| 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 | 48.9 | Very low | 84.8 | Confident | 240 Ų | 240 | 70.3 Ų | 70.3 | 100% | 1.182 | 40% | 0.4 | S | S | * | . | 0 | 139.8 | 0 | -72.3 | 174 | -166.5 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.28Š| |||
| 2 | A | 58.5 | Low | 86 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 81% | 0.81 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 133.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | A4 | A2-A4 PolarHBondContact O-N 3.36Š|
| 3 | S | 64.7 | Low | 87 | Confident | 109 Ų | 109 | 59.5 Ų | 59.5 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 127.1 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 108.3 | M1 V5 | M1-S3 PolarHBondContact O-N 3.28Å; S3-V5 PolarHBondContact O-N 3.23Å |
| 4 | A | 80 | Confident | 87.8 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 135.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A2 R6 Q53 | A2-A4 PolarHBondContact O-N 3.36Å; A4-R6 PolarHBondContact O-N 3.43Å; A4-Q53 WeakPolarHBondContact CA-O 3.49Å |
| 5 | V | 92.7 | Very high | 88.3 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 42% | 0.418 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.7 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 106.8 | S3 K7 Q53 V54 E55 L180 | S3-V5 PolarHBondContact O-N 3.23Å; V5-K7 HydrophobicContact CG1-CG 4.33Å; V5-Q53 PolarHBondContact N-O 2.92Å; V5-Q53 VanDerWaalsContact N-O 3.16Å; V5-V54 VanDerWaalsContact O-CA 3.3Å; V5-V54 WeakPolarHBondContact O-CA 3.4Å; V5-V54 WeakPolarHBondContact O-CG1 3.44Å; V5-E55 PolarHBondContact O-N 3.02Å; V5-E55 VanDerWaalsContact O-N 3.07Å; V5-L180 HydrophobicContact CB-CD2 4.49Å; V5-L180 HydrophobicContact CG1-CD2 4.25Å |
| 6 | R | 95.9 | Very high | 88.8 | Confident | 158 Ų | 158 | 55 Ų | 55 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.6 | 175.8 | -167.7 | 174 | -174.3 | -179.5 | 0.9 | 110.9 | A4 E55 | A4-R6 PolarHBondContact O-N 3.43Å; R6-E55 WeakPolarHBondContact CA-O 3.35Å; R6-E55 WeakPolarHBondContact CD-OE1 3.4Å; R6-E55 HydrophobicContact CG-CB 4.45Å; R6-E55 WeakPolarHBondContact CG-OE1 3.41Å; R6-E55 IonicContact CZ-OE1 2.64Å; R6-E55 IonicContact NE-OE1 3.83Å; R6-E55 PolarHBondContact NE-OE1 3.44Å |
| 7 | K | 97.7 | Very high | 89.3 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.1 | 177.4 | -70 | -65.7 | 179.1 | 166.5 | 0 | 111.2 | V5 V54 E55 L56 A57 D79 A179 L180 | V5-K7 HydrophobicContact CG1-CG 4.33Å; K7-V54 HydrophobicContact CB-CG1 3.97Å; K7-V54 HydrophobicContact CG-CG1 3.93Å; K7-E55 PolarHBondContact N-O 3.36Å; K7-L56 HydrophobicContact CB-CD2 3.99Å; K7-L56 CarbonylContact O-C 3.59Å; K7-L56 WeakPolarHBondContact O-CA 3.47Å; K7-A57 PolarHBondContact O-N 3.45Å; K7-D79 HydrophobicContact CB-CB 4.39Å; K7-D79 HydrophobicContact CD-CB 3.79Å; K7-D79 VanDerWaalsContact CD-OD1 3.29Å; K7-D79 WeakPolarHBondContact CD-OD1 3.48Å; K7-D79 IonicContact NZ-OD1 3.11Å; K7-D79 PolarHBondContact NZ-OD1 2.98Å; K7-A179 HydrophobicContact CB-CB 4.13Å; K7-A179 HydrophobicContact CD-CB 4.05Å; K7-A179 WeakPolarHBondContact CE-O 3.4Å; K7-A179 HydrophobicContact CG-CB 4.09Å; K7-A179 PolarHBondContact NZ-O 3.44Å; K7-L180 HydrophobicContact CG-CD2 4.49Å |
| 8 | K | 98.2 | Very high | 89.8 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.8 | 178.2 | 177.5 | 171.4 | 171 | 172.5 | 0 | 110.8 | V10 W59 S74 P76 D79 V80 | K8-V10 HydrophobicContact CG-CG2 4.48Å; K8-W59 HydrophobicContact CD-CD2 4.4Å; K8-W59 HydrophobicContact CD-CZ2 4.42Å; K8-W59 VanDerWaalsContact CE-CD2 3.46Å; K8-W59 VanDerWaalsContact CE-CE2 3.42Å; K8-W59 HydrophobicContact CG-CG 4.39Å; K8-S74 WeakPolarHBondContact CE-O 3.14Å; K8-S74 PolarHBondContact NZ-O 3.24Å; K8-P76 PolarHBondContact NZ-O 2.79Å; K8-D79 PolarHBondContact N-OD2 2.89Å; K8-D79 WeakPolarHBondContact O-CA 3.38Å; K8-D79 WeakPolarHBondContact O-CB 3.43Å; K8-D79 PolarHBondContact O-N 2.83Å; K8-V80 PolarHBondContact O-N 3.32Å |
| 9 | L | 98.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.6 | 172.2 | 179.9 | 154.5 | 0 | 0 | 0 | 108.9 | I11 L23 A57 L58 W59 V80 L82 F172 A175 | L9-I11 HydrophobicContact CD2-CB 4.48Å; L9-L23 HydrophobicContact CD2-CD2 4.29Å; L9-A57 PolarHBondContact N-O 2.89Å; L9-L58 HydrophobicContact CB-CD2 4.12Å; L9-L58 HydrophobicContact CD1-CD2 4.32Å; L9-L58 HydrophobicContact CD2-CD2 4.12Å; L9-L58 HydrophobicContact CG-CD2 4.43Å; L9-W59 PolarHBondContact O-N 2.85Å; L9-V80 WeakPolarHBondContact CA-O 3.3Å; L9-V80 HydrophobicContact CB-CG1 3.83Å; L9-V80 HydrophobicContact CD1-CG1 3.94Å; L9-V80 HydrophobicContact CG-CG1 3.87Å; L9-L82 HydrophobicContact CD1-CD1 4.05Å; L9-L82 HydrophobicContact CD1-CD2 4.37Å; L9-L82 HydrophobicContact CD1-CG 3.97Å; L9-L82 HydrophobicContact CD2-CD1 3.92Å; L9-L82 HydrophobicContact CD2-CG 3.93Å; L9-L82 HydrophobicContact CG-CD1 4.45Å; L9-L82 HydrophobicContact CG-CG 4.14Å; L9-F172 HydrophobicContact CD1-CD1 4.06Å; L9-F172 HydrophobicContact CD1-CE1 4.12Å; L9-A175 HydrophobicContact CD1-CB 3.73Å |
| 10 | V | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.1 | 170 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | K8 V12 W59 T61 Y75 T78 V80 V81 L82 | K8-V10 HydrophobicContact CG-CG2 4.48Å; V10-V12 HydrophobicContact CG1-CG1 4.19Å; V10-W59 HydrophobicContact CB-CB 4.37Å; V10-W59 HydrophobicContact CG1-CB 4.48Å; V10-W59 HydrophobicContact CG2-CB 3.83Å; V10-W59 HydrophobicContact CG2-CG 4.24Å; V10-T61 HydrophobicContact CG1-CG2 3.81Å; V10-Y75 HydrophobicContact CG1-CD1 3.97Å; V10-Y75 HydrophobicContact CG1-CE1 3.85Å; V10-T78 HydrophobicContact CB-CG2 4.02Å; V10-T78 HydrophobicContact CG2-CG2 3.7Å; V10-T78 VanDerWaalsContact CG2-OG1 3.24Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.47Å; V10-V80 PolarHBondContact N-O 2.91Å; V10-V80 VanDerWaalsContact N-O 3.14Å; V10-V81 CarbonylContact O-C 3.45Å; V10-V81 VanDerWaalsContact O-CA 3.3Å; V10-V81 WeakPolarHBondContact O-CA 3.47Å; V10-L82 PolarHBondContact O-N 2.98Å |
| 11 | I | 98.9 | Very high | 91 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.5 | 171.6 | -173 | 165.2 | 0 | 0 | 0 | 110.1 | L9 K19 L22 L23 W59 T61 L82 C84 | L9-I11 HydrophobicContact CD2-CB 4.48Å; I11-K19 HydrophobicContact CD1-CB 3.79Å; I11-K19 HydrophobicContact CD1-CG 3.91Å; I11-K19 HydrophobicContact CG1-CB 4.01Å; I11-K19 HydrophobicContact CG1-CD 3.95Å; I11-K19 HydrophobicContact CG1-CG 3.83Å; I11-K19 HydrophobicContact CG2-CB 4.02Å; I11-K19 HydrophobicContact CG2-CD 4.39Å; I11-L22 HydrophobicContact CD1-CD2 4.13Å; I11-L23 HydrophobicContact CG2-CD1 3.67Å; I11-L23 HydrophobicContact CG2-CD2 4.24Å; I11-L23 HydrophobicContact CG2-CG 4.08Å; I11-W59 PolarHBondContact N-O 3.16Å; I11-W59 VanDerWaalsContact N-O 3.15Å; I11-T61 WeakPolarHBondContact O-CG2 3.38Å; I11-T61 PolarHBondContact O-OG1 2.82Å; I11-L82 WeakPolarHBondContact CA-O 3.16Å; I11-L82 HydrophobicContact CB-CB 4Å; I11-L82 HydrophobicContact CD1-CB 4.12Å; I11-L82 HydrophobicContact CD1-CD1 4.09Å; I11-L82 HydrophobicContact CG1-CB 3.76Å; I11-C84 HydrophobicContact CD1-CB 3.96Å; I11-C84 HydrophobicContact CG1-CB 4.05Å |
| 12 | V | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162.1 | 178.2 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | V10 T61 Y75 V81 L82 L83 C84 W100 I104 | V10-V12 HydrophobicContact CG1-CG1 4.19Å; V12-T61 HydrophobicContact CG1-CG2 4.38Å; V12-Y75 HydrophobicContact CG1-CE1 3.81Å; V12-Y75 WeakPolarHBondContact CG1-OH 3.42Å; V12-V81 HydrophobicContact CG2-CG1 3.85Å; V12-L82 PolarHBondContact N-O 2.91Å; V12-L83 HydrophobicContact CG2-CD2 3.58Å; V12-L83 HydrophobicContact CG2-CG 4.42Å; V12-C84 PolarHBondContact O-N 2.97Å; V12-W100 HydrophobicContact CB-CE3 3.83Å; V12-W100 HydrophobicContact CB-CZ3 4.15Å; V12-W100 HydrophobicContact CG2-CE3 4.46Å; V12-I104 HydrophobicContact CG1-CD1 4.09Å; V12-I104 HydrophobicContact CG2-CD1 3.72Å; V12-I104 HydrophobicContact CG2-CG1 3.69Å |
| 13 | G | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | 144.1 | 167.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K19 G63 C84 W100 | G13-K19 PolarHBondContact O-NZ 3.37Å; G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.27Å; G13-C84 VanDerWaalsContact CA-O 3.31Å; G13-C84 WeakPolarHBondContact CA-O 3.19Å; G13-W100 WeakPolarHBondContact O-CH2 3.32Å; G13-W100 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 14 | D | 98.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | trans | -56.3 | 162.7 | -175.1 | -84 | 8.8 | 0 | 0 | 0 | 114.3 | C17 K19 S92 N95 W100 | D14-C17 PolarHBondContact O-SG 2.88Å; D14-K19 PolarHBondContact O-NZ 3.46Å; D14-S92 VanDerWaalsContact OD2-CA 3.29Å; D14-S92 WeakPolarHBondContact OD2-CA 3.43Å; D14-N95 PolarHBondContact OD1-ND2 2.9Å; D14-N95 PolarHBondContact OD2-ND2 3.4Å; D14-W100 PolarHBondContact OD1-NE1 3.21Å | ||
| 15 | G | 95.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 23 Ų | 23 | 34% | 0.34 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 143.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C17 G63 | G15-C17 PolarHBondContact O-N 3.01Å; G15-G63 PolarHBondContact N-O 2.9Å |
| 16 | A | 96 | Very high | 98 | Very high | 51 Ų | 51 | 21.7 Ų | 21.7 | 42% | 0.421 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 10.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | G18 Y35 K119 | A16-G18 PolarHBondContact O-N 2.93Å; A16-Y35 PolarHBondContact N-OH 2.96Å; A16-K119 WeakPolarHBondContact O-CE 3.28Å; A16-K119 PolarHBondContact O-NZ 2.83Å |
| 17 | C | 98.1 | Very high | 98.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -73.5 | -4.8 | 172.5 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | D14 G15 K19 C84 N118 | D14-C17 PolarHBondContact O-SG 2.88Å; G15-C17 PolarHBondContact O-N 3.01Å; C17-K19 VanDerWaalsContact SG-CG 3.54Å; C17-C84 PolarHBondContact SG-O 2.69Å; C17-C84 VanDerWaalsContact SG-O 3.37Å; C17-N118 PolarHBondContact O-ND2 3.28Å |
| 18 | G | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 93.7 | 21.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A16 T20 C21 L22 N118 | A16-G18 PolarHBondContact O-N 2.93Å; G18-T20 PolarHBondContact O-N 2.94Å; G18-C21 PolarHBondContact O-N 2.84Å; G18-L22 WeakPolarHBondContact O-CB 2.76Å; G18-L22 PolarHBondContact O-N 2.87Å; G18-N118 PolarHBondContact O-ND2 3.46Å |
| 19 | K | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50.3 | -55.1 | 176 | -57.2 | -173.7 | -63.6 | -72.5 | 0 | 112.6 | I11 G13 D14 C17 C21 L22 L23 T61 C84 | I11-K19 HydrophobicContact CD1-CB 3.79Å; I11-K19 HydrophobicContact CD1-CG 3.91Å; I11-K19 HydrophobicContact CG1-CB 4.01Å; I11-K19 HydrophobicContact CG1-CD 3.95Å; I11-K19 HydrophobicContact CG1-CG 3.83Å; I11-K19 HydrophobicContact CG2-CB 4.02Å; I11-K19 HydrophobicContact CG2-CD 4.39Å; G13-K19 PolarHBondContact O-NZ 3.37Å; D14-K19 PolarHBondContact O-NZ 3.46Å; C17-K19 VanDerWaalsContact SG-CG 3.54Å; K19-C21 PolarHBondContact O-N 2.98Å; K19-L22 WeakPolarHBondContact O-CB 3.35Å; K19-L22 PolarHBondContact O-N 3.3Å; K19-L22 VanDerWaalsContact O-N 3.15Å; K19-L23 WeakPolarHBondContact O-CG 3.3Å; K19-L23 PolarHBondContact O-N 3.11Å; K19-T61 WeakPolarHBondContact CE-O 3.41Å; K19-C84 HydrophobicContact CG-CB 4.22Å |
| 20 | T | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | -179.4 | -49.4 | 0 | 0 | 0 | 0 | 112 | G18 L22 L23 I24 T38 D60 | G18-T20 PolarHBondContact O-N 2.94Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.37Å; T20-L23 PolarHBondContact O-N 3.09Å; T20-I24 HydrophobicContact CG2-CD1 3.74Å; T20-I24 HydrophobicContact CG2-CG1 4.38Å; T20-I24 WeakPolarHBondContact O-CB 3.44Å; T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.48Å; T20-I24 PolarHBondContact O-N 2.97Å; T20-T38 PolarHBondContact OG1-OG1 3.34Å; T20-D60 VanDerWaalsContact CA-OD2 3.28Å; T20-D60 WeakPolarHBondContact CA-OD2 3.17Å; T20-D60 WeakPolarHBondContact CB-OD2 3.29Å; T20-D60 VanDerWaalsContact CG2-OD2 3.31Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.29Å; T20-D60 PolarHBondContact OG1-OD2 3.07Å |
| 21 | C | 98.2 | Very high | 97.5 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | G18 K19 I24 V25 F31 P32 A162 | G18-C21 PolarHBondContact O-N 2.84Å; K19-C21 PolarHBondContact O-N 2.98Å; C21-I24 PolarHBondContact O-N 3.31Å; C21-V25 VanDerWaalsContact O-CB 3.31Å; C21-V25 WeakPolarHBondContact O-CB 3.36Å; C21-V25 WeakPolarHBondContact O-CG2 3.49Å; C21-V25 PolarHBondContact O-N 2.73Å; C21-F31 HydrophobicContact CB-CD2 4.22Å; C21-F31 HydrophobicContact CB-CE2 3.71Å; C21-F31 HydrophobicContact CB-CZ 4.42Å; C21-P32 HydrophobicContact CB-CG 4.3Å; C21-A162 HydrophobicContact CB-CB 3.99Å |
| 22 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 179.5 | -176.5 | 61.4 | 0 | 0 | 0 | 111.8 | I11 G18 K19 T20 F26 V116 A162 V168 F172 | I11-L22 HydrophobicContact CD1-CD2 4.13Å; G18-L22 WeakPolarHBondContact O-CB 2.76Å; G18-L22 PolarHBondContact O-N 2.87Å; K19-L22 WeakPolarHBondContact O-CB 3.35Å; K19-L22 PolarHBondContact O-N 3.3Å; K19-L22 VanDerWaalsContact O-N 3.15Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.37Å; L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 2.86Å; L22-F26 VanDerWaalsContact O-N 3.08Å; L22-V116 HydrophobicContact CD2-CG1 4.04Å; L22-A162 HydrophobicContact CB-CB 4.35Å; L22-A162 HydrophobicContact CD1-CB 4.39Å; L22-V168 HydrophobicContact CD1-CB 4.35Å; L22-V168 HydrophobicContact CD1-CG1 3.97Å; L22-V168 HydrophobicContact CD1-CG2 3.82Å; L22-F172 HydrophobicContact CD1-CE2 4.19Å; L22-F172 HydrophobicContact CG-CE2 4.02Å; L22-F172 HydrophobicContact CG-CZ 4.19Å |
| 23 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 176.8 | -65.5 | -177.7 | 0 | 0 | 0 | 112.5 | L9 I11 K19 T20 F26 S27 Y43 L58 D60 F172 | L9-L23 HydrophobicContact CD2-CD2 4.29Å; I11-L23 HydrophobicContact CG2-CD1 3.67Å; I11-L23 HydrophobicContact CG2-CD2 4.24Å; I11-L23 HydrophobicContact CG2-CG 4.08Å; K19-L23 WeakPolarHBondContact O-CG 3.3Å; K19-L23 PolarHBondContact O-N 3.11Å; T20-L23 PolarHBondContact O-N 3.09Å; L23-F26 PolarHBondContact O-N 2.94Å; L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.12Å; L23-Y43 HydrophobicContact CB-CD2 4.25Å; L23-Y43 HydrophobicContact CB-CE2 4.4Å; L23-Y43 HydrophobicContact CD1-CD2 4.16Å; L23-Y43 HydrophobicContact CD1-CE2 4.31Å; L23-L58 HydrophobicContact CD1-CB 4.49Å; L23-L58 HydrophobicContact CD2-CB 4.11Å; L23-L58 HydrophobicContact CD2-CD1 4.29Å; L23-L58 HydrophobicContact CD2-CD2 4.32Å; L23-L58 HydrophobicContact CD2-CG 4.48Å; L23-D60 HydrophobicContact CD1-CB 3.48Å; L23-D60 VanDerWaalsContact CD1-CB 3.48Å; L23-F172 HydrophobicContact CD2-CE1 3.92Å; L23-F172 HydrophobicContact CD2-CZ 3.87Å |
