE1 3.47Å; T263-D273 WeakPolarHBondContact CA-O 3.27Å |
| 264 | W | 98.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 73.4 Ų | 73.4 | 5% | 0.049 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157.7 | 177.5 | 64.4 | 84.8 | 0 | 0 | 0 | 112.2 | M215 L244 C247 A248 V262 E272 D273 T274 F277 | M215-W264 HydrophobicContact CE-CB 3.61Å; M215-W264 HydrophobicContact CE-CD2 3.34Å; M215-W264 HydrophobicContact CE-CE3 3.48Å; M215-W264 VanDerWaalsContact CE-CE3 3.48Å; M215-W264 HydrophobicContact CE-CG 3.4Å; M215-W264 VanDerWaalsContact CE-CG 3.4Å; M215-W264 HydrophobicContact CE-CZ3 4.29Å; M215-W264 HydrophobicContact SD-CB 3.96Å; M215-W264 HydrophobicContact SD-CG 4.27Å; L244-W264 HydrophobicContact CD1-CD2 4.35Å; L244-W264 HydrophobicContact CD1-CH2 4.08Å; L244-W264 HydrophobicContact CD1-CZ2 3.77Å; L244-W264 HydrophobicContact CD1-CZ3 4.48Å; L244-W264 HydrophobicContact CD2-CZ2 4.31Å; C247-W264 HydrophobicContact CB-CG 4.37Å; A248-W264 CarbonylContact O-C 3.43Å; A248-W264 VanDerWaalsContact O-CA 3.27Å; A248-W264 WeakPolarHBondContact O-CA 3.38Å; A248-W264 VanDerWaalsContact O-CB 3.23Å; A248-W264 WeakPolarHBondContact O-CB 3.39Å; V262-W264 HydrophobicContact CB-CE3 4.35Å; V262-W264 HydrophobicContact CB-CZ3 4.44Å; V262-W264 HydrophobicContact CG1-CE3 4.18Å; V262-W264 VanDerWaalsContact O-CE3 3.31Å; V262-W264 VanDerWaalsContact O-CZ3 3.23Å; V262-W264 WeakPolarHBondContact O-CZ3 3.29Å; W264-E272 WeakPolarHBondContact O-CA 3.23Å; W264-D273 HydrophobicContact CZ2-CB 3.96Å; W264-D273 PolarHBondContact N-O 2.74Å; W264-D273 PolarHBondContact O-N 3Å; W264-T274 VanDerWaalsContact CZ3-C 3.49Å; W264-F277 HydrophobicContact CZ3-CE2 4.24Å |
| 265 | E | 97 | Very high | 95.7 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.6 | 171.5 | -173.7 | -179.4 | 178 | 0 | 0 | 109.4 | C247 A248 | C247-E265 VanDerWaalsContact CA-O 3.28Å; C247-E265 WeakPolarHBondContact CA-O 3.36Å; A248-E265 PolarHBondContact N-O 3.22Å; A248-E265 PolarHBondContact O-N 3.17Å |
| 266 | D | 95.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.16 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.1 | 169.9 | 172.3 | 10.6 | 0 | 0 | 0 | 109.6 | T268 T269 G270 K271 | D266-T268 PolarHBondContact O-N 2.74Å; D266-T268 WeakPolarHBondContact OD1-CA 3.46Å; D266-T268 WeakPolarHBondContact OD1-CB 3.44Å; D266-T268 PolarHBondContact OD1-N 2.85Å; D266-T268 PolarHBondContact OD1-OG1 2.88Å; D266-T269 WeakPolarHBondContact CB-OG1 3.46Å; D266-T269 VanDerWaalsContact CG-OG1 3.28Å; D266-T269 PolarHBondContact O-N 3.19Å; D266-T269 VanDerWaalsContact OD2-CG2 3.27Å; D266-T269 WeakPolarHBondContact OD2-CG2 3.49Å; D266-T269 PolarHBondContact OD2-OG1 3.16Å; D266-G270 WeakPolarHBondContact O-CA 3.32Å; D266-G270 PolarHBondContact O-N 2.97Å; D266-K271 PolarHBondContact N-O 3.43Å |
| 267 | S | 91 | Very high | 95.8 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.9 | -179.6 | -58 | 0 | 0 | 0 | 0 | 113.3 | G246 | G246-S267 VanDerWaalsContact O-CB 3.24Å; G246-S267 WeakPolarHBondContact O-CB 3.47Å; G246-S267 PolarHBondContact O-N 3.43Å; G246-S267 PolarHBondContact O-OG 3.47Å; G246-S267 VanDerWaalsContact O-OG 3.09Å |