| 24 | I | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 179.5 | -67.9 | 174.6 | 0 | 0 | 0 | 110.4 | T20 C21 F26 S27 K28 Q30 P32 Y43 | T20-I24 HydrophobicContact CG2-CD1 3.74Å; T20-I24 HydrophobicContact CG2-CG1 4.38Å; T20-I24 WeakPolarHBondContact O-CB 3.44Å; T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.48Å; T20-I24 PolarHBondContact O-N 2.97Å; C21-I24 PolarHBondContact O-N 3.31Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.38Å; I24-S27 PolarHBondContact O-N 2.86Å; I24-K28 HydrophobicContact CG2-CB 4.37Å; I24-K28 HydrophobicContact CG2-CD 4.28Å; I24-K28 WeakPolarHBondContact O-CA 3.46Å; I24-K28 WeakPolarHBondContact O-CB 3.4Å; I24-K28 PolarHBondContact O-N 2.91Å; I24-Q30 WeakPolarHBondContact CG2-O 3.49Å; I24-P32 HydrophobicContact CD1-CG 4.15Å; I24-Y43 HydrophobicContact CG1-CE1 3.97Å |
| 25 | V | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.8 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | C21 D29 Q30 F31 A162 K165 V168 | C21-V25 VanDerWaalsContact O-CB 3.31Å; C21-V25 WeakPolarHBondContact O-CB 3.36Å; C21-V25 WeakPolarHBondContact O-CG2 3.49Å; C21-V25 PolarHBondContact O-N 2.73Å; V25-D29 WeakPolarHBondContact O-CA 3.46Å; V25-D29 PolarHBondContact O-N 2.88Å; V25-Q30 WeakPolarHBondContact CG2-O 3.13Å; V25-F31 HydrophobicContact CG2-CB 4.03Å; V25-F31 HydrophobicContact CG2-CD2 3.9Å; V25-F31 HydrophobicContact CG2-CG 4.46Å; V25-A162 HydrophobicContact CG2-CB 4.21Å; V25-A162 WeakPolarHBondContact CG2-O 3.45Å; V25-K165 HydrophobicContact CG1-CB 4.48Å; V25-K165 HydrophobicContact CG1-CG 3.92Å; V25-V168 HydrophobicContact CG1-CG1 4.35Å; V25-V168 HydrophobicContact CG1-CG2 4.28Å |
| 26 | F | 98.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.8 | 172 | -114.9 | 0 | 0 | 0 | 113 | L22 L23 I24 A45 I47 L56 L58 V168 F172 | L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 2.86Å; L22-F26 VanDerWaalsContact O-N 3.08Å; L23-F26 PolarHBondContact O-N 2.94Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.38Å; F26-A45 HydrophobicContact CD1-CB 4.03Å; F26-A45 HydrophobicContact CE1-CB 3.47Å; F26-A45 VanDerWaalsContact CE1-CB 3.47Å; F26-A45 HydrophobicContact CZ-CB 4.12Å; F26-I47 HydrophobicContact CE2-CD1 4.07Å; F26-I47 HydrophobicContact CZ-CB 4.21Å; F26-I47 HydrophobicContact CZ-CD1 3.98Å; F26-L56 HydrophobicContact CE1-CD1 3.85Å; F26-L56 HydrophobicContact CZ-CD1 4.02Å; F26-L58 HydrophobicContact CD1-CD1 3.82Å; F26-L58 HydrophobicContact CE1-CD1 4.11Å; F26-L58 HydrophobicContact CE1-CD2 4.4Å; F26-V168 HydrophobicContact CB-CG1 3.93Å; F26-F172 HydrophobicContact CB-CD2 3.61Å; F26-F172 HydrophobicContact CB-CE1 4.37Å; F26-F172 HydrophobicContact CB-CE2 3.31Å; F26-F172 HydrophobicContact CB-CG 4.29Å; F26-F172 HydrophobicContact CB-CZ 3.73Å; F26-F172 HydrophobicContact CD1-CB 4.35Å; F26-F172 AromaticContact CD1-CD1 3.45Å; F26-F172 HydrophobicContact CD1-CD1 3.45Å; F26-F172 VanDerWaalsContact CD1-CD1 3.45Å; F26-F172 AromaticContact CD1-CD2 3.81Å; F26-F172 HydrophobicContact CD1-CD2 3.81Å; F26-F172 AromaticContact CD1-CE1 3.56Å; F26-F172 HydrophobicContact CD1-CE1 3.56Å; F26-F172 AromaticContact CD1-CE2 3.94Å; F26-F172 HydrophobicContact CD1-CE2 3.94Å; F26-F172 AromaticContact CD1-CG 3.59Å; F26-F172 HydrophobicContact CD1-CG 3.59Å; F26-F172 AromaticContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD2-CB 3.8Å; F26-F172 HydrophobicContact CD2-CD1 4.32Å; F26-F172 AromaticContact CD2-CD2 3.42Å; F26-F172 HydrophobicContact CD2-CD2 3.42Å; F26-F172 VanDerWaalsContact CD2-CD2 3.42Å; F26-F172 HydrophobicContact CD2-CE2 4.09Å; F26-F172 AromaticContact CD2-CG 3.58Å; F26-F172 HydrophobicContact CD2-CG 3.58Å; F26-F172 HydrophobicContact CE1-CB 4.04Å; F26-F172 AromaticContact CE1-CD1 3.51Å; F26-F172 HydrophobicContact CE1-CD1 3.51Å; F26-F172 HydrophobicContact CE1-CD2 4.35Å; F26-F172 HydrophobicContact CE1-CE1 4.03Å; F26-F172 AromaticContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE2-CB 3.46Å; F26-F172 VanDerWaalsContact CE2-CB 3.46Å; F26-F172 HydrophobicContact CE2-CD1 4.38Å; F26-F172 HydrophobicContact CE2-CD2 4.03Å; F26-F172 AromaticContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CG-CB 4.24Å; F26-F172 AromaticContact CG-CD1 3.88Å; F26-F172 HydrophobicContact CG-CD1 3.88Å; F26-F172 AromaticContact CG-CD2 3.31Å; F26-F172 HydrophobicContact CG-CD2 3.31Å; F26-F172 HydrophobicContact CG-CE1 4.03Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.53Å; F26-F172 HydrophobicContact CG-CG 3.53Å; F26-F172 AromaticContact CG-CZ 3.85Å; F26-F172 HydrophobicContact CG-CZ 3.85Å; F26-F172 HydrophobicContact CZ-CB 3.59Å; F26-F172 AromaticContact CZ-CD1 4Å; F26-F172 HydrophobicContact CZ-CD1 4Å; F26-F172 HydrophobicContact CZ-CD2 4.45Å; F26-F172 AromaticContact CZ-CG 3.76Å; F26-F172 HydrophobicContact CZ-CG 3.76Å |
| 27 | S | 96.8 | Very high | 95 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.6 | -25 | -173 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | L23 I24 | L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.12Å; I24-S27 PolarHBondContact O-N 2.86Å |
| 28 | K | 95.7 | Very high | 94.6 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -128.7 | -1.3 | -172.3 | -56.4 | -174.1 | -174 | 173.1 | 0 | 114 | I24 Q30 | I24-K28 HydrophobicContact CG2-CB 4.37Å; I24-K28 HydrophobicContact CG2-CD 4.28Å; I24-K28 WeakPolarHBondContact O-CA 3.46Å; I24-K28 WeakPolarHBondContact O-CB 3.4Å; I24-K28 PolarHBondContact O-N 2.91Å; K28-Q30 PolarHBondContact O-N 3.07Å |
| 29 | D | 95.2 | Very high | 94.2 | Very high | 108 Ų | 108 | 63.4 Ų | 63.4 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 55.4 | 23.9 | -178.7 | -161.9 | 43.6 | 0 | 0 | 0 | 114.7 | V25 K165 | V25-D29 WeakPolarHBondContact O-CA 3.46Å; V25-D29 PolarHBondContact O-N 2.88Å; D29-K165 WeakPolarHBondContact O-CE 3.3Å; D29-K165 PolarHBondContact O-NZ 2.79Å; D29-K165 WeakPolarHBondContact OD1-CE 3.49Å; D29-K165 IonicContact OD1-NZ 3.11Å; D29-K165 PolarHBondContact OD1-NZ 2.94Å; D29-K165 IonicContact OD2-NZ 3.99Å; D29-K165 PolarHBondContact OD2-NZ 2.98Å |
| 30 | Q | 94.8 | Very high | 93.8 | Very high | 131 Ų | 131 | 66.7 Ų | 66.7 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | trans | -127.8 | 133.2 | -178.2 | -172.5 | 178.4 | 25.3 | 0 | 0 | 110.7 | I24 V25 K28 | I24-Q30 WeakPolarHBondContact CG2-O 3.49Å; V25-Q30 WeakPolarHBondContact CG2-O 3.13Å; K28-Q30 PolarHBondContact O-N 3.07Å | ||
| 31 | F | 95.2 | Very high | 93.6 | Very high | 74 Ų | 74 | 69.7 Ų | 69.7 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | trans | -87.6 | 124.6 | 171.2 | -173.7 | -95.5 | 0 | 0 | 0 | 110 | C21 V25 A162 K163 | C21-F31 HydrophobicContact CB-CD2 4.22Å; C21-F31 HydrophobicContact CB-CE2 3.71Å; C21-F31 HydrophobicContact CB-CZ 4.42Å; V25-F31 HydrophobicContact CG2-CB 4.03Å; V25-F31 HydrophobicContact CG2-CD2 3.9Å; V25-F31 HydrophobicContact CG2-CG 4.46Å; F31-A162 HydrophobicContact CD2-CB 4.21Å; F31-A162 HydrophobicContact CE2-CB 4.07Å; F31-K163 VanDerWaalsContact CD2-CA 3.48Å; F31-K163 HydrophobicContact CD2-CB 4.18Å; F31-K163 HydrophobicContact CE1-CG 4.41Å; F31-K163 HydrophobicContact CE2-CB 3.86Å; F31-K163 HydrophobicContact CE2-CG 4.48Å; F31-K163 HydrophobicContact CZ-CB 4.11Å; F31-K163 HydrophobicContact CZ-CG 4.35Å | ||
| 32 | P | 93.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 72.7 Ų | 72.7 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | trans | -73.8 | 129.4 | 176.4 | 30.4 | -34.3 | 0 | 0 | 0 | 110.8 | C21 I24 | C21-P32 HydrophobicContact CB-CG 4.3Å; I24-P32 HydrophobicContact CD1-CG 4.15Å | ||
| 33 | E | 89.3 | Confident | 93.3 | Very high | 191 Ų | 191 | 73.8 Ų | 73.8 | 89% | 0.893 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -84.3 | -19.2 | 179.5 | -63.3 | -172.6 | 170.1 | 0 | 0 | 113.4 | ||
| 34 | V | 89 | Confident | 93.2 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 72% | 0.715 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -104.8 | 125.9 | -179.6 | -178 | 0 | 0 | 0 | 0 | 109.5 | V36 | V34-V36 HydrophobicContact CG1-CG2 4.38Š|
| 35 | Y | 83.4 | Confident | 93.2 | Very high | 133 Ų | 133 | 76.9 Ų | 76.9 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | trans | -89.3 | 125.2 | 173.6 | 175.9 | -112.9 | 0 | 0 | 0 | 111.1 | A16 P37 | A16-Y35 PolarHBondContact N-OH 2.96Å; Y35-P37 HydrophobicContact CE1-CG 3.81Å | ||
| 36 | V | 87.6 | Confident | 93.1 | Very high | 103 Ų | 103 | 82.6 Ų | 82.6 | 62% | 0.624 | 43% | 0.425 | S | S | * | . | trans | -126.3 | 126.4 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | V34 T38 | V34-V36 HydrophobicContact CG1-CG2 4.38Å; V36-T38 PolarHBondContact O-N 3.12Å | ||
| 37 | P | 91.5 | Very high | 93 | Very high | 60 Ų | 60 | 81.5 Ų | 81.5 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | trans | -61.6 | 124.2 | 176.5 | -20.2 | 30.2 | 0 | 0 | 0 | 111.7 | Y35 | Y35-P37 HydrophobicContact CE1-CG 3.81Š| ||
| 38 | T | 91.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 85.1 Ų | 85.1 | 9% | 0.086 | 44% | 0.435 | C | S | . | . | trans | -73.1 | 135.8 | -178.2 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | T20 V36 E41 D60 A62 | T20-T38 PolarHBondContact OG1-OG1 3.34Å; V36-T38 PolarHBondContact O-N 3.12Å; T38-E41 HydrophobicContact CG2-CB 4.45Å; T38-E41 HydrophobicContact CG2-CG 4.19Å; T38-D60 HydrophobicContact CG2-CB 4.31Å; T38-A62 WeakPolarHBondContact O-CA 3.24Å; T38-A62 WeakPolarHBondContact O-CB 3.39Å | ||
| 39 | V | 89.4 | Confident | 93 | Very high | 77 Ų | 77 | 79.2 Ų | 79.2 | 47% | 0.467 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -86 | -62.4 | 163.7 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | A62 Y67 | V39-A62 WeakPolarHBondContact O-CB 3.22Å; V39-A62 PolarHBondContact O-N 3.06Å; V39-Y67 HydrophobicContact CB-CE1 4.14Å; V39-Y67 HydrophobicContact CG1-CD1 3.92Å; V39-Y67 HydrophobicContact CG1-CE1 3.46Å; V39-Y67 VanDerWaalsContact CG1-CE1 3.46Å; V39-Y67 HydrophobicContact CG2-CE1 3.91Å; V39-Y67 WeakPolarHBondContact CG2-OH 3.37Å |
| 40 | F | 90.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 77.9 Ų | 77.9 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 132.5 | 176.5 | 173.3 | -110 | 0 | 0 | 0 | 109.1 | N42 W59 D60 S74 | F40-N42 WeakPolarHBondContact CE1-ND2 3.47Å; F40-N42 VanDerWaalsContact CZ-CG 3.47Å; F40-N42 WeakPolarHBondContact CZ-ND2 3.32Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.44Å; F40-W59 HydrophobicContact CE1-CE3 4.47Å; F40-W59 HydrophobicContact CE1-CZ3 4.29Å; F40-W59 HydrophobicContact CE2-CB 4.33Å; F40-W59 HydrophobicContact CE2-CD2 4.04Å; F40-W59 AromaticContact CE2-CE3 3.3Å; F40-W59 HydrophobicContact CE2-CE3 3.3Å; F40-W59 AromaticContact CE2-CZ3 3.84Å; F40-W59 HydrophobicContact CE2-CZ3 3.84Å; F40-W59 AromaticContact CZ-CD2 3.92Å; F40-W59 HydrophobicContact CZ-CD2 3.92Å; F40-W59 AromaticContact CZ-CE3 3.2Å; F40-W59 HydrophobicContact CZ-CE3 3.2Å; F40-W59 HydrophobicContact CZ-CH2 4.15Å; F40-W59 AromaticContact CZ-CZ3 3.33Å; F40-W59 HydrophobicContact CZ-CZ3 3.33Å; F40-D60 WeakPolarHBondContact CA-O 3.13Å; F40-D60 WeakPolarHBondContact CD2-O 3.38Å; F40-S74 WeakPolarHBondContact CD2-OG 3.46Å; F40-S74 WeakPolarHBondContact CE2-OG 3.42Å |
| 41 | E | 94.1 | Very high | 92.7 | Very high | 90 Ų | 90 | 78.8 Ų | 78.8 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.3 | 175 | -70 | -170 | -157 | 0 | 0 | 111 | T38 Y43 D60 | T38-E41 HydrophobicContact CG2-CB 4.45Å; T38-E41 HydrophobicContact CG2-CG 4.19Å; E41-Y43 HydrophobicContact CB-CE2 3.98Å; E41-Y43 VanDerWaalsContact OE2-CZ 3.28Å; E41-Y43 PolarHBondContact OE2-OH 3.32Å; E41-D60 HydrophobicContact CB-CB 4.19Å; E41-D60 PolarHBondContact N-O 2.85Å; E41-D60 WeakPolarHBondContact O-CB 3.47Å; E41-D60 PolarHBondContact O-N 3.49Å |
| 42 | N | 94.5 | Very high | 92.6 | Very high | 85 Ų | 85 | 79.4 Ų | 79.4 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | 175 | -70.8 | -52.4 | 0 | 0 | 0 | 110.6 | F40 L58 W59 | F40-N42 WeakPolarHBondContact CE1-ND2 3.47Å; F40-N42 VanDerWaalsContact CZ-CG 3.47Å; F40-N42 WeakPolarHBondContact CZ-ND2 3.32Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.44Å; N42-L58 WeakPolarHBondContact CA-O 3.34Å; N42-W59 VanDerWaalsContact OD1-CD2 3.26Å |
| 43 | Y | 95.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 82.3 Ų | 82.3 | 9% | 0.09 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 162.2 | 170.6 | -51 | -90.1 | 0 | 0 | 0 | 109.8 | L23 I24 E41 L58 D60 | L23-Y43 HydrophobicContact CB-CD2 4.25Å; L23-Y43 HydrophobicContact CB-CE2 4.4Å; L23-Y43 HydrophobicContact CD1-CD2 4.16Å; L23-Y43 HydrophobicContact CD1-CE2 4.31Å; I24-Y43 HydrophobicContact CG1-CE1 3.97Å; E41-Y43 HydrophobicContact CB-CE2 3.98Å; E41-Y43 VanDerWaalsContact OE2-CZ 3.28Å; E41-Y43 PolarHBondContact OE2-OH 3.32Å; Y43-L58 PolarHBondContact N-O 2.89Å; Y43-L58 PolarHBondContact O-N 2.69Å; Y43-D60 HydrophobicContact CE2-CB 4.18Å |
| 44 | V | 96.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 47% | 0.473 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137 | 170.2 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | E55 L56 | V44-E55 HydrophobicContact CG1-CG 3.45Å; V44-E55 VanDerWaalsContact CG1-CG 3.45Å; V44-L56 WeakPolarHBondContact CA-O 3.3Å |
| 45 | A | 96.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 135.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F26 L56 L58 | F26-A45 HydrophobicContact CD1-CB 4.03Å; F26-A45 HydrophobicContact CE1-CB 3.47Å; F26-A45 VanDerWaalsContact CE1-CB 3.47Å; F26-A45 HydrophobicContact CZ-CB 4.12Å; A45-L56 PolarHBondContact N-O 3.49Å; A45-L56 PolarHBondContact O-N 2.96Å; A45-L58 HydrophobicContact CB-CD1 3.97Å |
| 46 | D | 96.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 64.2 Ų | 64.2 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.6 | 171.5 | -65.5 | -44.3 | 0 | 0 | 0 | 109.6 | V54 | D46-V54 WeakPolarHBondContact CA-O 3.43Å |
| 47 | I | 96.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.9 | 177.5 | -171.8 | 176.2 | 0 | 0 | 0 | 110.2 | F26 V49 V54 L56 F172 V173 T176 | F26-I47 HydrophobicContact CE2-CD1 4.07Å; F26-I47 HydrophobicContact CZ-CB 4.21Å; F26-I47 HydrophobicContact CZ-CD1 3.98Å; I47-V49 HydrophobicContact CD1-CG2 3.94Å; I47-V49 HydrophobicContact CG1-CG2 3.99Å; I47-V54 HydrophobicContact CG2-CB 4.12Å; I47-V54 PolarHBondContact N-O 2.92Å; I47-V54 PolarHBondContact O-N 2.9Å; I47-L56 HydrophobicContact CG2-CD1 3.75Å; I47-L56 HydrophobicContact CG2-CG 3.92Å; I47-F172 HydrophobicContact CD1-CB 4.23Å; I47-V173 HydrophobicContact CD1-CG2 4.03Å; I47-T176 HydrophobicContact CG2-CG2 4.05Å |
| 48 | E | 95.5 | Very high | 95.1 | Very high | 109 Ų | 109 | 56.7 Ų | 56.7 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.6 | 171.3 | -174.3 | 170.6 | -170.4 | 0 | 0 | 110.5 | R52 Q53 | E48-R52 WeakPolarHBondContact CA-O 3.34Å; E48-Q53 PolarHBondContact OE2-NE2 3.22Å |
| 49 | V | 95.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.9 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | I47 N51 R52 V173 T176 R177 L180 | I47-V49 HydrophobicContact CD1-CG2 3.94Å; I47-V49 HydrophobicContact CG1-CG2 3.99Å; V49-N51 VanDerWaalsContact C-N 3.3Å; V49-N51 PolarHBondContact O-N 3.44Å; V49-R52 PolarHBondContact N-O 2.9Å; V49-R52 WeakPolarHBondContact O-CB 3.39Å; V49-R52 PolarHBondContact O-N 3.31Å; V49-V173 HydrophobicContact CG1-CG1 4.36Å; V49-V173 HydrophobicContact CG2-CB 4.47Å; V49-V173 HydrophobicContact CG2-CG1 4.29Å; V49-V173 HydrophobicContact CG2-CG2 4.36Å; V49-T176 HydrophobicContact CB-CG2 3.85Å; V49-T176 HydrophobicContact CG1-CG2 4.47Å; V49-T176 HydrophobicContact CG2-CG2 3.61Å; V49-R177 HydrophobicContact CG1-CB 4.11Å; V49-L180 HydrophobicContact CB-CD1 4.45Å |
| 50 | D | 93.2 | Very high | 95.9 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 46.8 | -179.5 | -45.6 | -30.6 | 0 | 0 | 0 | 111.8 | R52 R177 | D50-R52 PolarHBondContact O-N 3.43Å; D50-R52 IonicContact OD2-NH2 3.43Å; D50-R52 PolarHBondContact OD2-NH2 2.93Å; D50-R177 IonicContact OD1-CZ 2.87Å; D50-R177 IonicContact OD1-NE 3.38Å; D50-R177 PolarHBondContact OD1-NE 2.71Å; D50-R177 IonicContact OD1-NH2 3.56Å; D50-R177 PolarHBondContact OD1-NH2 3.4Å; D50-R177 IonicContact OD2-NE 2.98Å; D50-R177 PolarHBondContact OD2-NE 2.81Å; D50-R177 VanDerWaalsContact OD2-NE 3.11Å |
| 51 | N | 92.2 | Very high | 96.3 | Very high | 149 Ų | 149 | 51.5 Ų | 51.5 | 80% | 0.797 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.5 | -176.1 | -56.6 | -20.2 | 0 | 0 | 0 | 114.8 | V49 | V49-N51 VanDerWaalsContact C-N 3.3Å; V49-N51 PolarHBondContact O-N 3.44Å |
| 52 | R | 93.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.4 | 175 | -63.4 | 176.3 | -77.8 | -178.9 | -0.9 | 109.2 | E48 V49 D50 L180 | E48-R52 WeakPolarHBondContact CA-O 3.34Å; V49-R52 PolarHBondContact N-O 2.9Å; V49-R52 WeakPolarHBondContact O-CB 3.39Å; V49-R52 PolarHBondContact O-N 3.31Å; D50-R52 PolarHBondContact O-N 3.43Å; D50-R52 IonicContact OD2-NH2 3.43Å; D50-R52 PolarHBondContact OD2-NH2 2.93Å; R52-L180 HydrophobicContact CB-CD1 4.46Å |
| 53 | Q | 96.2 | Very high | 96.3 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 45% | 0.453 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.9 | 171.7 | -63.7 | -63.8 | -25.9 | 0 | 0 | 109.5 | A4 V5 E48 | A4-Q53 WeakPolarHBondContact CA-O 3.49Å; V5-Q53 PolarHBondContact N-O 2.92Å; V5-Q53 VanDerWaalsContact N-O 3.16Å; E48-Q53 PolarHBondContact OE2-NE2 3.22Å |
| 54 | V | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128 | -177.2 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | V5 K7 D46 I47 L56 T176 L180 | V5-V54 VanDerWaalsContact O-CA 3.3Å; V5-V54 WeakPolarHBondContact O-CA 3.4Å; V5-V54 WeakPolarHBondContact O-CG1 3.44Å; K7-V54 HydrophobicContact CB-CG1 3.97Å; K7-V54 HydrophobicContact CG-CG1 3.93Å; D46-V54 WeakPolarHBondContact CA-O 3.43Å; I47-V54 HydrophobicContact CG2-CB 4.12Å; I47-V54 PolarHBondContact N-O 2.92Å; I47-V54 PolarHBondContact O-N 2.9Å; V54-L56 HydrophobicContact CG1-CD2 4.17Å; V54-L56 HydrophobicContact CG1-CG 4.29Å; V54-T176 HydrophobicContact CB-CG2 4Å; V54-T176 HydrophobicContact CG1-CG2 4.03Å; V54-T176 HydrophobicContact CG2-CG2 3.79Å; V54-L180 HydrophobicContact CG2-CD1 3.83Å; V54-L180 HydrophobicContact CG2-CD2 3.85Å; V54-L180 HydrophobicContact CG2-CG 4.14Å |
| 55 | E | 97.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.4 | 165.4 | -175 | -169.3 | 89.6 | 0 | 0 | 107.7 | V5 R6 K7 V44 | V5-E55 PolarHBondContact O-N 3.02Å; V5-E55 VanDerWaalsContact O-N 3.07Å; R6-E55 WeakPolarHBondContact CA-O 3.35Å; R6-E55 WeakPolarHBondContact CD-OE1 3.4Å; R6-E55 HydrophobicContact CG-CB 4.45Å; R6-E55 WeakPolarHBondContact CG-OE1 3.41Å; R6-E55 IonicContact CZ-OE1 2.64Å; R6-E55 IonicContact NE-OE1 3.83Å; R6-E55 PolarHBondContact NE-OE1 3.44Å; K7-E55 PolarHBondContact N-O 3.36Å; V44-E55 HydrophobicContact CG1-CG 3.45Å; V44-E55 VanDerWaalsContact CG1-CG 3.45Å |
| 56 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.3 | 173 | -74.2 | 177.1 | 0 | 0 | 0 | 110.2 | K7 F26 V44 A45 I47 V54 L58 F172 T176 | K7-L56 HydrophobicContact CB-CD2 3.99Å; K7-L56 CarbonylContact O-C 3.59Å; K7-L56 WeakPolarHBondContact O-CA 3.47Å; F26-L56 HydrophobicContact CE1-CD1 3.85Å; F26-L56 HydrophobicContact CZ-CD1 4.02Å; V44-L56 WeakPolarHBondContact CA-O 3.3Å; A45-L56 PolarHBondContact N-O 3.49Å; A45-L56 PolarHBondContact O-N 2.96Å; I47-L56 HydrophobicContact CG2-CD1 3.75Å; I47-L56 HydrophobicContact CG2-CG 3.92Å; V54-L56 HydrophobicContact CG1-CD2 4.17Å; V54-L56 HydrophobicContact CG1-CG 4.29Å; L56-L58 HydrophobicContact CB-CD2 3.83Å; L56-L58 HydrophobicContact CB-CG 4.33Å; L56-L58 HydrophobicContact CD1-CD2 4.16Å; L56-F172 HydrophobicContact CD1-CD1 4.36Å; L56-T176 WeakPolarHBondContact CD1-OG1 3.35Å |
| 57 | A | 98.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 109.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | K7 L9 | K7-A57 PolarHBondContact O-N 3.45Å; L9-A57 PolarHBondContact N-O 2.89Å |
| 58 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117 | -175.9 | -54.2 | 174.1 | 0 | 0 | 0 | 109.5 | L9 L23 F26 N42 Y43 A45 L56 F172 | L9-L58 HydrophobicContact CB-CD2 4.12Å; L9-L58 HydrophobicContact CD1-CD2 4.32Å; L9-L58 HydrophobicContact CD2-CD2 4.12Å; L9-L58 HydrophobicContact CG-CD2 4.43Å; L23-L58 HydrophobicContact CD1-CB 4.49Å; L23-L58 HydrophobicContact CD2-CB 4.11Å; L23-L58 HydrophobicContact CD2-CD1 4.29Å; L23-L58 HydrophobicContact CD2-CD2 4.32Å; L23-L58 HydrophobicContact CD2-CG 4.48Å; F26-L58 HydrophobicContact CD1-CD1 3.82Å; F26-L58 HydrophobicContact CE1-CD1 4.11Å; F26-L58 HydrophobicContact CE1-CD2 4.4Å; N42-L58 WeakPolarHBondContact CA-O 3.34Å; Y43-L58 PolarHBondContact N-O 2.89Å; Y43-L58 PolarHBondContact O-N 2.69Å; A45-L58 HydrophobicContact CB-CD1 3.97Å; L56-L58 HydrophobicContact CB-CD2 3.83Å; L56-L58 HydrophobicContact CB-CG 4.33Å; L56-L58 HydrophobicContact CD1-CD2 4.16Å; L58-F172 HydrophobicContact CD2-CD1 4.38Å; L58-F172 HydrophobicContact CD2-CE1 4.02Å |
| 59 | W | 98.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 107.4 | -178.3 | -71.5 | 59.1 | 0 | 0 | 0 | 109.2 | K8 L9 V10 I11 F40 N42 | K8-W59 HydrophobicContact CD-CD2 4.4Å; K8-W59 HydrophobicContact CD-CZ2 4.42Å; K8-W59 VanDerWaalsContact CE-CD2 3.46Å; K8-W59 VanDerWaalsContact CE-CE2 3.42Å; K8-W59 HydrophobicContact CG-CG 4.39Å; L9-W59 PolarHBondContact O-N 2.85Å; V10-W59 HydrophobicContact CB-CB 4.37Å; V10-W59 HydrophobicContact CG1-CB 4.48Å; V10-W59 HydrophobicContact CG2-CB 3.83Å; V10-W59 HydrophobicContact CG2-CG 4.24Å; I11-W59 PolarHBondContact N-O 3.16Å; I11-W59 VanDerWaalsContact N-O 3.15Å; F40-W59 HydrophobicContact CE1-CE3 4.47Å; F40-W59 HydrophobicContact CE1-CZ3 4.29Å; F40-W59 HydrophobicContact CE2-CB 4.33Å; F40-W59 HydrophobicContact CE2-CD2 4.04Å; F40-W59 AromaticContact CE2-CE3 3.3Å; F40-W59 HydrophobicContact CE2-CE3 3.3Å; F40-W59 AromaticContact CE2-CZ3 3.84Å; F40-W59 HydrophobicContact CE2-CZ3 3.84Å; F40-W59 AromaticContact CZ-CD2 3.92Å; F40-W59 HydrophobicContact CZ-CD2 3.92Å; F40-W59 AromaticContact CZ-CE3 3.2Å; F40-W59 HydrophobicContact CZ-CE3 3.2Å; F40-W59 HydrophobicContact CZ-CH2 4.15Å; F40-W59 AromaticContact CZ-CZ3 3.33Å; F40-W59 HydrophobicContact CZ-CZ3 3.33Å; N42-W59 VanDerWaalsContact OD1-CD2 3.26Å |
| 60 | D | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.7 | 176 | -162.9 | 5.8 | 0 | 0 | 0 | 110.7 | T20 L23 T38 F40 E41 Y43 | T20-D60 VanDerWaalsContact CA-OD2 3.28Å; T20-D60 WeakPolarHBondContact CA-OD2 3.17Å; T20-D60 WeakPolarHBondContact CB-OD2 3.29Å; T20-D60 VanDerWaalsContact CG2-OD2 3.31Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.29Å; T20-D60 PolarHBondContact OG1-OD2 3.07Å; L23-D60 HydrophobicContact CD1-CB 3.48Å; L23-D60 VanDerWaalsContact CD1-CB 3.48Å; T38-D60 HydrophobicContact CG2-CB 4.31Å; F40-D60 WeakPolarHBondContact CA-O 3.13Å; F40-D60 WeakPolarHBondContact CD2-O 3.38Å; E41-D60 HydrophobicContact CB-CB 4.19Å; E41-D60 PolarHBondContact N-O 2.85Å; E41-D60 WeakPolarHBondContact O-CB 3.47Å; E41-D60 PolarHBondContact O-N 3.49Å; Y43-D60 HydrophobicContact CE2-CB 4.18Å |
| 61 | T | 98 | Very high | 95.7 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.4 | -172.4 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | V10 I11 V12 K19 G63 R71 | V10-T61 HydrophobicContact CG1-CG2 3.81Å; I11-T61 WeakPolarHBondContact O-CG2 3.38Å; I11-T61 PolarHBondContact O-OG1 2.82Å; V12-T61 HydrophobicContact CG1-CG2 4.38Å; K19-T61 WeakPolarHBondContact CE-O 3.41Å; T61-G63 PolarHBondContact O-N 2.84Å; T61-R71 HydrophobicContact CG2-CG 4.19Å |
| 62 | A | 96.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | trans | -62.2 | 133 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 V39 Y67 R71 | T38-A62 WeakPolarHBondContact O-CA 3.24Å; T38-A62 WeakPolarHBondContact O-CB 3.39Å; V39-A62 WeakPolarHBondContact O-CB 3.22Å; V39-A62 PolarHBondContact O-N 3.06Å; A62-Y67 HydrophobicContact CB-CD1 4.38Å; A62-Y67 HydrophobicContact CB-CD2 3.59Å; A62-Y67 HydrophobicContact CB-CE2 4.43Å; A62-Y67 HydrophobicContact CB-CG 3.55Å; A62-R71 PolarHBondContact O-NE 3.45Å; A62-R71 PolarHBondContact O-NH2 2.74Å | ||
| 63 | G | 94 | Very high | 96.1 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | trans | -90.2 | -6.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G13 G15 T61 | G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.27Å; G15-G63 PolarHBondContact N-O 2.9Å; T61-G63 PolarHBondContact O-N 2.84Å | ||
| 64 | Q | 92.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -84.8 | 149 | -178.5 | -57.5 | 175.4 | 47.6 | 0 | 0 | 111.1 | D66 Y67 R71 | Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.11Å; Q64-Y67 HydrophobicContact CB-CD2 4.16Å; Q64-Y67 PolarHBondContact O-N 3.36Å; Q64-R71 PolarHBondContact O-NH2 3.49Å |
| 65 | E | 91.2 | Very high | 96.1 | Very high | 140 Ų | 140 | 53.1 Ų | 53.1 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -65.7 | -29.6 | 179.7 | -69.9 | 177.6 | 178.2 | 0 | 0 | 113.2 | Y67 D68 K99 | E65-Y67 PolarHBondContact O-N 3.14Å; E65-D68 VanDerWaalsContact O-CB 3.3Å; E65-D68 WeakPolarHBondContact O-CB 3.43Å; E65-D68 VanDerWaalsContact O-CG 3.23Å; E65-D68 PolarHBondContact O-N 2.98Å; E65-K99 VanDerWaalsContact CG-NZ 3.27Å; E65-K99 IonicContact OE1-NZ 2.97Å |
| 66 | D | 93.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 53.4 Ų | 53.4 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -55.1 | -22.6 | 176.4 | -66.2 | -29 | 0 | 0 | 0 | 112.9 | Q64 | Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.11Å |
| 67 | Y | 94.3 | Very high | 96 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -103.5 | 7 | 179.9 | -63 | -82.9 | 0 | 0 | 0 | 114 | V39 A62 Q64 E65 R69 L70 R71 | V39-Y67 HydrophobicContact CB-CE1 4.14Å; V39-Y67 HydrophobicContact CG1-CD1 3.92Å; V39-Y67 HydrophobicContact CG1-CE1 3.46Å; V39-Y67 VanDerWaalsContact CG1-CE1 3.46Å; V39-Y67 HydrophobicContact CG2-CE1 3.91Å; V39-Y67 WeakPolarHBondContact CG2-OH 3.37Å; A62-Y67 HydrophobicContact CB-CD1 4.38Å; A62-Y67 HydrophobicContact CB-CD2 3.59Å; A62-Y67 HydrophobicContact CB-CE2 4.43Å; A62-Y67 HydrophobicContact CB-CG 3.55Å; Q64-Y67 HydrophobicContact CB-CD2 4.16Å; Q64-Y67 PolarHBondContact O-N 3.36Å; E65-Y67 PolarHBondContact O-N 3.14Å; Y67-R69 PolarHBondContact O-N 2.87Å; Y67-R69 VanDerWaalsContact O-N 3.08Å; Y67-L70 HydrophobicContact CD1-CD1 4.01Å; Y67-L70 HydrophobicContact CE1-CD1 4.48Å; Y67-L70 PolarHBondContact O-N 2.95Å; Y67-R71 WeakPolarHBondContact O-CB 3.17Å; Y67-R71 PolarHBondContact O-N 3.37Å |
| 68 | D | 94.7 | Very high | 96 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.9 | -178.4 | -78.7 | -7.8 | 0 | 0 | 0 | 112.8 | E65 R71 P72 K99 | E65-D68 VanDerWaalsContact O-CB 3.3Å; E65-D68 WeakPolarHBondContact O-CB 3.43Å; E65-D68 VanDerWaalsContact O-CG 3.23Å; E65-D68 PolarHBondContact O-N 2.98Å; D68-R71 IonicContact OD1-CZ 2.91Å; D68-R71 VanDerWaalsContact OD1-CZ 3.24Å; D68-R71 IonicContact OD1-NH1 2.98Å; D68-R71 PolarHBondContact OD1-NH1 3.24Å; D68-R71 IonicContact OD1-NH2 3.5Å; D68-R71 PolarHBondContact OD1-NH2 3.2Å; D68-P72 WeakPolarHBondContact O-CD 3.34Å; D68-K99 IonicContact OD1-NZ 2.69Å |
| 69 | R | 94.3 | Very high | 96 | Very high | 239 Ų | 239 | 59 Ų | 59 | 90% | 0.902 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -24.1 | 177 | -64.8 | -174.7 | 179.5 | -175.3 | 0.9 | 114 | Y67 | Y67-R69 PolarHBondContact O-N 2.87Å; Y67-R69 VanDerWaalsContact O-N 3.08Å |
| 70 | L | 94.7 | Very high | 96 | Very high | 100 Ų | 100 | 56 Ų | 56 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -35 | -176.9 | -66.9 | 178.5 | 0 | 0 | 0 | 111.9 | Y67 P72 L73 | Y67-L70 HydrophobicContact CD1-CD1 4.01Å; Y67-L70 HydrophobicContact CE1-CD1 4.48Å; Y67-L70 PolarHBondContact O-N 2.95Å; L70-P72 VanDerWaalsContact C-CD 3.42Å; L70-P72 VanDerWaalsContact C-N 3.3Å; L70-L73 HydrophobicContact CD2-CD1 4.24Å; L70-L73 VanDerWaalsContact O-CB 3.29Å; L70-L73 WeakPolarHBondContact O-CB 3.37Å; L70-L73 WeakPolarHBondContact O-CG 3.41Å; L70-L73 PolarHBondContact O-N 3.35Å |
| 71 | R | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -50.6 | -42.5 | -179.5 | -161.2 | -173.4 | -52 | 111.1 | 5.2 | 113.2 | T61 A62 Q64 Y67 D68 L73 S74 Y75 W100 E103 | T61-R71 HydrophobicContact CG2-CG 4.19Å; A62-R71 PolarHBondContact O-NE 3.45Å; A62-R71 PolarHBondContact O-NH2 2.74Å; Q64-R71 PolarHBondContact O-NH2 3.49Å; Y67-R71 WeakPolarHBondContact O-CB 3.17Å; Y67-R71 PolarHBondContact O-N 3.37Å; D68-R71 IonicContact OD1-CZ 2.91Å; D68-R71 VanDerWaalsContact OD1-CZ 3.24Å; D68-R71 IonicContact OD1-NH1 2.98Å; D68-R71 PolarHBondContact OD1-NH1 3.24Å; D68-R71 IonicContact OD1-NH2 3.5Å; D68-R71 PolarHBondContact OD1-NH2 3.2Å; R71-L73 PolarHBondContact O-N 3.14Å; R71-L73 VanDerWaalsContact O-N 3.08Å; R71-S74 VanDerWaalsContact O-CB 3.23Å; R71-S74 WeakPolarHBondContact O-CB 3.36Å; R71-S74 PolarHBondContact O-N 3.26Å; R71-S74 PolarHBondContact O-OG 3.27Å; R71-Y75 WeakPolarHBondContact CD-OH 3.29Å; R71-Y75 HydrophobicContact CG-CE1 4.43Å; R71-Y75 WeakPolarHBondContact CG-OH 3.48Å; R71-W100 VanDerWaalsContact CZ-CH2 3.49Å; R71-W100 VanDerWaalsContact CZ-CZ3 3.44Å; R71-E103 WeakPolarHBondContact CD-OE1 3.47Å; R71-E103 IonicContact CZ-OE1 3.83Å; R71-E103 IonicContact NH1-OE1 2.75Å; R71-E103 PolarHBondContact NH1-OE1 2.85Å; R71-E103 VanDerWaalsContact NH1-OE1 3.11Å; R71-E103 IonicContact NH1-OE2 3.62Å; R71-E103 PolarHBondContact NH1-OE2 3.11Å |