| 268 | T | 87.9 | Confident | 96 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -40.3 | 179 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | D266 | D266-T268 PolarHBondContact O-N 2.74Å; D266-T268 WeakPolarHBondContact OD1-CA 3.46Å; D266-T268 WeakPolarHBondContact OD1-CB 3.44Å; D266-T268 PolarHBondContact OD1-N 2.85Å; D266-T268 PolarHBondContact OD1-OG1 2.88Å |
| 269 | T | 90.7 | Very high | 96.2 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -16 | -177.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | D266 K271 | D266-T269 WeakPolarHBondContact CB-OG1 3.46Å; D266-T269 VanDerWaalsContact CG-OG1 3.28Å; D266-T269 PolarHBondContact O-N 3.19Å; D266-T269 VanDerWaalsContact OD2-CG2 3.27Å; D266-T269 WeakPolarHBondContact OD2-CG2 3.49Å; D266-T269 PolarHBondContact OD2-OG1 3.16Å; T269-K271 PolarHBondContact O-N 2.79Å |
| 270 | G | 90.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 17.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D266 | D266-G270 WeakPolarHBondContact O-CA 3.32Å; D266-G270 PolarHBondContact O-N 2.97Å |
| 271 | K | 93.8 | Very high | 96.3 | Very high | 147 Ų | 147 | 55.1 Ų | 55.1 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.8 | -176.7 | -67.8 | -176 | -180 | -179.9 | 0 | 111.3 | D266 T269 | D266-K271 PolarHBondContact N-O 3.43Å; T269-K271 PolarHBondContact O-N 2.79Å |
| 272 | E | 96.4 | Very high | 96.3 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 61% | 0.612 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.8 | 167.3 | -170.8 | 173.8 | 103.1 | 0 | 0 | 109.6 | T263 W264 | T263-E272 HydrophobicContact CG2-CG 3.32Å; T263-E272 WeakPolarHBondContact CG2-OE1 3.47Å; W264-E272 WeakPolarHBondContact O-CA 3.23Å |
| 273 | D | 97.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 53 Ų | 53 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166.6 | 174 | -162.8 | 9.1 | 0 | 0 | 0 | 110.3 | T263 W264 | T263-D273 WeakPolarHBondContact CA-O 3.27Å; W264-D273 HydrophobicContact CZ2-CB 3.96Å; W264-D273 PolarHBondContact N-O 2.74Å; W264-D273 PolarHBondContact O-N 3Å |
| 274 | T | 97.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149.6 | -173.6 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | Q261 V262 W264 | Q261-T274 WeakPolarHBondContact CG-OG1 3.36Å; V262-T274 WeakPolarHBondContact O-CA 3.45Å; V262-T274 PolarHBondContact O-OG1 3.01Å; W264-T274 VanDerWaalsContact CZ3-C 3.49Å |
| 275 | G | 98.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q261 V262 | Q261-G275 WeakPolarHBondContact CA-O 3.32Å; V262-G275 PolarHBondContact N-O 2.85Å; V262-G275 PolarHBondContact O-N 3.32Å |
| 276 | T | 98.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.9 | 176.5 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | K188 L255 Q259 L260 | K188-T276 WeakPolarHBondContact CD-O 3.49Å; K188-T276 WeakPolarHBondContact CE-O 3.46Å; K188-T276 PolarHBondContact NZ-O 2.77Å; L255-T276 HydrophobicContact CD1-CG2 3.8Å; Q259-T276 PolarHBondContact OE1-OG1 2.76Å; L260-T276 CarbonylContact O-C 3.6Å; L260-T276 WeakPolarHBondContact O-CA 3.23Å |