| 72 | P | 97.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 56 Ų | 56 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.2 | -18.8 | -178.9 | -26 | 37.3 | 0 | 0 | 0 | 115.6 | D68 L70 S74 Y75 P76 F107 | D68-P72 WeakPolarHBondContact O-CD 3.34Å; L70-P72 VanDerWaalsContact C-CD 3.42Å; L70-P72 VanDerWaalsContact C-N 3.3Å; P72-S74 PolarHBondContact O-N 2.66Å; P72-Y75 VanDerWaalsContact CA-CD2 3.44Å; P72-Y75 HydrophobicContact CB-CD2 3.95Å; P72-Y75 HydrophobicContact CB-CE2 4.11Å; P72-Y75 HydrophobicContact CG-CE2 4.22Å; P72-Y75 WeakPolarHBondContact O-CB 3.3Å; P72-Y75 PolarHBondContact O-N 3.2Å; P72-Y75 VanDerWaalsContact O-N 3.11Å; P72-P76 WeakPolarHBondContact O-CD 3.38Å; P72-F107 HydrophobicContact CB-CD1 4.07Å; P72-F107 HydrophobicContact CB-CD2 4.15Å; P72-F107 HydrophobicContact CB-CE1 3.67Å; P72-F107 HydrophobicContact CB-CE2 3.76Å; P72-F107 HydrophobicContact CB-CG 4.31Å; P72-F107 HydrophobicContact CB-CZ 3.51Å; P72-F107 HydrophobicContact CG-CD2 4.26Å; P72-F107 HydrophobicContact CG-CE1 4.23Å; P72-F107 HydrophobicContact CG-CE2 3.55Å; P72-F107 HydrophobicContact CG-CZ 3.54Å |
| 73 | L | 96.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 55.9 Ų | 55.9 | 65% | 0.654 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -64.5 | -17.3 | 172.8 | -57.6 | 178.2 | 0 | 0 | 0 | 112.4 | L70 R71 P76 | L70-L73 HydrophobicContact CD2-CD1 4.24Å; L70-L73 VanDerWaalsContact O-CB 3.29Å; L70-L73 WeakPolarHBondContact O-CB 3.37Å; L70-L73 WeakPolarHBondContact O-CG 3.41Å; L70-L73 PolarHBondContact O-N 3.35Å; R71-L73 PolarHBondContact O-N 3.14Å; R71-L73 VanDerWaalsContact O-N 3.08Å; L73-P76 WeakPolarHBondContact O-CD 3.26Å |
| 74 | S | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -81.5 | -16.7 | 175.5 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | K8 F40 R71 P72 | K8-S74 WeakPolarHBondContact CE-O 3.14Å; K8-S74 PolarHBondContact NZ-O 3.24Å; F40-S74 WeakPolarHBondContact CD2-OG 3.46Å; F40-S74 WeakPolarHBondContact CE2-OG 3.42Å; R71-S74 VanDerWaalsContact O-CB 3.23Å; R71-S74 WeakPolarHBondContact O-CB 3.36Å; R71-S74 PolarHBondContact O-N 3.26Å; R71-S74 PolarHBondContact O-OG 3.27Å; P72-S74 PolarHBondContact O-N 2.66Å |
| 75 | Y | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | trans | -83.1 | -25.7 | -170.8 | -60.3 | -23.9 | 0 | 0 | 0 | 117.6 | V10 V12 R71 P72 D77 T78 E103 I104 F107 | V10-Y75 HydrophobicContact CG1-CD1 3.97Å; V10-Y75 HydrophobicContact CG1-CE1 3.85Å; V12-Y75 HydrophobicContact CG1-CE1 3.81Å; V12-Y75 WeakPolarHBondContact CG1-OH 3.42Å; R71-Y75 WeakPolarHBondContact CD-OH 3.29Å; R71-Y75 HydrophobicContact CG-CE1 4.43Å; R71-Y75 WeakPolarHBondContact CG-OH 3.48Å; P72-Y75 VanDerWaalsContact CA-CD2 3.44Å; P72-Y75 HydrophobicContact CB-CD2 3.95Å; P72-Y75 HydrophobicContact CB-CE2 4.11Å; P72-Y75 HydrophobicContact CG-CE2 4.22Å; P72-Y75 WeakPolarHBondContact O-CB 3.3Å; P72-Y75 PolarHBondContact O-N 3.2Å; P72-Y75 VanDerWaalsContact O-N 3.11Å; Y75-D77 PolarHBondContact O-N 3.31Å; Y75-T78 WeakPolarHBondContact O-CB 3.22Å; Y75-T78 PolarHBondContact O-N 3.34Å; Y75-T78 PolarHBondContact O-OG1 3.48Å; Y75-E103 HydrophobicContact CE2-CG 4.07Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.34Å; Y75-E103 PolarHBondContact OH-OE1 3.15Å; Y75-I104 HydrophobicContact CD1-CD1 4.48Å; Y75-I104 HydrophobicContact CE1-CD1 3.95Å; Y75-I104 HydrophobicContact CE2-CD1 4.4Å; Y75-F107 HydrophobicContact CD2-CB 3.38Å; Y75-F107 HydrophobicContact CD2-CD1 4.39Å; Y75-F107 AromaticContact CD2-CD2 3.61Å; Y75-F107 HydrophobicContact CD2-CD2 3.61Å; Y75-F107 HydrophobicContact CD2-CE2 4.5Å; Y75-F107 AromaticContact CD2-CG 3.55Å; Y75-F107 HydrophobicContact CD2-CG 3.55Å; Y75-F107 HydrophobicContact CE2-CB 4.18Å; Y75-F107 AromaticContact CE2-CD2 3.65Å; Y75-F107 HydrophobicContact CE2-CD2 3.65Å; Y75-F107 HydrophobicContact CE2-CE2 4.34Å; Y75-F107 HydrophobicContact CE2-CG 4.1Å; Y75-F107 HydrophobicContact CG-CB 4.12Å | ||
| 76 | P | 96.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 134.8 | 177.5 | -29.8 | 36.5 | 0 | 0 | 0 | 112.5 | K8 P72 L73 T78 | K8-P76 PolarHBondContact NZ-O 2.79Å; P72-P76 WeakPolarHBondContact O-CD 3.38Å; L73-P76 WeakPolarHBondContact O-CD 3.26Å; P76-T78 PolarHBondContact O-N 3.31Å |
| 77 | D | 95.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 56% | 0.561 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.8 | 175.8 | -49.9 | -47.8 | 0 | 0 | 0 | 115.9 | Y75 D79 R187 | Y75-D77 PolarHBondContact O-N 3.31Å; D77-D79 PolarHBondContact O-N 2.85Å; D77-R187 IonicContact OD1-NH1 2.94Å |
| 78 | T | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | trans | -60.4 | 132.6 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | V10 Y75 P76 V80 V81 V111 | V10-T78 HydrophobicContact CB-CG2 4.02Å; V10-T78 HydrophobicContact CG2-CG2 3.7Å; V10-T78 VanDerWaalsContact CG2-OG1 3.24Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.47Å; Y75-T78 WeakPolarHBondContact O-CB 3.22Å; Y75-T78 PolarHBondContact O-N 3.34Å; Y75-T78 PolarHBondContact O-OG1 3.48Å; P76-T78 PolarHBondContact O-N 3.31Å; T78-V80 WeakPolarHBondContact CG2-O 3.46Å; T78-V81 HydrophobicContact CG2-CG2 3.79Å; T78-V111 HydrophobicContact CG2-CG1 4.04Å; T78-V111 WeakPolarHBondContact O-CG2 3.4Å | ||
| 79 | D | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -95.2 | -28.3 | 178.3 | -69.9 | -85.9 | 0 | 0 | 0 | 113 | K7 K8 D77 P112 A179 K184 | K7-D79 HydrophobicContact CB-CB 4.39Å; K7-D79 HydrophobicContact CD-CB 3.79Å; K7-D79 VanDerWaalsContact CD-OD1 3.29Å; K7-D79 WeakPolarHBondContact CD-OD1 3.48Å; K7-D79 IonicContact NZ-OD1 3.11Å; K7-D79 PolarHBondContact NZ-OD1 2.98Å; K8-D79 PolarHBondContact N-OD2 2.89Å; K8-D79 WeakPolarHBondContact O-CA 3.38Å; K8-D79 WeakPolarHBondContact O-CB 3.43Å; K8-D79 PolarHBondContact O-N 2.83Å; D77-D79 PolarHBondContact O-N 2.85Å; D79-P112 WeakPolarHBondContact O-CD 3.25Å; D79-P112 WeakPolarHBondContact O-CG 3.06Å; D79-A179 HydrophobicContact CB-CB 3.88Å; D79-K184 WeakPolarHBondContact OD1-CE 3.27Å; D79-K184 IonicContact OD1-NZ 2.88Å; D79-K184 PolarHBondContact OD1-NZ 3.41Å; D79-K184 IonicContact OD2-NZ 3.34Å; D79-K184 PolarHBondContact OD2-NZ 3.04Å |
| 80 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 147.3 | 176.2 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | K8 L9 V10 T78 P112 V114 A175 A178 A179 | K8-V80 PolarHBondContact O-N 3.32Å; L9-V80 WeakPolarHBondContact CA-O 3.3Å; L9-V80 HydrophobicContact CB-CG1 3.83Å; L9-V80 HydrophobicContact CD1-CG1 3.94Å; L9-V80 HydrophobicContact CG-CG1 3.87Å; V10-V80 PolarHBondContact N-O 2.91Å; V10-V80 VanDerWaalsContact N-O 3.14Å; T78-V80 WeakPolarHBondContact CG2-O 3.46Å; V80-P112 HydrophobicContact CB-CG 4.36Å; V80-P112 HydrophobicContact CG2-CG 4.31Å; V80-P112 WeakPolarHBondContact CG2-O 3.46Å; V80-V114 HydrophobicContact CG2-CG2 4.4Å; V80-A175 HydrophobicContact CG1-CB 4.23Å; V80-A175 HydrophobicContact CG2-CB 4.1Å; V80-A178 HydrophobicContact CG2-CB 4.06Å; V80-A179 HydrophobicContact CB-CB 3.95Å; V80-A179 HydrophobicContact CG1-CB 3.84Å |
| 81 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | V10 V12 T78 I104 V111 P112 I113 V114 | V10-V81 CarbonylContact O-C 3.45Å; V10-V81 VanDerWaalsContact O-CA 3.3Å; V10-V81 WeakPolarHBondContact O-CA 3.47Å; V12-V81 HydrophobicContact CG2-CG1 3.85Å; T78-V81 HydrophobicContact CG2-CG2 3.79Å; V81-I104 HydrophobicContact CB-CG2 4.3Å; V81-I104 HydrophobicContact CG1-CD1 3.88Å; V81-I104 HydrophobicContact CG1-CG1 3.99Å; V81-I104 HydrophobicContact CG1-CG2 4.11Å; V81-I104 HydrophobicContact CG2-CD1 4.25Å; V81-I104 HydrophobicContact CG2-CG2 4.09Å; V81-V111 HydrophobicContact CG2-CG1 3.94Å; V81-P112 PolarHBondContact N-O 3.33Å; V81-I113 HydrophobicContact CB-CG1 4.42Å; V81-I113 CarbonylContact O-C 3.58Å; V81-I113 WeakPolarHBondContact O-CA 3.38Å; V81-V114 PolarHBondContact O-N 2.88Å |
| 82 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.1 | 161.7 | -61.4 | -172.3 | 0 | 0 | 0 | 109.1 | L9 V10 I11 V12 V114 V116 V171 F172 A175 | L9-L82 HydrophobicContact CD1-CD1 4.05Å; L9-L82 HydrophobicContact CD1-CD2 4.37Å; L9-L82 HydrophobicContact CD1-CG 3.97Å; L9-L82 HydrophobicContact CD2-CD1 3.92Å; L9-L82 HydrophobicContact CD2-CG 3.93Å; L9-L82 HydrophobicContact CG-CD1 4.45Å; L9-L82 HydrophobicContact CG-CG 4.14Å; V10-L82 PolarHBondContact O-N 2.98Å; I11-L82 WeakPolarHBondContact CA-O 3.16Å; I11-L82 HydrophobicContact CB-CB 4Å; I11-L82 HydrophobicContact CD1-CB 4.12Å; I11-L82 HydrophobicContact CD1-CD1 4.09Å; I11-L82 HydrophobicContact CG1-CB 3.76Å; V12-L82 PolarHBondContact N-O 2.91Å; L82-V114 WeakPolarHBondContact CA-O 3.18Å; L82-V114 HydrophobicContact CD2-CB 3.68Å; L82-V114 HydrophobicContact CD2-CG1 4.08Å; L82-V114 HydrophobicContact CD2-CG2 4.43Å; L82-V116 HydrophobicContact CB-CG2 4.46Å; L82-V116 HydrophobicContact CD2-CG2 4.16Å; L82-V171 HydrophobicContact CD1-CG1 3.95Å; L82-V171 HydrophobicContact CD2-CG1 4.06Å; L82-F172 HydrophobicContact CD1-CE1 4.13Å; L82-F172 HydrophobicContact CD1-CZ 4.27Å; L82-A175 HydrophobicContact CD2-CB 3.83Å |
| 83 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.5 | 166.5 | -82.8 | 176.4 | 0 | 0 | 0 | 108 | V12 I96 W100 L101 I104 I113 V114 L115 V116 I152 | V12-L83 HydrophobicContact CG2-CD2 3.58Å; V12-L83 HydrophobicContact CG2-CG 4.42Å; L83-I96 HydrophobicContact CB-CD1 4.31Å; L83-I96 HydrophobicContact CD1-CG2 4.4Å; L83-W100 HydrophobicContact CD2-CB 3.44Å; L83-W100 VanDerWaalsContact CD2-CB 3.44Å; L83-L101 HydrophobicContact CD1-CB 4.34Å; L83-L101 HydrophobicContact CD1-CD1 4.13Å; L83-I104 HydrophobicContact CD2-CG1 4.13Å; L83-I113 HydrophobicContact CB-CG2 4.16Å; L83-I113 HydrophobicContact CD1-CD1 4.23Å; L83-I113 HydrophobicContact CD1-CG2 3.47Å; L83-I113 VanDerWaalsContact CD1-CG2 3.47Å; L83-I113 HydrophobicContact CG-CG2 3.84Å; L83-V114 PolarHBondContact N-O 2.85Å; L83-L115 HydrophobicContact CB-CD1 3.98Å; L83-L115 CarbonylContact O-C 3.49Å; L83-V116 PolarHBondContact O-N 3.08Å; L83-I152 HydrophobicContact CD1-CD1 4.14Å |
| 84 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | -171.3 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | I11 V12 G13 C17 K19 V116 | I11-C84 HydrophobicContact CD1-CB 3.96Å; I11-C84 HydrophobicContact CG1-CB 4.05Å; V12-C84 PolarHBondContact O-N 2.97Å; G13-C84 VanDerWaalsContact CA-O 3.31Å; G13-C84 WeakPolarHBondContact CA-O 3.19Å; C17-C84 PolarHBondContact SG-O 2.69Å; C17-C84 VanDerWaalsContact SG-O 3.37Å; K19-C84 HydrophobicContact CG-CB 4.22Å; C84-V116 WeakPolarHBondContact CA-O 3.43Å |
| 85 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 169.5 | 165.7 | 70.3 | -86.4 | 0 | 0 | 0 | 110.1 | I87 S92 F93 I96 L115 V116 G117 N118 V140 F157 | Y85-I87 HydrophobicContact CE2-CG1 4.05Å; Y85-S92 WeakPolarHBondContact CB-O 3.43Å; Y85-F93 AromaticContact CD1-CD2 3.85Å; Y85-F93 HydrophobicContact CD1-CD2 3.85Å; Y85-F93 HydrophobicContact CD2-CB 3.83Å; Y85-F93 AromaticContact CD2-CD2 3.77Å; Y85-F93 HydrophobicContact CD2-CD2 3.77Å; Y85-F93 HydrophobicContact CD2-CG 4.2Å; Y85-F93 AromaticContact CE1-CD2 3.83Å; Y85-F93 HydrophobicContact CE1-CD2 3.83Å; Y85-F93 HydrophobicContact CE1-CE2 4.12Å; Y85-F93 HydrophobicContact CE2-CB 4.41Å; Y85-F93 AromaticContact CE2-CD2 3.78Å; Y85-F93 HydrophobicContact CE2-CD2 3.78Å; Y85-F93 HydrophobicContact CE2-CE2 4.45Å; Y85-F93 HydrophobicContact CE2-CG 4.37Å; Y85-F93 HydrophobicContact CG-CB 4.13Å; Y85-F93 AromaticContact CG-CD2 3.81Å; Y85-F93 HydrophobicContact CG-CD2 3.81Å; Y85-F93 HydrophobicContact CG-CG 4.47Å; Y85-F93 AromaticContact CZ-CD2 3.8Å; Y85-I96 HydrophobicContact CD1-CD1 4.48Å; Y85-I96 HydrophobicContact CD1-CG1 4.16Å; Y85-I96 HydrophobicContact CG-CG1 4.4Å; Y85-L115 HydrophobicContact CD1-CD1 4.06Å; Y85-L115 HydrophobicContact CD1-CG 4.42Å; Y85-L115 HydrophobicContact CE1-CD1 4.23Å; Y85-L115 HydrophobicContact CE1-CD2 4.29Å; Y85-L115 HydrophobicContact CE1-CG 4.1Å; Y85-V116 VanDerWaalsContact CD1-O 3.27Å; Y85-V116 WeakPolarHBondContact CD1-O 3.5Å; Y85-V116 PolarHBondContact N-O 3.42Å; Y85-G117 VanDerWaalsContact CE1-CA 3.47Å; Y85-N118 WeakPolarHBondContact O-CB 3.48Å; Y85-N118 PolarHBondContact O-N 3.44Å; Y85-V140 HydrophobicContact CE2-CB 3.98Å; Y85-V140 HydrophobicContact CE2-CG1 3.78Å; Y85-V140 HydrophobicContact CE2-CG2 4.3Å; Y85-F157 HydrophobicContact CE1-CE2 4.2Å; Y85-F157 WeakPolarHBondContact OH-CE2 3.48Å |
| 86 | S | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.6 | 177.6 | -143.7 | 0 | 0 | 0 | 0 | 109.8 | D88 S89 S92 K119 | S86-D88 WeakPolarHBondContact CB-OD1 3.19Å; S86-D88 PolarHBondContact O-N 3.24Å; S86-D88 PolarHBondContact OG-OD1 3.01Å; S86-S89 CarbonylContact O-C 3.34Å; S86-S89 PolarHBondContact O-N 3.07Å; S86-S89 VanDerWaalsContact O-O 3.12Å; S86-S92 PolarHBondContact N-OG 3.36Å; S86-S92 PolarHBondContact O-OG 3.43Å; S86-K119 WeakPolarHBondContact OG-CD 3.43Å; S86-K119 WeakPolarHBondContact OG-CE 3.41Å; S86-K119 WeakPolarHBondContact OG-CG 3.09Å; S86-K119 PolarHBondContact OG-NZ 2.77Å; S86-K119 VanDerWaalsContact OG-NZ 3.09Å |
| 87 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.5 | -178.8 | -74.8 | 163.8 | 0 | 0 | 0 | 112 | Y85 S89 G117 N118 K120 R123 P139 V140 E159 | Y85-I87 HydrophobicContact CE2-CG1 4.05Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.49Å; I87-G117 WeakPolarHBondContact CD1-O 3.39Å; I87-N118 WeakPolarHBondContact CB-O 3.27Å; I87-N118 WeakPolarHBondContact CG1-O 3.39Å; I87-N118 PolarHBondContact N-O 2.89Å; I87-K120 HydrophobicContact CD1-CB 3.88Å; I87-K120 HydrophobicContact CD1-CG 4.26Å; I87-R123 HydrophobicContact CG2-CB 3.93Å; I87-P139 HydrophobicContact CG2-CB 4.08Å; I87-P139 CarbonylContact O-C 3.51Å; I87-P139 VanDerWaalsContact O-CA 3.25Å; I87-P139 WeakPolarHBondContact O-CA 3.48Å; I87-V140 WeakPolarHBondContact CG2-O 3.37Å; I87-V140 PolarHBondContact O-N 2.95Å; I87-E159 HydrophobicContact CD1-CB 4.22Å; I87-E159 HydrophobicContact CD1-CG 4.16Å |