| 277 | F | 98.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153 | -178.5 | -58.4 | -87.4 | 0 | 0 | 0 | 109.3 | K188 L190 L260 V262 W264 | K188-F277 HydrophobicContact CD-CD1 4.41Å; K188-F277 HydrophobicContact CG-CD1 4.02Å; K188-F277 CarbonylContact O-C 3.59Å; L190-F277 HydrophobicContact CB-CB 4.41Å; L190-F277 HydrophobicContact CB-CD1 3.64Å; L190-F277 HydrophobicContact CB-CD2 3.9Å; L190-F277 HydrophobicContact CB-CE1 3.78Å; L190-F277 HydrophobicContact CB-CE2 4.02Å; L190-F277 HydrophobicContact CB-CG 3.7Å; L190-F277 HydrophobicContact CB-CZ 3.97Å; L190-F277 HydrophobicContact CD1-CE1 4.09Å; L190-F277 HydrophobicContact CD1-CE2 4.29Å; L190-F277 HydrophobicContact CD1-CZ 3.82Å; L190-F277 HydrophobicContact CD2-CD2 4.25Å; L190-F277 HydrophobicContact CD2-CE2 3.95Å; L190-F277 HydrophobicContact CD2-CZ 4.33Å; L190-F277 HydrophobicContact CG-CE1 4.46Å; L190-F277 HydrophobicContact CG-CE2 4.32Å; L190-F277 HydrophobicContact CG-CZ 4.26Å; L260-F277 WeakPolarHBondContact CA-O 3.28Å; L260-F277 WeakPolarHBondContact CB-O 3.07Å; L260-F277 PolarHBondContact N-O 2.96Å; L260-F277 PolarHBondContact O-N 2.95Å; V262-F277 HydrophobicContact CB-CD2 4.38Å; V262-F277 HydrophobicContact CB-CE2 4.41Å; V262-F277 HydrophobicContact CG2-CD2 3.95Å; V262-F277 HydrophobicContact CG2-CE2 4.43Å; W264-F277 HydrophobicContact CZ3-CE2 4.24Å |
| 278 | D | 98.7 | Very high | 90.4 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -78.4 | -34.7 | 170.5 | -61 | -49.3 | 0 | 0 | 0 | 110.6 | P186 G187 K188 | P186-D278 WeakPolarHBondContact O-CB 3.26Å; G187-D278 WeakPolarHBondContact CA-OD2 3.27Å; K188-D278 PolarHBondContact N-OD2 2.7Å; K188-D278 PolarHBondContact O-N 2.87Å |
| 279 | T | 98.9 | Very high | 89.1 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.5 | -177.3 | -62 | 0 | 0 | 0 | 0 | 112.3 | I174 P186 K188 T189 L190 | I174-T279 HydrophobicContact CD1-CG2 3.42Å; I174-T279 VanDerWaalsContact CD1-CG2 3.42Å; I174-T279 HydrophobicContact CG1-CG2 3.74Å; P186-T279 VanDerWaalsContact CA-OG1 3.3Å; P186-T279 WeakPolarHBondContact CA-OG1 3.32Å; P186-T279 HydrophobicContact CB-CG2 4.06Å; P186-T279 WeakPolarHBondContact CB-OG1 3.21Å; P186-T279 VanDerWaalsContact O-CB 3.27Å; P186-T279 WeakPolarHBondContact O-CB 3.17Å; P186-T279 PolarHBondContact O-OG1 3.35Å; K188-T279 PolarHBondContact O-N 3.13Å; T189-T279 WeakPolarHBondContact CA-O 3.36Å; T189-T279 HydrophobicContact CG2-CG2 4.18Å; L190-T279 PolarHBondContact N-O 2.9Å |
| 280 | V | 98.8 | Very high | 87 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115 | 169.6 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | G173 I174 L190 V192 V252 L260 V262 W282 | G173-V280 WeakPolarHBondContact CA-O 3.46Å; I174-V280 WeakPolarHBondContact CG1-O 3.48Å; I174-V280 PolarHBondContact N-O 3.22Å; L190-V280 HydrophobicContact CB-CG2 4.49Å; L190-V280 CarbonylContact O-C 3.36Å; L190-V280 WeakPolarHBondContact O-CA 3.37Å; V192-V280 HydrophobicContact CG2-CG1 4.26Å; V252-V280 HydrophobicContact CG1-CG2 4.44Å; L260-V280 HydrophobicContact CB-CG2 4.23Å; L260-V280 HydrophobicContact CD1-CB 4.4Å; L260-V280 HydrophobicContact CD1-CG2 3.89Å; V262-V280 HydrophobicContact CG2-CG2 3.47Å; V262-V280 VanDerWaalsContact CG2-CG2 3.47Å; V280-W282 HydrophobicContact CG1-CD2 4.45Å; V280-W282 HydrophobicContact CG1-CH2 4.12Å; V280-W282 HydrophobicContact CG1-CZ2 3.83Å |