| 88 | D | 98.6 | Very high | 98.7 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.3 | 173.4 | 63.5 | -37.7 | 0 | 0 | 0 | 114.2 | S86 K119 L122 T128 | S86-D88 WeakPolarHBondContact CB-OD1 3.19Å; S86-D88 PolarHBondContact O-N 3.24Å; S86-D88 PolarHBondContact OG-OD1 3.01Å; D88-K119 WeakPolarHBondContact OD1-CD 3.37Å; D88-K119 IonicContact OD1-NZ 2.84Å; D88-K119 IonicContact OD2-NZ 3.9Å; D88-K119 PolarHBondContact OD2-NZ 2.55Å; D88-K119 VanDerWaalsContact OD2-NZ 3.15Å; D88-L122 HydrophobicContact CB-CB 4Å; D88-L122 HydrophobicContact CB-CD1 3.87Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.46Å; D88-T128 HydrophobicContact CB-CG2 3.53Å |
| 89 | S | 98.6 | Very high | 98.7 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | trans | -134 | 93.5 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | S86 I87 D91 S92 F93 | S86-S89 CarbonylContact O-C 3.34Å; S86-S89 PolarHBondContact O-N 3.07Å; S86-S89 VanDerWaalsContact O-O 3.12Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.49Å; S89-D91 PolarHBondContact O-N 2.94Å; S89-S92 WeakPolarHBondContact CB-OG 3.42Å; S89-S92 WeakPolarHBondContact O-CB 3.23Å; S89-S92 PolarHBondContact O-N 3.12Å; S89-S92 VanDerWaalsContact O-N 3.1Å; S89-S92 PolarHBondContact O-OG 3.19Å; S89-S92 PolarHBondContact OG-N 3.37Å; S89-F93 PolarHBondContact O-N 2.91Å | ||
| 90 | P | 98.7 | Very high | 98.7 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -31.1 | 176.4 | -29.4 | 40.5 | 0 | 0 | 0 | 113.8 | F93 A94 L132 Q137 L138 V140 | P90-F93 WeakPolarHBondContact O-CB 3.48Å; P90-F93 PolarHBondContact O-N 3.26Å; P90-F93 VanDerWaalsContact O-N 3.13Å; P90-A94 PolarHBondContact O-N 2.89Å; P90-L132 HydrophobicContact CG-CD2 4.25Å; P90-Q137 HydrophobicContact CG-CB 4.15Å; P90-Q137 HydrophobicContact CG-CG 4.44Å; P90-L138 WeakPolarHBondContact CG-O 2.92Å; P90-V140 HydrophobicContact CG-CG2 4.46Å |
| 91 | D | 98.4 | Very high | 98.7 | Very high | 93 Ų | 93 | 27.6 Ų | 27.6 | 50% | 0.497 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.5 | -60.1 | -12.2 | 0 | 0 | 0 | 110.9 | S89 F93 A94 N95 Q137 | S89-D91 PolarHBondContact O-N 2.94Å; D91-F93 PolarHBondContact O-N 3.45Å; D91-A94 PolarHBondContact O-N 2.95Å; D91-N95 WeakPolarHBondContact O-CB 3.5Å; D91-N95 PolarHBondContact O-N 2.76Å; D91-N95 PolarHBondContact O-ND2 3.17Å; D91-Q137 PolarHBondContact OD1-NE2 3.39Å |
| 92 | S | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -27.1 | 175.1 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | D14 Y85 S86 S89 | D14-S92 VanDerWaalsContact OD2-CA 3.29Å; D14-S92 WeakPolarHBondContact OD2-CA 3.43Å; Y85-S92 WeakPolarHBondContact CB-O 3.43Å; S86-S92 PolarHBondContact N-OG 3.36Å; S86-S92 PolarHBondContact O-OG 3.43Å; S89-S92 WeakPolarHBondContact CB-OG 3.42Å; S89-S92 WeakPolarHBondContact O-CB 3.23Å; S89-S92 PolarHBondContact O-N 3.12Å; S89-S92 VanDerWaalsContact O-N 3.1Å; S89-S92 PolarHBondContact O-OG 3.19Å; S89-S92 PolarHBondContact OG-N 3.37Å |
| 93 | F | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 13% | 0.127 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -78.3 | -44.1 | 175.6 | 176.5 | -113.3 | 0 | 0 | 0 | 111.9 | Y85 S89 P90 D91 N95 I96 V140 E144 V148 | Y85-F93 AromaticContact CD1-CD2 3.85Å; Y85-F93 HydrophobicContact CD1-CD2 3.85Å; Y85-F93 HydrophobicContact CD2-CB 3.83Å; Y85-F93 AromaticContact CD2-CD2 3.77Å; Y85-F93 HydrophobicContact CD2-CD2 3.77Å; Y85-F93 HydrophobicContact CD2-CG 4.2Å; Y85-F93 AromaticContact CE1-CD2 3.83Å; Y85-F93 HydrophobicContact CE1-CD2 3.83Å; Y85-F93 HydrophobicContact CE1-CE2 4.12Å; Y85-F93 HydrophobicContact CE2-CB 4.41Å; Y85-F93 AromaticContact CE2-CD2 3.78Å; Y85-F93 HydrophobicContact CE2-CD2 3.78Å; Y85-F93 HydrophobicContact CE2-CE2 4.45Å; Y85-F93 HydrophobicContact CE2-CG 4.37Å; Y85-F93 HydrophobicContact CG-CB 4.13Å; Y85-F93 AromaticContact CG-CD2 3.81Å; Y85-F93 HydrophobicContact CG-CD2 3.81Å; Y85-F93 HydrophobicContact CG-CG 4.47Å; Y85-F93 AromaticContact CZ-CD2 3.8Å; S89-F93 PolarHBondContact O-N 2.91Å; P90-F93 WeakPolarHBondContact O-CB 3.48Å; P90-F93 PolarHBondContact O-N 3.26Å; P90-F93 VanDerWaalsContact O-N 3.13Å; D91-F93 PolarHBondContact O-N 3.45Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.48Å; F93-I96 VanDerWaalsContact O-CB 3.25Å; F93-I96 WeakPolarHBondContact O-CB 3.15Å; F93-I96 WeakPolarHBondContact O-CG1 3.41Å; F93-I96 PolarHBondContact O-N 2.96Å; F93-I96 VanDerWaalsContact O-N 3.08Å; F93-V140 HydrophobicContact CB-CG2 3.73Å; F93-V140 HydrophobicContact CD1-CG1 3.93Å; F93-V140 HydrophobicContact CD1-CG2 4.1Å; F93-V140 HydrophobicContact CD2-CG1 4.04Å; F93-V140 HydrophobicContact CE1-CG1 4.05Å; F93-V140 HydrophobicContact CE2-CG1 4.16Å; F93-V140 HydrophobicContact CG-CG1 3.91Å; F93-V140 HydrophobicContact CG-CG2 3.94Å; F93-V140 HydrophobicContact CZ-CG1 4.15Å; F93-E144 HydrophobicContact CE1-CB 4.03Å; F93-E144 HydrophobicContact CZ-CB 3.99Å; F93-V148 HydrophobicContact CE1-CG2 4.14Å; F93-V148 HydrophobicContact CE2-CB 3.98Å; F93-V148 HydrophobicContact CE2-CG1 4.36Å; F93-V148 HydrophobicContact CE2-CG2 3.84Å; F93-V148 HydrophobicContact CZ-CB 3.93Å; F93-V148 HydrophobicContact CZ-CG2 3.32Å |
| 94 | A | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P90 D91 I96 E97 E98 | P90-A94 PolarHBondContact O-N 2.89Å; D91-A94 PolarHBondContact O-N 2.95Å; A94-I96 PolarHBondContact O-N 2.97Å; A94-I96 VanDerWaalsContact O-N 3.08Å; A94-E97 PolarHBondContact O-N 3.45Å; A94-E97 VanDerWaalsContact O-N 3.09Å; A94-E98 PolarHBondContact O-N 3.17Å |
| 95 | N | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 36.8 Ų | 36.8 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -15.6 | 178 | -75.5 | -23.7 | 0 | 0 | 0 | 114.1 | D14 D91 F93 E97 K99 W100 | D14-N95 PolarHBondContact OD1-ND2 2.9Å; D14-N95 PolarHBondContact OD2-ND2 3.4Å; D91-N95 WeakPolarHBondContact O-CB 3.5Å; D91-N95 PolarHBondContact O-N 2.76Å; D91-N95 PolarHBondContact O-ND2 3.17Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.48Å; N95-E97 VanDerWaalsContact C-N 3.32Å; N95-E97 PolarHBondContact O-N 2.82Å; N95-K99 HydrophobicContact CB-CB 4.45Å; N95-K99 WeakPolarHBondContact O-CA 3.14Å; N95-K99 WeakPolarHBondContact O-CB 3.29Å; N95-K99 PolarHBondContact O-N 3.49Å; N95-W100 PolarHBondContact O-N 3.08Å |
| 96 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -57.9 | -48.2 | 170.9 | -65.3 | -59.8 | 0 | 0 | 0 | 110.2 | L83 Y85 F93 A94 L101 L115 V148 I152 | L83-I96 HydrophobicContact CB-CD1 4.31Å; L83-I96 HydrophobicContact CD1-CG2 4.4Å; Y85-I96 HydrophobicContact CD1-CD1 4.48Å; Y85-I96 HydrophobicContact CD1-CG1 4.16Å; Y85-I96 HydrophobicContact CG-CG1 4.4Å; F93-I96 VanDerWaalsContact O-CB 3.25Å; F93-I96 WeakPolarHBondContact O-CB 3.15Å; F93-I96 WeakPolarHBondContact O-CG1 3.41Å; F93-I96 PolarHBondContact O-N 2.96Å; F93-I96 VanDerWaalsContact O-N 3.08Å; A94-I96 PolarHBondContact O-N 2.97Å; A94-I96 VanDerWaalsContact O-N 3.08Å; I96-L101 WeakPolarHBondContact O-CB 3.39Å; I96-L101 PolarHBondContact O-N 3.46Å; I96-L115 HydrophobicContact CD1-CD1 4.18Å; I96-L115 HydrophobicContact CG1-CD1 4.2Å; I96-L115 HydrophobicContact CG2-CD1 3.82Å; I96-V148 HydrophobicContact CG2-CG1 4.13Å; I96-I152 HydrophobicContact CG2-CD1 4.4Å |
| 97 | E | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -84.1 | -36.6 | -178.4 | -60.5 | -158.2 | 74.5 | 0 | 0 | 112.3 | A94 N95 P102 V148 K151 I152 | A94-E97 PolarHBondContact O-N 3.45Å; A94-E97 VanDerWaalsContact O-N 3.09Å; N95-E97 VanDerWaalsContact C-N 3.32Å; N95-E97 PolarHBondContact O-N 2.82Å; E97-P102 WeakPolarHBondContact O-CD 3.15Å; E97-P102 WeakPolarHBondContact O-CG 3.48Å; E97-V148 HydrophobicContact CG-CG1 4.08Å; E97-K151 VanDerWaalsContact OE1-CD 3.26Å; E97-K151 WeakPolarHBondContact OE1-CD 3.43Å; E97-K151 WeakPolarHBondContact OE1-CE 3.48Å; E97-K151 IonicContact OE1-NZ 2.83Å; E97-K151 PolarHBondContact OE1-NZ 2.95Å; E97-K151 IonicContact OE2-NZ 3.38Å; E97-K151 PolarHBondContact OE2-NZ 3.33Å; E97-I152 HydrophobicContact CG-CG2 4.47Å |
| 98 | E | 98.4 | Very high | 98.5 | Very high | 149 Ų | 149 | 48.1 Ų | 48.1 | 70% | 0.696 | 25% | 0.245 | S | C | * | . | I | π-helix | trans | -78.4 | -30.6 | -173.5 | -64.4 | -176.8 | -175.6 | 0 | 0 | 113.3 | A94 | A94-E98 PolarHBondContact O-N 3.17Å |
| 99 | K | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -127.1 | -61.5 | -172 | 178 | 178.6 | -179.3 | 170 | 0 | 113.1 | E65 D68 N95 P102 E103 | E65-K99 VanDerWaalsContact CG-NZ 3.27Å; E65-K99 IonicContact OE1-NZ 2.97Å; D68-K99 IonicContact OD1-NZ 2.69Å; N95-K99 HydrophobicContact CB-CB 4.45Å; N95-K99 WeakPolarHBondContact O-CA 3.14Å; N95-K99 WeakPolarHBondContact O-CB 3.29Å; N95-K99 PolarHBondContact O-N 3.49Å; K99-P102 WeakPolarHBondContact O-CD 3.2Å; K99-E103 PolarHBondContact O-N 2.98Å |
| 100 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -72.4 | -41.3 | -165 | -62 | 110.6 | 0 | 0 | 0 | 113.1 | V12 G13 D14 R71 L83 N95 E103 I104 | V12-W100 HydrophobicContact CB-CE3 3.83Å; V12-W100 HydrophobicContact CB-CZ3 4.15Å; V12-W100 HydrophobicContact CG2-CE3 4.46Å; G13-W100 WeakPolarHBondContact O-CH2 3.32Å; G13-W100 WeakPolarHBondContact O-CZ2 3.31Å; D14-W100 PolarHBondContact OD1-NE1 3.21Å; R71-W100 VanDerWaalsContact CZ-CH2 3.49Å; R71-W100 VanDerWaalsContact CZ-CZ3 3.44Å; L83-W100 HydrophobicContact CD2-CB 3.44Å; L83-W100 VanDerWaalsContact CD2-CB 3.44Å; N95-W100 PolarHBondContact O-N 3.08Å; W100-E103 PolarHBondContact O-N 2.94Å; W100-I104 WeakPolarHBondContact O-CB 3.37Å; W100-I104 VanDerWaalsContact O-CG1 3.3Å; W100-I104 WeakPolarHBondContact O-CG1 3.26Å; W100-I104 PolarHBondContact O-N 2.81Å |
| 101 | L | 98.7 | Very high | 97.9 | Very high | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 176.1 | 177.1 | 75 | 0 | 0 | 0 | 112 | L83 I96 E103 I104 R105 I113 I152 | L83-L101 HydrophobicContact CD1-CB 4.34Å; L83-L101 HydrophobicContact CD1-CD1 4.13Å; I96-L101 WeakPolarHBondContact O-CB 3.39Å; I96-L101 PolarHBondContact O-N 3.46Å; L101-E103 VanDerWaalsContact C-N 3.29Å; L101-E103 PolarHBondContact O-N 2.94Å; L101-I104 PolarHBondContact O-N 2.67Å; L101-R105 HydrophobicContact CD1-CG 3.84Å; L101-R105 HydrophobicContact CG-CG 4.1Å; L101-R105 WeakPolarHBondContact O-CB 3.31Å; L101-R105 VanDerWaalsContact O-CG 3.29Å; L101-R105 WeakPolarHBondContact O-CG 3.36Å; L101-R105 PolarHBondContact O-N 2.7Å; L101-I113 HydrophobicContact CD1-CD1 3.84Å; L101-I152 HydrophobicContact CD1-CB 4.14Å; L101-I152 HydrophobicContact CD2-CB 3.82Å; L101-I152 HydrophobicContact CD2-CG2 3.48Å; L101-I152 VanDerWaalsContact CD2-CG2 3.48Å |
| 102 | P | 98.6 | Very high | 98 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.8 | -44.9 | 173.9 | -29.6 | 34.3 | 0 | 0 | 0 | 113.4 | E97 K99 R105 H106 | E97-P102 WeakPolarHBondContact O-CD 3.15Å; E97-P102 WeakPolarHBondContact O-CG 3.48Å; K99-P102 WeakPolarHBondContact O-CD 3.2Å; P102-R105 PolarHBondContact O-N 3.18Å; P102-H106 WeakPolarHBondContact O-CB 3.34Å; P102-H106 PolarHBondContact O-N 3.08Å |
| 103 | E | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 178.3 | -173.4 | 176.5 | 141.2 | 0 | 0 | 111.6 | R71 Y75 K99 W100 L101 R105 H106 F107 | R71-E103 WeakPolarHBondContact CD-OE1 3.47Å; R71-E103 IonicContact CZ-OE1 3.83Å; R71-E103 IonicContact NH1-OE1 2.75Å; R71-E103 PolarHBondContact NH1-OE1 2.85Å; R71-E103 VanDerWaalsContact NH1-OE1 3.11Å; R71-E103 IonicContact NH1-OE2 3.62Å; R71-E103 PolarHBondContact NH1-OE2 3.11Å; Y75-E103 HydrophobicContact CE2-CG 4.07Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.34Å; Y75-E103 PolarHBondContact OH-OE1 3.15Å; K99-E103 PolarHBondContact O-N 2.98Å; W100-E103 PolarHBondContact O-N 2.94Å; L101-E103 VanDerWaalsContact C-N 3.29Å; L101-E103 PolarHBondContact O-N 2.94Å; E103-R105 PolarHBondContact O-N 2.93Å; E103-H106 WeakPolarHBondContact O-CB 2.96Å; E103-H106 PolarHBondContact O-N 3.39Å; E103-F107 HydrophobicContact CG-CD2 3.91Å; E103-F107 HydrophobicContact CG-CE2 3.98Å; E103-F107 VanDerWaalsContact O-CD2 3.29Å; E103-F107 WeakPolarHBondContact O-CD2 3.24Å; E103-F107 PolarHBondContact O-N 3.09Å; E103-F107 VanDerWaalsContact O-N 3.08Å |
| 104 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 179.3 | -68.1 | -57.8 | 0 | 0 | 0 | 111.6 | V12 Y75 V81 L83 W100 L101 H106 F107 C108 I113 | V12-I104 HydrophobicContact CG1-CD1 4.09Å; V12-I104 HydrophobicContact CG2-CD1 3.72Å; V12-I104 HydrophobicContact CG2-CG1 3.69Å; Y75-I104 HydrophobicContact CD1-CD1 4.48Å; Y75-I104 HydrophobicContact CE1-CD1 3.95Å; Y75-I104 HydrophobicContact CE2-CD1 4.4Å; V81-I104 HydrophobicContact CB-CG2 4.3Å; V81-I104 HydrophobicContact CG1-CD1 3.88Å; V81-I104 HydrophobicContact CG1-CG1 3.99Å; V81-I104 HydrophobicContact CG1-CG2 4.11Å; V81-I104 HydrophobicContact CG2-CD1 4.25Å; V81-I104 HydrophobicContact CG2-CG2 4.09Å; L83-I104 HydrophobicContact CD2-CG1 4.13Å; W100-I104 WeakPolarHBondContact O-CB 3.37Å; W100-I104 VanDerWaalsContact O-CG1 3.3Å; W100-I104 WeakPolarHBondContact O-CG1 3.26Å; W100-I104 PolarHBondContact O-N 2.81Å; L101-I104 PolarHBondContact O-N 2.67Å; I104-H106 VanDerWaalsContact C-N 3.26Å; I104-H106 PolarHBondContact O-N 2.85Å; I104-F107 PolarHBondContact O-N 3.42Å; I104-C108 HydrophobicContact CG2-CB 4.17Å; I104-C108 CarbonylContact O-C 3.55Å; I104-C108 VanDerWaalsContact O-C 3.29Å; I104-C108 VanDerWaalsContact O-CA 3.22Å; I104-C108 WeakPolarHBondContact O-CA 3.24Å; I104-C108 VanDerWaalsContact O-CB 3.26Å; I104-C108 WeakPolarHBondContact O-CB 3.42Å; I104-C108 PolarHBondContact O-N 3.23Å; I104-I113 HydrophobicContact CG2-CD1 3.79Å; I104-I113 HydrophobicContact CG2-CG1 4.07Å |
| 105 | R | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.5 | -28.6 | 176 | -68.9 | -64.2 | -173.6 | -174.3 | -0.4 | 112.3 | L101 P102 E103 P109 I152 | L101-R105 HydrophobicContact CD1-CG 3.84Å; L101-R105 HydrophobicContact CG-CG 4.1Å; L101-R105 WeakPolarHBondContact O-CB 3.31Å; L101-R105 VanDerWaalsContact O-CG 3.29Å; L101-R105 WeakPolarHBondContact O-CG 3.36Å; L101-R105 PolarHBondContact O-N 2.7Å; P102-R105 PolarHBondContact O-N 3.18Å; E103-R105 PolarHBondContact O-N 2.93Å; R105-P109 PolarHBondContact NH1-O 3.05Å; R105-P109 WeakPolarHBondContact O-CA 3.23Å; R105-I152 PolarHBondContact NH2-O 3.42Å |
| 106 | H | 97.9 | Very high | 98 | Very high | 141 Ų | 141 | 45.4 Ų | 45.4 | 65% | 0.653 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.1 | -49.6 | 174.7 | -178.7 | 77.3 | 0 | 0 | 0 | 112.3 | P102 E103 I104 | P102-H106 WeakPolarHBondContact O-CB 3.34Å; P102-H106 PolarHBondContact O-N 3.08Å; E103-H106 WeakPolarHBondContact O-CB 2.96Å; E103-H106 PolarHBondContact O-N 3.39Å; I104-H106 VanDerWaalsContact C-N 3.26Å; I104-H106 PolarHBondContact O-N 2.85Å |
| 107 | F | 98 | Very high | 98 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -91.2 | -25.9 | -174 | -67.4 | -72.6 | 0 | 0 | 0 | 114.6 | P72 Y75 E103 I104 P109 | P72-F107 HydrophobicContact CB-CD1 4.07Å; P72-F107 HydrophobicContact CB-CD2 4.15Å; P72-F107 HydrophobicContact CB-CE1 3.67Å; P72-F107 HydrophobicContact CB-CE2 3.76Å; P72-F107 HydrophobicContact CB-CG 4.31Å; P72-F107 HydrophobicContact CB-CZ 3.51Å; P72-F107 HydrophobicContact CG-CD2 4.26Å; P72-F107 HydrophobicContact CG-CE1 4.23Å; P72-F107 HydrophobicContact CG-CE2 3.55Å; P72-F107 HydrophobicContact CG-CZ 3.54Å; Y75-F107 HydrophobicContact CD2-CB 3.38Å; Y75-F107 HydrophobicContact CD2-CD1 4.39Å; Y75-F107 AromaticContact CD2-CD2 3.61Å; Y75-F107 HydrophobicContact CD2-CD2 3.61Å; Y75-F107 HydrophobicContact CD2-CE2 4.5Å; Y75-F107 AromaticContact CD2-CG 3.55Å; Y75-F107 HydrophobicContact CD2-CG 3.55Å; Y75-F107 HydrophobicContact CE2-CB 4.18Å; Y75-F107 AromaticContact CE2-CD2 3.65Å; Y75-F107 HydrophobicContact CE2-CD2 3.65Å; Y75-F107 HydrophobicContact CE2-CE2 4.34Å; Y75-F107 HydrophobicContact CE2-CG 4.1Å; Y75-F107 HydrophobicContact CG-CB 4.12Å; E103-F107 HydrophobicContact CG-CD2 3.91Å; E103-F107 HydrophobicContact CG-CE2 3.98Å; E103-F107 VanDerWaalsContact O-CD2 3.29Å; E103-F107 WeakPolarHBondContact O-CD2 3.24Å; E103-F107 PolarHBondContact O-N 3.09Å; E103-F107 VanDerWaalsContact O-N 3.08Å; I104-F107 PolarHBondContact O-N 3.42Å; F107-P109 VanDerWaalsContact C-CD 3.47Å |
| 108 | C | 96.9 | Very high | 98 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | trans | -131.3 | 52.9 | -173 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | I104 D110 V111 | I104-C108 HydrophobicContact CG2-CB 4.17Å; I104-C108 CarbonylContact O-C 3.55Å; I104-C108 VanDerWaalsContact O-C 3.29Å; I104-C108 VanDerWaalsContact O-CA 3.22Å; I104-C108 WeakPolarHBondContact O-CA 3.24Å; I104-C108 VanDerWaalsContact O-CB 3.26Å; I104-C108 WeakPolarHBondContact O-CB 3.42Å; I104-C108 PolarHBondContact O-N 3.23Å; C108-D110 VanDerWaalsContact C-N 3.29Å; C108-D110 PolarHBondContact O-N 3.3Å; C108-D110 VanDerWaalsContact O-N 3.14Å; C108-V111 HydrophobicContact CB-CB 3.85Å; C108-V111 HydrophobicContact CB-CG2 3.63Å; C108-V111 PolarHBondContact O-N 3.48Å; C108-V111 VanDerWaalsContact O-N 3.11Å | ||
| 109 | P | 94.8 | Very high | 98 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -37.3 | -167.1 | 21.3 | -34 | 0 | 0 | 0 | 114.6 | R105 F107 | R105-P109 PolarHBondContact NH1-O 3.05Å; R105-P109 WeakPolarHBondContact O-CA 3.23Å; F107-P109 VanDerWaalsContact C-CD 3.47Å |
| 110 | D | 92.7 | Very high | 98 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 68% | 0.679 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 2.6 | -175.8 | -68.5 | -32.6 | 0 | 0 | 0 | 113.5 | C108 | C108-D110 VanDerWaalsContact C-N 3.29Å; C108-D110 PolarHBondContact O-N 3.3Å; C108-D110 VanDerWaalsContact O-N 3.14Å |
| 111 | V | 97.8 | Very high | 98 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -83.2 | 131.6 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | T78 V81 C108 | T78-V111 HydrophobicContact CG2-CG1 4.04Å; T78-V111 WeakPolarHBondContact O-CG2 3.4Å; V81-V111 HydrophobicContact CG2-CG1 3.94Å; C108-V111 HydrophobicContact CB-CB 3.85Å; C108-V111 HydrophobicContact CB-CG2 3.63Å; C108-V111 PolarHBondContact O-N 3.48Å; C108-V111 VanDerWaalsContact O-N 3.11Å |
| 112 | P | 98.5 | Very high | 98 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | trans | -64.2 | 141.2 | 176.7 | 26.6 | -34.5 | 0 | 0 | 0 | 111.2 | D79 V80 V81 A178 | D79-P112 WeakPolarHBondContact O-CD 3.25Å; D79-P112 WeakPolarHBondContact O-CG 3.06Å; V80-P112 HydrophobicContact CB-CG 4.36Å; V80-P112 HydrophobicContact CG2-CG 4.31Å; V80-P112 WeakPolarHBondContact CG2-O 3.46Å; V81-P112 PolarHBondContact N-O 3.33Å; P112-A178 HydrophobicContact CB-CB 3.94Å; P112-A178 HydrophobicContact CG-CB 3.94Å | ||
| 113 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.1 | -178.2 | -67.4 | 171.1 | 0 | 0 | 0 | 108.5 | V81 L83 L101 I104 A154 Y155 | V81-I113 HydrophobicContact CB-CG1 4.42Å; V81-I113 CarbonylContact O-C 3.58Å; V81-I113 WeakPolarHBondContact O-CA 3.38Å; L83-I113 HydrophobicContact CB-CG2 4.16Å; L83-I113 HydrophobicContact CD1-CD1 4.23Å; L83-I113 HydrophobicContact CD1-CG2 3.47Å; L83-I113 VanDerWaalsContact CD1-CG2 3.47Å; L83-I113 HydrophobicContact CG-CG2 3.84Å; L101-I113 HydrophobicContact CD1-CD1 3.84Å; I104-I113 HydrophobicContact CG2-CD1 3.79Å; I104-I113 HydrophobicContact CG2-CG1 4.07Å; I113-A154 CarbonylContact O-C 3.6Å; I113-A154 WeakPolarHBondContact O-CA 3.46Å; I113-Y155 WeakPolarHBondContact O-CB 3.38Å; I113-Y155 PolarHBondContact O-N 3.22Å |
| 114 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.9 | 164.6 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | V80 V81 L82 L83 V116 Y155 A156 F158 A175 | V80-V114 HydrophobicContact CG2-CG2 4.4Å; V81-V114 PolarHBondContact O-N 2.88Å; L82-V114 WeakPolarHBondContact CA-O 3.18Å; L82-V114 HydrophobicContact CD2-CB 3.68Å; L82-V114 HydrophobicContact CD2-CG1 4.08Å; L82-V114 HydrophobicContact CD2-CG2 4.43Å; L83-V114 PolarHBondContact N-O 2.85Å; V114-V116 HydrophobicContact CG1-CG2 4.23Å; V114-Y155 HydrophobicContact CG2-CD1 4.27Å; V114-A156 WeakPolarHBondContact CA-O 3.4Å; V114-A156 HydrophobicContact CG1-CB 4.33Å; V114-A156 HydrophobicContact CG2-CB 4.4Å; V114-F158 HydrophobicContact CG1-CD2 4.45Å; V114-A175 HydrophobicContact CG2-CB 4.29Å |
| 115 | L | 99 | Very high | 98 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.9 | 174.7 | -175.2 | 67.2 | 0 | 0 | 0 | 109.4 | L83 Y85 I96 G145 V148 A149 I152 A154 A156 F157 F158 | L83-L115 HydrophobicContact CB-CD1 3.98Å; L83-L115 CarbonylContact O-C 3.49Å; Y85-L115 HydrophobicContact CD1-CD1 4.06Å; Y85-L115 HydrophobicContact CD1-CG 4.42Å; Y85-L115 HydrophobicContact CE1-CD1 4.23Å; Y85-L115 HydrophobicContact CE1-CD2 4.29Å; Y85-L115 HydrophobicContact CE1-CG 4.1Å; I96-L115 HydrophobicContact CD1-CD1 4.18Å; I96-L115 HydrophobicContact CG1-CD1 4.2Å; I96-L115 HydrophobicContact CG2-CD1 3.82Å; L115-G145 WeakPolarHBondContact CD2-O 3.28Å; L115-V148 HydrophobicContact CD2-CB 4.32Å; L115-V148 HydrophobicContact CD2-CG1 4.02Å; L115-A149 HydrophobicContact CB-CB 4.39Å; L115-A149 HydrophobicContact CD2-CB 3.87Å; L115-I152 HydrophobicContact CD1-CD1 4.41Å; L115-I152 HydrophobicContact CD2-CD1 4.49Å; L115-A154 HydrophobicContact CB-CB 4.3Å; L115-A156 PolarHBondContact N-O 3.15Å; L115-F157 HydrophobicContact CB-CD2 4.03Å; L115-F157 HydrophobicContact CD2-CD2 3.95Å; L115-F157 HydrophobicContact CD2-CE2 4.34Å; L115-F157 HydrophobicContact CG-CD2 3.95Å; L115-F157 HydrophobicContact CG-CE2 4.42Å; L115-F157 WeakPolarHBondContact O-CA 3.45Å; L115-F157 WeakPolarHBondContact O-CD2 3.12Å; L115-F158 PolarHBondContact O-N 2.96Å |
| 116 | V | 99 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.9 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | L22 L82 L83 C84 Y85 V114 F158 C160 V171 | L22-V116 HydrophobicContact CD2-CG1 4.04Å; L82-V116 HydrophobicContact CB-CG2 4.46Å; L82-V116 HydrophobicContact CD2-CG2 4.16Å; L83-V116 PolarHBondContact O-N 3.08Å; C84-V116 WeakPolarHBondContact CA-O 3.43Å; Y85-V116 VanDerWaalsContact CD1-O 3.27Å; Y85-V116 WeakPolarHBondContact CD1-O 3.5Å; Y85-V116 PolarHBondContact N-O 3.42Å; V114-V116 HydrophobicContact CG1-CG2 4.23Å; V116-F158 WeakPolarHBondContact CA-O 2.98Å; V116-C160 VanDerWaalsContact CG1-SG 3.58Å; V116-V171 HydrophobicContact CG1-CG2 4.15Å; V116-V171 HydrophobicContact CG2-CG1 3.75Å; V116-V171 HydrophobicContact CG2-CG2 4.33Å |
| 117 | G | 99 | Very high | 98 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 97.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y85 I87 F158 E159 C160 | Y85-G117 VanDerWaalsContact CE1-CA 3.47Å; I87-G117 WeakPolarHBondContact CD1-O 3.39Å; G117-F158 PolarHBondContact N-O 3.12Å; G117-E159 CarbonylContact O-C 3.41Å; G117-E159 WeakPolarHBondContact O-CA 3.2Å; G117-C160 PolarHBondContact O-N 3.45Å |
| 118 | N | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 170.5 | -177.4 | -167.3 | 27.2 | 0 | 0 | 0 | 112.2 | C17 G18 Y85 I87 K120 C160 A162 | C17-N118 PolarHBondContact O-ND2 3.28Å; G18-N118 PolarHBondContact O-ND2 3.46Å; Y85-N118 WeakPolarHBondContact O-CB 3.48Å; Y85-N118 PolarHBondContact O-N 3.44Å; I87-N118 WeakPolarHBondContact CB-O 3.27Å; I87-N118 WeakPolarHBondContact CG1-O 3.39Å; I87-N118 PolarHBondContact N-O 2.89Å; N118-K120 VanDerWaalsContact C-N 3.32Å; N118-K120 PolarHBondContact O-N 3.1Å; N118-C160 CarbonylContact C-O 3.53Å; N118-C160 WeakPolarHBondContact CA-O 3.29Å; N118-A162 PolarHBondContact OD1-N 2.85Å |
| 119 | K | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | trans | 58.6 | 40.7 | -177.8 | -49.2 | -164.4 | -154.2 | 151.5 | 0 | 113.2 | A16 S86 D88 D121 L122 C160 | A16-K119 WeakPolarHBondContact O-CE 3.28Å; A16-K119 PolarHBondContact O-NZ 2.83Å; S86-K119 WeakPolarHBondContact OG-CD 3.43Å; S86-K119 WeakPolarHBondContact OG-CE 3.41Å; S86-K119 WeakPolarHBondContact OG-CG 3.09Å; S86-K119 PolarHBondContact OG-NZ 2.77Å; S86-K119 VanDerWaalsContact OG-NZ 3.09Å; D88-K119 WeakPolarHBondContact OD1-CD 3.37Å; D88-K119 IonicContact OD1-NZ 2.84Å; D88-K119 IonicContact OD2-NZ 3.9Å; D88-K119 PolarHBondContact OD2-NZ 2.55Å; D88-K119 VanDerWaalsContact OD2-NZ 3.15Å; K119-D121 WeakPolarHBondContact CA-OD1 3.45Å; K119-D121 PolarHBondContact O-N 2.9Å; K119-D121 VanDerWaalsContact O-N 3.12Å; K119-L122 HydrophobicContact CB-CD1 3.96Å; K119-L122 HydrophobicContact CB-CG 4.24Å; K119-L122 HydrophobicContact CD-CD1 3.76Å; K119-L122 WeakPolarHBondContact O-CB 3.41Å; K119-L122 PolarHBondContact O-N 2.72Å; K119-C160 PolarHBondContact N-O 3.38Å; K119-C160 VanDerWaalsContact N-O 3.09Å | ||
| 120 | K | 98.9 | Very high | 98.2 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 27% | 0.265 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -53.4 | -31.3 | 176.9 | -172.5 | -175.2 | -178.8 | -171.8 | 0 | 113.4 | I87 N118 L122 R123 E159 C160 E166 | I87-K120 HydrophobicContact CD1-CB 3.88Å; I87-K120 HydrophobicContact CD1-CG 4.26Å; N118-K120 VanDerWaalsContact C-N 3.32Å; N118-K120 PolarHBondContact O-N 3.1Å; K120-L122 PolarHBondContact O-N 2.91Å; K120-L122 VanDerWaalsContact O-N 3.15Å; K120-R123 WeakPolarHBondContact O-CB 3.31Å; K120-R123 PolarHBondContact O-N 3.01Å; K120-R123 VanDerWaalsContact O-N 3.17Å; K120-E159 HydrophobicContact CD-CB 4.02Å; K120-E159 HydrophobicContact CG-CB 4.39Å; K120-C160 VanDerWaalsContact CB-O 3.28Å; K120-C160 WeakPolarHBondContact CB-O 3.43Å; K120-C160 PolarHBondContact N-O 3.22Å; K120-E166 IonicContact NZ-OE1 2.93Å; K120-E166 PolarHBondContact NZ-OE1 2.92Å |
| 121 | D | 98.6 | Very high | 98.5 | Very high | 45 Ų | 45 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -58.3 | -24 | 175.9 | 58.2 | -67.2 | 0 | 0 | 0 | 113.5 | K119 S161 K163 T164 | K119-D121 WeakPolarHBondContact CA-OD1 3.45Å; K119-D121 PolarHBondContact O-N 2.9Å; K119-D121 VanDerWaalsContact O-N 3.12Å; D121-S161 VanDerWaalsContact CG-OG 3.27Å; D121-S161 VanDerWaalsContact OD1-CB 3.23Å; D121-S161 WeakPolarHBondContact OD1-CB 3.16Å; D121-S161 PolarHBondContact OD1-OG 2.95Å; D121-K163 WeakPolarHBondContact OD2-CD 3.49Å; D121-T164 HydrophobicContact CB-CG2 3.91Å |
| 122 | L | 98.7 | Very high | 98.5 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -88.5 | -8.6 | -178.6 | -59.3 | -177.9 | 0 | 0 | 0 | 114.1 | D88 K119 K120 H124 D125 T128 | D88-L122 HydrophobicContact CB-CB 4Å; D88-L122 HydrophobicContact CB-CD1 3.87Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.46Å; K119-L122 HydrophobicContact CB-CD1 3.96Å; K119-L122 HydrophobicContact CB-CG 4.24Å; K119-L122 HydrophobicContact CD-CD1 3.76Å; K119-L122 WeakPolarHBondContact O-CB 3.41Å; K119-L122 PolarHBondContact O-N 2.72Å; K120-L122 PolarHBondContact O-N 2.91Å; K120-L122 VanDerWaalsContact O-N 3.15Å; L122-H124 PolarHBondContact O-N 3.24Å; L122-D125 HydrophobicContact CD2-CB 4.19Å; L122-D125 PolarHBondContact O-N 3.42Å; L122-T128 HydrophobicContact CB-CG2 4.19Å |
| 123 | R | 98.4 | Very high | 98.4 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -39.3 | 180 | 177.9 | 175.5 | -72.2 | 146.6 | 4.4 | 112.8 | I87 K120 K129 P139 V140 E159 | I87-R123 HydrophobicContact CG2-CB 3.93Å; K120-R123 WeakPolarHBondContact O-CB 3.31Å; K120-R123 PolarHBondContact O-N 3.01Å; K120-R123 VanDerWaalsContact O-N 3.17Å; R123-K129 WeakPolarHBondContact O-CE 3.36Å; R123-P139 HydrophobicContact CG-CB 4.41Å; R123-V140 PolarHBondContact NE-O 3.35Å; R123-V140 PolarHBondContact NH2-O 2.65Å; R123-E159 IonicContact CZ-OE1 2.9Å; R123-E159 IonicContact CZ-OE2 3.51Å; R123-E159 IonicContact NH1-OE1 3.83Å; R123-E159 IonicContact NH1-OE2 2.67Å; R123-E159 PolarHBondContact NH1-OE2 2.46Å; R123-E159 IonicContact NH2-OE1 3.15Å; R123-E159 PolarHBondContact NH2-OE1 2.86Å; R123-E159 IonicContact NH2-OE2 3.24Å; R123-E159 PolarHBondContact NH2-OE2 3.28Å |
| 124 | H | 97.7 | Very high | 98.3 | Very high | 140 Ų | 140 | 56.7 Ų | 56.7 | 65% | 0.648 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 4.4 | -176.5 | -59.8 | -54.3 | 0 | 0 | 0 | 112.9 | L122 E126 K129 | L122-H124 PolarHBondContact O-N 3.24Å; H124-E126 PolarHBondContact O-N 3.28Å; H124-K129 PolarHBondContact O-NZ 3.47Å |
| 125 | D | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | -70.6 | 125.6 | 176.9 | 175.3 | 64 | 0 | 0 | 0 | 110.7 | L122 A127 T128 K129 | L122-D125 HydrophobicContact CD2-CB 4.19Å; L122-D125 PolarHBondContact O-N 3.42Å; D125-A127 PolarHBondContact O-N 3.28Å; D125-A127 WeakPolarHBondContact OD2-CB 3.33Å; D125-A127 PolarHBondContact OD2-N 3.37Å; D125-T128 PolarHBondContact O-N 2.91Å; D125-T128 WeakPolarHBondContact OD2-CB 3.42Å; D125-T128 PolarHBondContact OD2-N 3.42Å; D125-T128 PolarHBondContact OD2-OG1 3.28Å; D125-K129 WeakPolarHBondContact O-CG 3.08Å; D125-K129 PolarHBondContact O-N 3.47Å | ||
| 126 | E | 98 | Very high | 98 | Very high | 111 Ų | 111 | 70 Ų | 70 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -34.7 | -174.3 | -68.4 | -57.7 | 131 | 0 | 0 | 112.1 | H124 K129 N130 | H124-E126 PolarHBondContact O-N 3.28Å; E126-K129 PolarHBondContact O-N 3.35Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 2.92Å; E126-N130 VanDerWaalsContact O-CB 3.28Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 PolarHBondContact O-N 2.71Å; E126-N130 PolarHBondContact O-ND2 3.16Å |