| 281 | L | 98.8 | Very high | 84.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115 | 179.2 | 175.7 | 67.4 | 0 | 0 | 0 | 111 | I174 T175 I179 L190 V191 V192 C201 A283 | I174-L281 HydrophobicContact CD1-CD1 4.28Å; I174-L281 HydrophobicContact CG1-CB 4.28Å; I174-L281 HydrophobicContact CG1-CD1 3.93Å; T175-L281 WeakPolarHBondContact O-CD1 3.45Å; I179-L281 HydrophobicContact CB-CD1 4.45Å; I179-L281 HydrophobicContact CD1-CD2 3.82Å; L190-L281 PolarHBondContact O-N 3.28Å; V191-L281 HydrophobicContact CG1-CD2 4Å; V191-L281 HydrophobicContact CG1-CG 4.4Å; V191-L281 HydrophobicContact CG2-CB 4.28Å; V191-L281 HydrophobicContact CG2-CD2 4Å; V192-L281 PolarHBondContact N-O 2.84Å; C201-L281 HydrophobicContact CB-CD2 3.59Å; L281-A283 PolarHBondContact O-N 2.92Å |
| 282 | W | 98.3 | Very high | 82.1 | Confident | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.011 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 106 | 171.6 | -54.5 | 112.6 | 0 | 0 | 0 | 110.6 | Y162 P163 I166 A169 I174 T175 V192 P249 V252 V280 | Y162-W282 AromaticContact CD1-CD1 3.58Å; Y162-W282 HydrophobicContact CD1-CG 4.41Å; Y162-W282 AromaticContact CD1-NE1 3.92Å; Y162-W282 AromaticContact CE1-CD1 3.5Å; Y162-W282 AromaticContact CE1-NE1 3.96Å; P163-W282 HydrophobicContact CG-CD2 3.91Å; P163-W282 HydrophobicContact CG-CE3 3.69Å; P163-W282 HydrophobicContact CG-CH2 4.02Å; P163-W282 HydrophobicContact CG-CZ2 4.2Å; P163-W282 HydrophobicContact CG-CZ3 3.73Å; I166-W282 HydrophobicContact CD1-CH2 4.26Å; I166-W282 HydrophobicContact CD1-CZ3 4.35Å; I166-W282 HydrophobicContact CG2-CH2 4.38Å; A169-W282 HydrophobicContact CB-CH2 4.23Å; A169-W282 HydrophobicContact CB-CZ2 3.47Å; A169-W282 VanDerWaalsContact CB-CZ2 3.47Å; A169-W282 PolarHBondContact O-NE1 3.02Å; I174-W282 PolarHBondContact O-N 3.36Å; T175-W282 HydrophobicContact CG2-CB 4.25Å; V192-W282 HydrophobicContact CB-CE3 3.64Å; V192-W282 HydrophobicContact CB-CZ3 3.74Å; V192-W282 HydrophobicContact CG1-CE3 3.94Å; V192-W282 HydrophobicContact CG1-CZ3 3.79Å; V192-W282 HydrophobicContact CG2-CE3 3.92Å; V192-W282 HydrophobicContact CG2-CH2 4.35Å; V192-W282 HydrophobicContact CG2-CZ3 3.63Å; P249-W282 HydrophobicContact CB-CH2 4.27Å; P249-W282 HydrophobicContact CB-CZ3 4.41Å; P249-W282 HydrophobicContact CG-CH2 3.97Å; P249-W282 HydrophobicContact CG-CZ3 3.63Å; V252-W282 HydrophobicContact CG2-CH2 4.1Å; V252-W282 HydrophobicContact CG2-CZ2 3.84Å; V280-W282 HydrophobicContact CG1-CD2 4.45Å; V280-W282 HydrophobicContact CG1-CH2 4.12Å; V280-W282 HydrophobicContact CG1-CZ2 3.83Å |
| 283 | A | 96.4 | Very high | 79.2 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | trans | -115.2 | 43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V191 V192 S195 V197 A198 L281 | V191-A283 HydrophobicContact CG1-CB 4.22Å; V192-A283 CarbonylContact O-C 3.55Å; V192-A283 PolarHBondContact O-N 3.37Å; S195-A283 PolarHBondContact OG-O 2.82Å; S195-A283 VanDerWaalsContact OG-O 3.05Å; V197-A283 HydrophobicContact CG1-CB 4.26Å; A198-A283 HydrophobicContact CB-CB 3.62Å; L281-A283 PolarHBondContact O-N 2.92Å | ||