| 127 | A | 98.1 | Very high | 98 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 55% | 0.554 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | D125 N130 E131 | D125-A127 PolarHBondContact O-N 3.28Å; D125-A127 WeakPolarHBondContact OD2-CB 3.33Å; D125-A127 PolarHBondContact OD2-N 3.37Å; A127-N130 PolarHBondContact O-N 2.64Å; A127-E131 PolarHBondContact O-N 2.98Å |
| 128 | T | 98.3 | Very high | 97.9 | Very high | 20 Ų | 20 | 77.5 Ų | 77.5 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | D88 L122 D125 N130 E131 L132 | D88-T128 HydrophobicContact CB-CG2 3.53Å; L122-T128 HydrophobicContact CB-CG2 4.19Å; D125-T128 PolarHBondContact O-N 2.91Å; D125-T128 WeakPolarHBondContact OD2-CB 3.42Å; D125-T128 PolarHBondContact OD2-N 3.42Å; D125-T128 PolarHBondContact OD2-OG1 3.28Å; T128-N130 VanDerWaalsContact C-N 3.34Å; T128-N130 PolarHBondContact O-N 2.95Å; T128-E131 PolarHBondContact O-N 3.11Å; T128-L132 HydrophobicContact CG2-CD1 4.1Å; T128-L132 PolarHBondContact O-N 2.83Å |
| 129 | K | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 78.1 Ų | 78.1 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.9 | -70.9 | 177.4 | -164.3 | 159.2 | 0 | 111.8 | R123 H124 D125 E126 E131 L132 H133 P139 | R123-K129 WeakPolarHBondContact O-CE 3.36Å; H124-K129 PolarHBondContact O-NZ 3.47Å; D125-K129 WeakPolarHBondContact O-CG 3.08Å; D125-K129 PolarHBondContact O-N 3.47Å; E126-K129 PolarHBondContact O-N 3.35Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 2.92Å; K129-E131 VanDerWaalsContact C-N 3.32Å; K129-E131 PolarHBondContact O-N 2.52Å; K129-L132 PolarHBondContact O-N 3.17Å; K129-H133 WeakPolarHBondContact O-CB 3.48Å; K129-H133 PolarHBondContact O-CD2 2.86Å; K129-H133 PolarHBondContact O-N 3.48Å; K129-P139 HydrophobicContact CG-CG 4.27Å |
| 130 | N | 98 | Very high | 97.9 | Very high | 98 Ų | 98 | 76 Ų | 76 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | -179.8 | -75.2 | -32.4 | 0 | 0 | 0 | 111.5 | E126 A127 T128 H133 R134 | E126-N130 VanDerWaalsContact O-CB 3.28Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 PolarHBondContact O-N 2.71Å; E126-N130 PolarHBondContact O-ND2 3.16Å; A127-N130 PolarHBondContact O-N 2.64Å; T128-N130 VanDerWaalsContact C-N 3.34Å; T128-N130 PolarHBondContact O-N 2.95Å; N130-H133 PolarHBondContact O-N 2.97Å; N130-R134 WeakPolarHBondContact O-CG 3.24Å; N130-R134 PolarHBondContact O-N 2.62Å |
| 131 | E | 97.5 | Very high | 97.9 | Very high | 103 Ų | 103 | 76.1 Ų | 76.1 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 176.9 | -174.1 | 57.4 | -156.4 | 0 | 0 | 111.6 | A127 T128 K129 H133 R134 | A127-E131 PolarHBondContact O-N 2.98Å; T128-E131 PolarHBondContact O-N 3.11Å; K129-E131 VanDerWaalsContact C-N 3.32Å; K129-E131 PolarHBondContact O-N 2.52Å; E131-H133 VanDerWaalsContact C-N 3.28Å; E131-H133 PolarHBondContact O-N 2.89Å; E131-R134 VanDerWaalsContact O-CB 3.27Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.34Å; E131-R134 IonicContact OE1-NH1 3.78Å; E131-R134 VanDerWaalsContact OE2-CD 3.26Å; E131-R134 WeakPolarHBondContact OE2-CD 3.23Å; E131-R134 IonicContact OE2-CZ 3.95Å; E131-R134 IonicContact OE2-NE 3.22Å; E131-R134 IonicContact OE2-NH1 2.65Å; E131-R134 PolarHBondContact OE2-NH1 3.37Å |
| 132 | L | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 79 Ų | 79 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63 | -33.9 | 177 | -71.1 | 171.3 | 0 | 0 | 0 | 112.6 | P90 T128 K129 R134 T135 K136 Q137 P139 | P90-L132 HydrophobicContact CG-CD2 4.25Å; T128-L132 HydrophobicContact CG2-CD1 4.1Å; T128-L132 PolarHBondContact O-N 2.83Å; K129-L132 PolarHBondContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 2.85Å; L132-T135 CarbonylContact O-C 3.44Å; L132-T135 PolarHBondContact O-N 2.56Å; L132-T135 PolarHBondContact O-OG1 3.08Å; L132-K136 PolarHBondContact O-N 3.21Å; L132-K136 VanDerWaalsContact O-N 3.09Å; L132-Q137 CarbonylContact C-O 3.59Å; L132-Q137 HydrophobicContact CB-CB 4.13Å; L132-Q137 HydrophobicContact CD2-CB 3.94Å; L132-Q137 PolarHBondContact O-N 3.41Å; L132-P139 HydrophobicContact CD1-CB 4.37Å; L132-P139 HydrophobicContact CD1-CG 3.77Å |
| 133 | H | 97 | Very high | 98 | Very high | 108 Ų | 108 | 81.8 Ų | 81.8 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -28.5 | 174.6 | -84.4 | -56.2 | 0 | 0 | 0 | 112.9 | K129 N130 E131 T135 K136 L138 | K129-H133 WeakPolarHBondContact O-CB 3.48Å; K129-H133 PolarHBondContact O-CD2 2.86Å; K129-H133 PolarHBondContact O-N 3.48Å; N130-H133 PolarHBondContact O-N 2.97Å; E131-H133 VanDerWaalsContact C-N 3.28Å; E131-H133 PolarHBondContact O-N 2.89Å; H133-T135 PolarHBondContact O-N 2.99Å; H133-K136 PolarHBondContact O-N 3.37Å; H133-K136 VanDerWaalsContact O-N 3.07Å; H133-L138 VanDerWaalsContact CE1-CD2 3.46Å; H133-L138 WeakPolarHBondContact CE1-CD2 3.11Å |
| 134 | R | 96.5 | Very high | 98 | Very high | 194 Ų | 194 | 83.9 Ų | 83.9 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.7 | -29.5 | 175.6 | -60.5 | 170.5 | 74.8 | -171.1 | 1.3 | 111.9 | N130 E131 L132 | N130-R134 WeakPolarHBondContact O-CG 3.24Å; N130-R134 PolarHBondContact O-N 2.62Å; E131-R134 VanDerWaalsContact O-CB 3.27Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.34Å; E131-R134 IonicContact OE1-NH1 3.78Å; E131-R134 VanDerWaalsContact OE2-CD 3.26Å; E131-R134 WeakPolarHBondContact OE2-CD 3.23Å; E131-R134 IonicContact OE2-CZ 3.95Å; E131-R134 IonicContact OE2-NE 3.22Å; E131-R134 IonicContact OE2-NH1 2.65Å; E131-R134 PolarHBondContact OE2-NH1 3.37Å; L132-R134 PolarHBondContact O-N 2.85Å |
| 135 | T | 95.3 | Very high | 98 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 11.9 | 174.2 | 57.1 | 0 | 0 | 0 | 0 | 113 | L132 H133 Q137 | L132-T135 CarbonylContact O-C 3.44Å; L132-T135 PolarHBondContact O-N 2.56Å; L132-T135 PolarHBondContact O-OG1 3.08Å; H133-T135 PolarHBondContact O-N 2.99Å; T135-Q137 PolarHBondContact O-N 3.09Å; T135-Q137 PolarHBondContact OG1-OE1 2.96Å |
| 136 | K | 97.1 | Very high | 98.1 | Very high | 200 Ų | 200 | 78.6 Ų | 78.6 | 87% | 0.87 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 28.9 | -177.2 | -54 | 178.5 | -178.9 | 176.5 | 0 | 113.8 | L132 H133 | L132-K136 PolarHBondContact O-N 3.21Å; L132-K136 VanDerWaalsContact O-N 3.09Å; H133-K136 PolarHBondContact O-N 3.37Å; H133-K136 VanDerWaalsContact O-N 3.07Å |
| 137 | Q | 97.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | trans | -103.6 | 167.7 | 176.8 | -75.8 | 175.5 | -43.9 | 0 | 0 | 110.8 | P90 D91 L132 T135 | P90-Q137 HydrophobicContact CG-CB 4.15Å; P90-Q137 HydrophobicContact CG-CG 4.44Å; D91-Q137 PolarHBondContact OD1-NE2 3.39Å; L132-Q137 CarbonylContact C-O 3.59Å; L132-Q137 HydrophobicContact CB-CB 4.13Å; L132-Q137 HydrophobicContact CD2-CB 3.94Å; L132-Q137 PolarHBondContact O-N 3.41Å; T135-Q137 PolarHBondContact O-N 3.09Å; T135-Q137 PolarHBondContact OG1-OE1 2.96Å | ||
| 138 | L | 98.1 | Very high | 98.1 | Very high | 106 Ų | 106 | 75.8 Ų | 75.8 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | trans | -135.3 | 155.8 | 173.3 | -71.5 | 174.9 | 0 | 0 | 0 | 109.2 | P90 H133 | P90-L138 WeakPolarHBondContact CG-O 2.92Å; H133-L138 VanDerWaalsContact CE1-CD2 3.46Å; H133-L138 WeakPolarHBondContact CE1-CD2 3.11Å | ||
| 139 | P | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 142.8 | 171.5 | -22.8 | 32.5 | 0 | 0 | 0 | 111.4 | I87 R123 K129 L132 T141 | I87-P139 HydrophobicContact CG2-CB 4.08Å; I87-P139 CarbonylContact O-C 3.51Å; I87-P139 VanDerWaalsContact O-CA 3.25Å; I87-P139 WeakPolarHBondContact O-CA 3.48Å; R123-P139 HydrophobicContact CG-CB 4.41Å; K129-P139 HydrophobicContact CG-CG 4.27Å; L132-P139 HydrophobicContact CD1-CB 4.37Å; L132-P139 HydrophobicContact CD1-CG 3.77Å; P139-T141 PolarHBondContact O-N 3.45Å |
| 140 | V | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 128.6 | -179.7 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | Y85 I87 P90 F93 R123 E144 | Y85-V140 HydrophobicContact CE2-CB 3.98Å; Y85-V140 HydrophobicContact CE2-CG1 3.78Å; Y85-V140 HydrophobicContact CE2-CG2 4.3Å; I87-V140 WeakPolarHBondContact CG2-O 3.37Å; I87-V140 PolarHBondContact O-N 2.95Å; P90-V140 HydrophobicContact CG-CG2 4.46Å; F93-V140 HydrophobicContact CB-CG2 3.73Å; F93-V140 HydrophobicContact CD1-CG1 3.93Å; F93-V140 HydrophobicContact CD1-CG2 4.1Å; F93-V140 HydrophobicContact CD2-CG1 4.04Å; F93-V140 HydrophobicContact CE1-CG1 4.05Å; F93-V140 HydrophobicContact CE2-CG1 4.16Å; F93-V140 HydrophobicContact CG-CG1 3.91Å; F93-V140 HydrophobicContact CG-CG2 3.94Å; F93-V140 HydrophobicContact CZ-CG1 4.15Å; R123-V140 PolarHBondContact NE-O 3.35Å; R123-V140 PolarHBondContact NH2-O 2.65Å; V140-E144 HydrophobicContact CG1-CB 4.05Å |
| 141 | T | 98.8 | Very high | 98.2 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 156.5 | 179 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | P139 N143 E144 G145 | P139-T141 PolarHBondContact O-N 3.45Å; T141-N143 PolarHBondContact O-N 3.01Å; T141-E144 VanDerWaalsContact CB-OE2 3.31Å; T141-E144 WeakPolarHBondContact CB-OE2 3.45Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.17Å; T141-E144 PolarHBondContact N-OE2 3.22Å; T141-E144 PolarHBondContact O-N 3.19Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.27Å; T141-E144 WeakPolarHBondContact OG1-CG 3.31Å; T141-E144 PolarHBondContact OG1-N 3.48Å; T141-E144 PolarHBondContact OG1-OE2 3.35Å; T141-G145 PolarHBondContact O-N 2.55Å; T141-G145 VanDerWaalsContact O-N 3.16Å |
| 142 | F | 98.8 | Very high | 98.2 | Very high | 106 Ų | 106 | 76.6 Ų | 76.6 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -37.4 | 174.1 | 179.6 | -89.8 | 0 | 0 | 0 | 112.4 | G145 K146 F157 E159 | F142-G145 PolarHBondContact O-N 3.47Å; F142-K146 HydrophobicContact CE1-CB 4.37Å; F142-K146 HydrophobicContact CE1-CD 4.07Å; F142-K146 VanDerWaalsContact O-CB 3.3Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 3.15Å; F142-F157 AromaticContact CD2-CE1 3.92Å; F142-F157 HydrophobicContact CD2-CE1 3.92Å; F142-F157 HydrophobicContact CD2-CZ 4.48Å; F142-F157 HydrophobicContact CE2-CD1 4.32Å; F142-F157 AromaticContact CE2-CE1 3.74Å; F142-F157 HydrophobicContact CE2-CE1 3.74Å; F142-F157 HydrophobicContact CG-CE1 4.47Å; F142-F157 HydrophobicContact CZ-CD1 4.45Å; F142-F157 HydrophobicContact CZ-CE1 4.15Å; F142-E159 VanDerWaalsContact CA-OE1 3.23Å; F142-E159 WeakPolarHBondContact CA-OE1 3.29Å; F142-E159 HydrophobicContact CD2-CG 4.04Å |
| 143 | N | 98.9 | Very high | 98.2 | Very high | 89 Ų | 89 | 80.4 Ų | 80.4 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | -178.2 | -172.4 | 69.2 | 0 | 0 | 0 | 112.1 | T141 K146 Q147 | T141-N143 PolarHBondContact O-N 3.01Å; N143-K146 PolarHBondContact O-N 2.77Å; N143-Q147 PolarHBondContact ND2-NE2 3.37Å; N143-Q147 WeakPolarHBondContact O-CB 3.42Å; N143-Q147 VanDerWaalsContact O-CG 3.24Å; N143-Q147 WeakPolarHBondContact O-CG 3.44Å; N143-Q147 PolarHBondContact O-N 3.23Å |
| 144 | E | 98.9 | Very high | 98.2 | Very high | 81 Ų | 81 | 76.3 Ų | 76.3 | 38% | 0.379 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 173.2 | -72.6 | 162.4 | 133.3 | 0 | 0 | 111 | F93 V140 T141 K146 Q147 V148 | F93-E144 HydrophobicContact CE1-CB 4.03Å; F93-E144 HydrophobicContact CZ-CB 3.99Å; V140-E144 HydrophobicContact CG1-CB 4.05Å; T141-E144 VanDerWaalsContact CB-OE2 3.31Å; T141-E144 WeakPolarHBondContact CB-OE2 3.45Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.17Å; T141-E144 PolarHBondContact N-OE2 3.22Å; T141-E144 PolarHBondContact O-N 3.19Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.27Å; T141-E144 WeakPolarHBondContact OG1-CG 3.31Å; T141-E144 PolarHBondContact OG1-N 3.48Å; T141-E144 PolarHBondContact OG1-OE2 3.35Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.93Å; E144-Q147 PolarHBondContact O-N 3.08Å; E144-V148 PolarHBondContact O-N 3.19Å |
| 145 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L115 T141 F142 V148 A149 | L115-G145 WeakPolarHBondContact CD2-O 3.28Å; T141-G145 PolarHBondContact O-N 2.55Å; T141-G145 VanDerWaalsContact O-N 3.16Å; F142-G145 PolarHBondContact O-N 3.47Å; G145-V148 PolarHBondContact O-N 3.49Å; G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 3.09Å |
| 146 | K | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 69 Ų | 69 | 39% | 0.391 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.7 | -176.1 | 179.7 | 174.4 | -174.2 | 0 | 112.4 | F142 N143 E144 V148 A149 E150 F157 | F142-K146 HydrophobicContact CE1-CB 4.37Å; F142-K146 HydrophobicContact CE1-CD 4.07Å; F142-K146 VanDerWaalsContact O-CB 3.3Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 3.15Å; N143-K146 PolarHBondContact O-N 2.77Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.93Å; K146-V148 PolarHBondContact O-N 2.69Å; K146-A149 WeakPolarHBondContact O-CB 3.31Å; K146-A149 PolarHBondContact O-N 2.76Å; K146-E150 WeakPolarHBondContact CE-OE1 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 2.92Å; K146-F157 HydrophobicContact CB-CD1 4.02Å; K146-F157 HydrophobicContact CB-CE1 4.03Å |
| 147 | Q | 98.9 | Very high | 98.6 | Very high | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 178 | -77.3 | 174.5 | -13 | 0 | 0 | 111.7 | N143 E144 E150 K151 | N143-Q147 PolarHBondContact ND2-NE2 3.37Å; N143-Q147 WeakPolarHBondContact O-CB 3.42Å; N143-Q147 VanDerWaalsContact O-CG 3.24Å; N143-Q147 WeakPolarHBondContact O-CG 3.44Å; N143-Q147 PolarHBondContact O-N 3.23Å; E144-Q147 PolarHBondContact O-N 3.08Å; Q147-E150 PolarHBondContact O-N 2.98Å; Q147-K151 VanDerWaalsContact O-CB 3.31Å; Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 PolarHBondContact O-N 2.88Å |
| 148 | V | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | F93 I96 E97 L115 E144 G145 K146 E150 K151 I152 | F93-V148 HydrophobicContact CE1-CG2 4.14Å; F93-V148 HydrophobicContact CE2-CB 3.98Å; F93-V148 HydrophobicContact CE2-CG1 4.36Å; F93-V148 HydrophobicContact CE2-CG2 3.84Å; F93-V148 HydrophobicContact CZ-CB 3.93Å; F93-V148 HydrophobicContact CZ-CG2 3.32Å; I96-V148 HydrophobicContact CG2-CG1 4.13Å; E97-V148 HydrophobicContact CG-CG1 4.08Å; L115-V148 HydrophobicContact CD2-CB 4.32Å; L115-V148 HydrophobicContact CD2-CG1 4.02Å; E144-V148 PolarHBondContact O-N 3.19Å; G145-V148 PolarHBondContact O-N 3.49Å; K146-V148 PolarHBondContact O-N 2.69Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.94Å; V148-K151 PolarHBondContact O-N 3.13Å; V148-I152 HydrophobicContact CG1-CD1 4.48Å; V148-I152 HydrophobicContact CG1-CG2 4.04Å; V148-I152 WeakPolarHBondContact O-CG1 3.49Å; V148-I152 WeakPolarHBondContact O-CG2 3.39Å; V148-I152 PolarHBondContact O-N 3.22Å |