| 284 | I | 86.5 | Confident | 76.4 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | trans | -87 | 150.4 | 174.3 | 62.9 | 173.2 | 0 | 0 | 0 | 110.1 | R161 P163 | R161-I284 HydrophobicContact CB-CD1 4.42Å; R161-I284 HydrophobicContact CB-CG1 4.23Å; R161-I284 HydrophobicContact CG-CD1 4.22Å; R161-I284 WeakPolarHBondContact O-CD1 3.25Å; R161-I284 WeakPolarHBondContact O-CG1 3.48Å; P163-I284 HydrophobicContact CB-CD1 4.09Å; P163-I284 HydrophobicContact CG-CD1 4.27Å | ||
| 285 | A | 74.1 | Confident | 73.2 | Confident | 68 Ų | 68 | 56.8 Ų | 56.8 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | trans | -45.1 | 135.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R161 | R161-A285 WeakPolarHBondContact CB-O 3.49Š| ||
| 286 | P | 68.6 | Low | 70.2 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 66% | 0.662 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 158.5 | -173.7 | 28.3 | -35 | 0 | 0 | 0 | 112.7 | R159 | R159-P286 WeakPolarHBondContact O-CA 3.2Å; R159-P286 WeakPolarHBondContact O-CB 3.19Å |
| 287 | C | 63.2 | Low | 66.9 | Low | 78 Ų | 78 | 62.2 Ų | 62.2 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.9 | 171.8 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | G158 R159 | G158-C287 CarbonylContact C-O 3.55Å; G158-C287 WeakPolarHBondContact CA-O 3.36Å; R159-C287 PolarHBondContact N-O 2.93Å; R159-C287 PolarHBondContact O-N 2.85Å |
| 288 | I | 66.8 | Low | 63.6 | Low | 144 Ų | 144 | 70.4 Ų | 70.4 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.7 | 176.4 | -63.8 | 168.9 | 0 | 0 | 0 | 109.1 | A290 | I288-A290 PolarHBondContact O-N 3.5Å; I288-A290 VanDerWaalsContact O-N 3.17Å |
| 289 | S | 60.9 | Low | 60.7 | Low | 39 Ų | 39 | 71.9 Ų | 71.9 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | trans | -79.3 | 98 | 174.2 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | T156 G157 | T156-S289 PolarHBondContact OG1-O 3.48Å; G157-S289 PolarHBondContact O-N 3.02Å | ||
| 290 | A | 46.7 | Very low | 57.3 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 60% | 0.595 | 48% | 0.482 | S | S | * | . | trans | -76 | 128.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I288 L292 | I288-A290 PolarHBondContact O-N 3.5Å; I288-A290 VanDerWaalsContact O-N 3.17Å; A290-L292 HydrophobicContact CB-CD2 4.38Å; A290-L292 HydrophobicContact CB-CG 4.22Å; A290-L292 PolarHBondContact O-N 2.89Å | ||
| 291 | C | 46.8 | Very low | 54.1 | Low | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.216 | 52% | 0.522 | C | S | . | . | trans | -76 | 91 | 157.4 | -73.9 | 0 | 0 | 0 | 0 | 107.5 | F129 T156 | F129-C291 HydrophobicContact CD2-CB 4.15Å; F129-C291 HydrophobicContact CE2-CB 4.11Å; T156-C291 WeakPolarHBondContact CG2-SG 3.29Å | ||
| 292 | L | 34.7 | Very low | 51 | Low | 128 Ų | 128 | 91.1 Ų | 91.1 | 67% | 0.67 | 57% | 0.566 | S | S | * | * | trans | -72.3 | 139.9 | 175.7 | -69.8 | 166.3 | 0 | 0 | 0 | 109.5 | A290 T294 | A290-L292 HydrophobicContact CB-CD2 4.38Å; A290-L292 HydrophobicContact CB-CG 4.22Å; A290-L292 PolarHBondContact O-N 2.89Å; L292-T294 PolarHBondContact O-N 2.8Å | ||
| 293 | P | 35.3 | Very low | 47.8 | Very low | 95 Ų | 95 | 99.5 Ų | 99.5 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | trans | -58.8 | 128.6 | 165.3 | -10.4 | 22 | 0 | 0 | 0 | 108 | T295 | P293-T295 PolarHBondContact O-N 2.75Š| ||
| 294 | T | 38.1 | Very low | 44.9 | Very low | 72 Ų | 72 | 110.2 Ų | 110.2 | 44% | 0.442 | 64% | 0.644 | S | S | . | * | trans | -66.8 | 107.7 | 165.5 | 34.5 | 0 | 0 | 0 | 0 | 107 | F129 L292 V296 | F129-T294 PolarHBondContact O-OG1 3.07Å; L292-T294 PolarHBondContact O-N 2.8Å; T294-V296 PolarHBondContact O-N 3.04Å | ||
| 295 | T | 31 | Very low | 42.4 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | trans | -63.2 | 93.4 | 164.6 | 46.8 | 0 | 0 | 0 | 0 | 107.2 | P293 G297 | P293-T295 PolarHBondContact O-N 2.75Å; T295-G297 PolarHBondContact O-N 2.82Å | ||
| 296 | V | 34.4 | Very low | 40.8 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 66% | 0.655 | 70% | 0.704 | S | S | * | * | trans | -64.7 | 106.6 | 166.3 | -177 | 0 | 0 | 0 | 0 | 105.3 | T294 H298 | T294-V296 PolarHBondContact O-N 3.04Å; V296-H298 PolarHBondContact O-N 3.38Å | ||
| 297 | G | 30.2 | Very low | 39.4 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -51.5 | 112.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T295 A299 | T295-G297 PolarHBondContact O-N 2.82Å; G297-A299 VanDerWaalsContact C-N 3.3Å; G297-A299 PolarHBondContact O-N 3.5Å | ||
| 298 | H | 28.6 | Very low | 38.1 | Very low | 181 Ų | 181 | 130 Ų | 130 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -66.3 | 95.2 | 168.7 | -100 | 48.6 | 0 | 0 | 0 | 107.8 | V296 G300 | V296-H298 PolarHBondContact O-N 3.38Å; H298-G300 PolarHBondContact O-N 3.21Å | ||
| 299 | A | 37.2 | Very low | 36.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | trans | -66.3 | 92.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107 | G297 | G297-A299 VanDerWaalsContact C-N 3.3Å; G297-A299 PolarHBondContact O-N 3.5Å | ||
| 300 | G | 27.9 | Very low | 35.1 | Very low | 55 Ų | 55 | 134.5 Ų | 134.5 | 57% | 0.567 | 74% | 0.74 | S | S | * | * | trans | -139.1 | 78 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H298 | H298-G300 PolarHBondContact O-N 3.21Š| ||
| 301 | K | 32.3 | Very low | 34.4 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 49.6 | 103.5 | 144.7 | -65.4 | 175.5 | 178.8 | 174.6 | 0 | 117.6 | Q303 | K301-Q303 VanDerWaalsContact C-N 3.33Å; K301-Q303 PolarHBondContact O-N 2.97Å | ||
| 302 | N | 32.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -52.4 | 97.1 | 145.8 | -99 | -15.2 | 0 | 0 | 0 | 109.5 | ||||
| 303 | Q | 32.1 | Very low | 33.5 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -86 | 105.1 | 154.1 | -92.4 | 179.1 | -18.6 | 0 | 0 | 107.5 | K301 | K301-Q303 VanDerWaalsContact C-N 3.33Å; K301-Q303 PolarHBondContact O-N 2.97Å | ||
| 304 | R | 34.8 | Very low | 33.3 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -62.5 | 130.5 | 149.6 | -70 | -179.2 | -178.5 | -170.2 | -0.1 | 107.3 | ||||
| 305 | R | 34.4 | Very low | 32.9 | Very low | 224 Ų | 224 | 157.3 Ų | 157.3 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | 179.4 | 132.2 | 121 | -96 | 170.9 | -168.1 | -146.3 | 2.5 | 110.3 | |||||
| 306 | D | 40 | Very low | 33.1 | Very low | 227 Ų | 227 | 159.3 Ų | 159.3 | 100% | 1.214 | 84% | 0.837 | S | S | * | * | trans | 68.9 | 0 | 156.7 | -46.5 | -18.1 | 0 | 0 | 0 | 119.3 |
Retrieved 306 of 306 residues in 98.9 ms
(Link to these results)