| 149 | A | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L115 G145 K146 S153 A154 F157 | L115-A149 HydrophobicContact CB-CB 4.39Å; L115-A149 HydrophobicContact CD2-CB 3.87Å; G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 3.09Å; K146-A149 WeakPolarHBondContact O-CB 3.31Å; K146-A149 PolarHBondContact O-N 2.76Å; A149-S153 PolarHBondContact O-N 3.08Å; A149-A154 HydrophobicContact CB-CB 4.16Å; A149-A154 PolarHBondContact O-N 2.92Å; A149-F157 HydrophobicContact CB-CB 3.47Å; A149-F157 VanDerWaalsContact CB-CB 3.47Å; A149-F157 HydrophobicContact CB-CD2 4.44Å; A149-F157 HydrophobicContact CB-CG 3.95Å |
| 150 | E | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.8 | -48.1 | 175.1 | -71.1 | 172.5 | -176.1 | 0 | 0 | 110.9 | K146 Q147 V148 I152 S153 | K146-E150 WeakPolarHBondContact CE-OE1 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 2.92Å; Q147-E150 PolarHBondContact O-N 2.98Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.94Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 3.35Å; E150-S153 PolarHBondContact O-N 3.35Å; E150-S153 VanDerWaalsContact O-N 3.12Å |
| 151 | K | 98.6 | Very high | 98.7 | Very high | 143 Ų | 143 | 56.4 Ų | 56.4 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58 | -42.3 | 179.7 | -176.9 | -179 | 175.6 | -164.4 | 0 | 112.7 | E97 Q147 V148 S153 | E97-K151 VanDerWaalsContact OE1-CD 3.26Å; E97-K151 WeakPolarHBondContact OE1-CD 3.43Å; E97-K151 WeakPolarHBondContact OE1-CE 3.48Å; E97-K151 IonicContact OE1-NZ 2.83Å; E97-K151 PolarHBondContact OE1-NZ 2.95Å; E97-K151 IonicContact OE2-NZ 3.38Å; E97-K151 PolarHBondContact OE2-NZ 3.33Å; Q147-K151 VanDerWaalsContact O-CB 3.31Å; Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 PolarHBondContact O-N 2.88Å; V148-K151 PolarHBondContact O-N 3.13Å; K151-S153 VanDerWaalsContact C-N 3.27Å; K151-S153 PolarHBondContact O-N 2.83Å |
| 152 | I | 97.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.4 | -178.2 | 76 | 179.3 | 0 | 0 | 0 | 113.3 | L83 I96 E97 L101 R105 L115 V148 E150 A154 | L83-I152 HydrophobicContact CD1-CD1 4.14Å; I96-I152 HydrophobicContact CG2-CD1 4.4Å; E97-I152 HydrophobicContact CG-CG2 4.47Å; L101-I152 HydrophobicContact CD1-CB 4.14Å; L101-I152 HydrophobicContact CD2-CB 3.82Å; L101-I152 HydrophobicContact CD2-CG2 3.48Å; L101-I152 VanDerWaalsContact CD2-CG2 3.48Å; R105-I152 PolarHBondContact NH2-O 3.42Å; L115-I152 HydrophobicContact CD1-CD1 4.41Å; L115-I152 HydrophobicContact CD2-CD1 4.49Å; V148-I152 HydrophobicContact CG1-CD1 4.48Å; V148-I152 HydrophobicContact CG1-CG2 4.04Å; V148-I152 WeakPolarHBondContact O-CG1 3.49Å; V148-I152 WeakPolarHBondContact O-CG2 3.39Å; V148-I152 PolarHBondContact O-N 3.22Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 3.35Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 HydrophobicContact CD1-CB 4.26Å; I152-A154 HydrophobicContact CG1-CB 4Å; I152-A154 PolarHBondContact O-N 2.69Å |
| 153 | S | 97.4 | Very high | 98.6 | Very high | 93 Ų | 93 | 54.6 Ų | 54.6 | 65% | 0.65 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 48 | -173.3 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | A149 E150 K151 | A149-S153 PolarHBondContact O-N 3.08Å; E150-S153 PolarHBondContact O-N 3.35Å; E150-S153 VanDerWaalsContact O-N 3.12Å; K151-S153 VanDerWaalsContact C-N 3.27Å; K151-S153 PolarHBondContact O-N 2.83Å |
| 154 | A | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | trans | -63.9 | 143.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | I113 L115 A149 I152 A156 | I113-A154 CarbonylContact O-C 3.6Å; I113-A154 WeakPolarHBondContact O-CA 3.46Å; L115-A154 HydrophobicContact CB-CB 4.3Å; A149-A154 HydrophobicContact CB-CB 4.16Å; A149-A154 PolarHBondContact O-N 2.92Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 HydrophobicContact CD1-CB 4.26Å; I152-A154 HydrophobicContact CG1-CB 4Å; I152-A154 PolarHBondContact O-N 2.69Å; A154-A156 VanDerWaalsContact C-N 3.27Å; A154-A156 PolarHBondContact O-N 3.17Å | ||
| 155 | Y | 98.4 | Very high | 98.6 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -60.8 | -39.5 | 173.2 | 177.2 | -92.4 | 0 | 0 | 0 | 111.5 | I113 V114 A178 | I113-Y155 WeakPolarHBondContact O-CB 3.38Å; I113-Y155 PolarHBondContact O-N 3.22Å; V114-Y155 HydrophobicContact CG2-CD1 4.27Å; Y155-A178 HydrophobicContact CD1-CB 3.48Å; Y155-A178 VanDerWaalsContact CD1-CB 3.48Å; Y155-A178 HydrophobicContact CD2-CB 4.01Å; Y155-A178 HydrophobicContact CE1-CB 3.62Å; Y155-A178 HydrophobicContact CE2-CB 4.15Å; Y155-A178 HydrophobicContact CG-CB 3.69Å |
| 156 | A | 98.7 | Very high | 98.6 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 162.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V114 L115 A154 F158 A174 | V114-A156 WeakPolarHBondContact CA-O 3.4Å; V114-A156 HydrophobicContact CG1-CB 4.33Å; V114-A156 HydrophobicContact CG2-CB 4.4Å; L115-A156 PolarHBondContact N-O 3.15Å; A154-A156 VanDerWaalsContact C-N 3.27Å; A154-A156 PolarHBondContact O-N 3.17Å; A156-F158 HydrophobicContact CB-CD2 4.23Å; A156-F158 HydrophobicContact CB-CE2 3.7Å; A156-A174 HydrophobicContact CB-CB 4.19Å |
| 157 | F | 98.9 | Very high | 98.6 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.8 | 171.9 | 167.9 | -118.2 | 0 | 0 | 0 | 110.2 | Y85 L115 F142 K146 A149 E159 | Y85-F157 HydrophobicContact CE1-CE2 4.2Å; Y85-F157 WeakPolarHBondContact OH-CE2 3.48Å; L115-F157 HydrophobicContact CB-CD2 4.03Å; L115-F157 HydrophobicContact CD2-CD2 3.95Å; L115-F157 HydrophobicContact CD2-CE2 4.34Å; L115-F157 HydrophobicContact CG-CD2 3.95Å; L115-F157 HydrophobicContact CG-CE2 4.42Å; L115-F157 WeakPolarHBondContact O-CA 3.45Å; L115-F157 WeakPolarHBondContact O-CD2 3.12Å; F142-F157 AromaticContact CD2-CE1 3.92Å; F142-F157 HydrophobicContact CD2-CE1 3.92Å; F142-F157 HydrophobicContact CD2-CZ 4.48Å; F142-F157 HydrophobicContact CE2-CD1 4.32Å; F142-F157 AromaticContact CE2-CE1 3.74Å; F142-F157 HydrophobicContact CE2-CE1 3.74Å; F142-F157 HydrophobicContact CG-CE1 4.47Å; F142-F157 HydrophobicContact CZ-CD1 4.45Å; F142-F157 HydrophobicContact CZ-CE1 4.15Å; K146-F157 HydrophobicContact CB-CD1 4.02Å; K146-F157 HydrophobicContact CB-CE1 4.03Å; A149-F157 HydrophobicContact CB-CB 3.47Å; A149-F157 VanDerWaalsContact CB-CB 3.47Å; A149-F157 HydrophobicContact CB-CD2 4.44Å; A149-F157 HydrophobicContact CB-CG 3.95Å; F157-E159 HydrophobicContact CE1-CG 4.3Å; F157-E159 HydrophobicContact CE2-CG 4.17Å; F157-E159 HydrophobicContact CZ-CG 3.61Å |
| 158 | F | 98.9 | Very high | 98.6 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.3 | 174.7 | -69.1 | -83.8 | 0 | 0 | 0 | 110.5 | V114 L115 V116 G117 A156 D170 V171 A174 | V114-F158 HydrophobicContact CG1-CD2 4.45Å; L115-F158 PolarHBondContact O-N 2.96Å; V116-F158 WeakPolarHBondContact CA-O 2.98Å; G117-F158 PolarHBondContact N-O 3.12Å; A156-F158 HydrophobicContact CB-CD2 4.23Å; A156-F158 HydrophobicContact CB-CE2 3.7Å; F158-D170 HydrophobicContact CD1-CB 3.87Å; F158-D170 HydrophobicContact CE1-CB 3.82Å; F158-D170 HydrophobicContact CG-CB 4.48Å; F158-D170 HydrophobicContact CZ-CB 4.41Å; F158-V171 HydrophobicContact CB-CG2 3.74Å; F158-V171 HydrophobicContact CG-CG2 4.43Å; F158-A174 HydrophobicContact CD2-CB 4.16Å; F158-A174 HydrophobicContact CE2-CB 3.38Å; F158-A174 HydrophobicContact CZ-CB 4.12Å |
| 159 | E | 98.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.5 | 164.1 | -62 | -174 | 157 | 0 | 0 | 109.4 | I87 G117 K120 R123 F142 F157 | I87-E159 HydrophobicContact CD1-CB 4.22Å; I87-E159 HydrophobicContact CD1-CG 4.16Å; G117-E159 CarbonylContact O-C 3.41Å; G117-E159 WeakPolarHBondContact O-CA 3.2Å; K120-E159 HydrophobicContact CD-CB 4.02Å; K120-E159 HydrophobicContact CG-CB 4.39Å; R123-E159 IonicContact CZ-OE1 2.9Å; R123-E159 IonicContact CZ-OE2 3.51Å; R123-E159 IonicContact NH1-OE1 3.83Å; R123-E159 IonicContact NH1-OE2 2.67Å; R123-E159 PolarHBondContact NH1-OE2 2.46Å; R123-E159 IonicContact NH2-OE1 3.15Å; R123-E159 PolarHBondContact NH2-OE1 2.86Å; R123-E159 IonicContact NH2-OE2 3.24Å; R123-E159 PolarHBondContact NH2-OE2 3.28Å; F142-E159 VanDerWaalsContact CA-OE1 3.23Å; F142-E159 WeakPolarHBondContact CA-OE1 3.29Å; F142-E159 HydrophobicContact CD2-CG 4.04Å; F157-E159 HydrophobicContact CE1-CG 4.3Å; F157-E159 HydrophobicContact CE2-CG 4.17Å; F157-E159 HydrophobicContact CZ-CG 3.61Å |
| 160 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -141.6 | 167.5 | -178.8 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | V116 G117 N118 K119 K120 E166 V168 V171 | V116-C160 VanDerWaalsContact CG1-SG 3.58Å; G117-C160 PolarHBondContact O-N 3.45Å; N118-C160 CarbonylContact C-O 3.53Å; N118-C160 WeakPolarHBondContact CA-O 3.29Å; K119-C160 PolarHBondContact N-O 3.38Å; K119-C160 VanDerWaalsContact N-O 3.09Å; K120-C160 VanDerWaalsContact CB-O 3.28Å; K120-C160 WeakPolarHBondContact CB-O 3.43Å; K120-C160 PolarHBondContact N-O 3.22Å; C160-E166 CarbonylContact C-O 3.53Å; C160-E166 WeakPolarHBondContact CA-O 3.45Å; C160-E166 WeakPolarHBondContact CB-O 3.47Å; C160-V168 HydrophobicContact CB-CG2 4.47Å; C160-V171 HydrophobicContact CB-CG2 4.2Å | ||
| 161 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -127.9 | 114.9 | 162.9 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | D121 K163 T164 K165 E166 | D121-S161 VanDerWaalsContact CG-OG 3.27Å; D121-S161 VanDerWaalsContact OD1-CB 3.23Å; D121-S161 WeakPolarHBondContact OD1-CB 3.16Å; D121-S161 PolarHBondContact OD1-OG 2.95Å; S161-K163 PolarHBondContact O-N 2.93Å; S161-K163 PolarHBondContact OG-N 3.2Å; S161-T164 VanDerWaalsContact CB-OG1 3.24Å; S161-T164 WeakPolarHBondContact CB-OG1 3.26Å; S161-T164 PolarHBondContact OG-N 3.38Å; S161-T164 VanDerWaalsContact OG-N 3.08Å; S161-T164 PolarHBondContact OG-OG1 3.45Å; S161-K165 CarbonylContact O-C 3.29Å; S161-K165 VanDerWaalsContact O-CA 3.23Å; S161-K165 WeakPolarHBondContact O-CA 3.42Å; S161-K165 PolarHBondContact O-N 3.09Å; S161-E166 PolarHBondContact N-O 3.42Å; S161-E166 PolarHBondContact O-N 2.67Å | ||
| 162 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C21 L22 V25 F31 N118 | C21-A162 HydrophobicContact CB-CB 3.99Å; L22-A162 HydrophobicContact CB-CB 4.35Å; L22-A162 HydrophobicContact CD1-CB 4.39Å; V25-A162 HydrophobicContact CG2-CB 4.21Å; V25-A162 WeakPolarHBondContact CG2-O 3.45Å; F31-A162 HydrophobicContact CD2-CB 4.21Å; F31-A162 HydrophobicContact CE2-CB 4.07Å; N118-A162 PolarHBondContact OD1-N 2.85Å |
| 163 | K | 98.2 | Very high | 98.6 | Very high | 131 Ų | 131 | 46 Ų | 46 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -44.2 | -177.2 | -173 | 179.1 | 178.5 | -176.5 | 0 | 112.8 | F31 D121 S161 | F31-K163 VanDerWaalsContact CD2-CA 3.48Å; F31-K163 HydrophobicContact CD2-CB 4.18Å; F31-K163 HydrophobicContact CE1-CG 4.41Å; F31-K163 HydrophobicContact CE2-CB 3.86Å; F31-K163 HydrophobicContact CE2-CG 4.48Å; F31-K163 HydrophobicContact CZ-CB 4.11Å; F31-K163 HydrophobicContact CZ-CG 4.35Å; D121-K163 WeakPolarHBondContact OD2-CD 3.49Å; S161-K163 PolarHBondContact O-N 2.93Å; S161-K163 PolarHBondContact OG-N 3.2Å |
| 164 | T | 98.2 | Very high | 98.7 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -4.2 | 179.8 | 69 | 0 | 0 | 0 | 0 | 113.3 | D121 S161 E166 | D121-T164 HydrophobicContact CB-CG2 3.91Å; S161-T164 VanDerWaalsContact CB-OG1 3.24Å; S161-T164 WeakPolarHBondContact CB-OG1 3.26Å; S161-T164 PolarHBondContact OG-N 3.38Å; S161-T164 VanDerWaalsContact OG-N 3.08Å; S161-T164 PolarHBondContact OG-OG1 3.45Å; T164-E166 PolarHBondContact O-N 2.97Å; T164-E166 WeakPolarHBondContact OG1-CB 3.48Å; T164-E166 PolarHBondContact OG1-N 2.9Å |
| 165 | K | 98.3 | Very high | 98.7 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 39% | 0.391 | 21% | 0.21 | S | C | . | . | trans | 66.3 | 2.5 | -172.1 | -48.5 | -177.8 | 176.2 | -174 | 0 | 114.6 | V25 D29 S161 G167 V168 | V25-K165 HydrophobicContact CG1-CB 4.48Å; V25-K165 HydrophobicContact CG1-CG 3.92Å; D29-K165 WeakPolarHBondContact O-CE 3.3Å; D29-K165 PolarHBondContact O-NZ 2.79Å; D29-K165 WeakPolarHBondContact OD1-CE 3.49Å; D29-K165 IonicContact OD1-NZ 3.11Å; D29-K165 PolarHBondContact OD1-NZ 2.94Å; D29-K165 IonicContact OD2-NZ 3.99Å; D29-K165 PolarHBondContact OD2-NZ 2.98Å; S161-K165 CarbonylContact O-C 3.29Å; S161-K165 VanDerWaalsContact O-CA 3.23Å; S161-K165 WeakPolarHBondContact O-CA 3.42Å; S161-K165 PolarHBondContact O-N 3.09Å; K165-G167 PolarHBondContact O-N 3.08Å; K165-V168 PolarHBondContact O-N 2.81Å | ||
| 166 | E | 98.7 | Very high | 98.7 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 43% | 0.43 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 129.4 | 178.7 | -172 | -171.7 | 171.1 | 0 | 0 | 111 | K120 C160 S161 T164 V168 | K120-E166 IonicContact NZ-OE1 2.93Å; K120-E166 PolarHBondContact NZ-OE1 2.92Å; C160-E166 CarbonylContact C-O 3.53Å; C160-E166 WeakPolarHBondContact CA-O 3.45Å; C160-E166 WeakPolarHBondContact CB-O 3.47Å; S161-E166 PolarHBondContact N-O 3.42Å; S161-E166 PolarHBondContact O-N 2.67Å; T164-E166 PolarHBondContact O-N 2.97Å; T164-E166 WeakPolarHBondContact OG1-CB 3.48Å; T164-E166 PolarHBondContact OG1-N 2.9Å; E166-V168 PolarHBondContact O-N 3.3Å; E166-V168 VanDerWaalsContact O-N 3.09Å |
| 167 | G | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -3.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K165 S169 D170 V171 | K165-G167 PolarHBondContact O-N 3.08Å; G167-S169 PolarHBondContact O-N 2.9Å; G167-D170 PolarHBondContact O-N 2.89Å; G167-V171 WeakPolarHBondContact O-CG2 3.36Å; G167-V171 PolarHBondContact O-N 2.97Å |
| 168 | V | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | -177.8 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L22 V25 F26 C160 K165 E166 D170 V171 F172 | L22-V168 HydrophobicContact CD1-CB 4.35Å; L22-V168 HydrophobicContact CD1-CG1 3.97Å; L22-V168 HydrophobicContact CD1-CG2 3.82Å; V25-V168 HydrophobicContact CG1-CG1 4.35Å; V25-V168 HydrophobicContact CG1-CG2 4.28Å; F26-V168 HydrophobicContact CB-CG1 3.93Å; C160-V168 HydrophobicContact CB-CG2 4.47Å; K165-V168 PolarHBondContact O-N 2.81Å; E166-V168 PolarHBondContact O-N 3.3Å; E166-V168 VanDerWaalsContact O-N 3.09Å; V168-D170 VanDerWaalsContact C-N 3.31Å; V168-D170 PolarHBondContact O-N 3.15Å; V168-V171 WeakPolarHBondContact O-CB 3.2Å; V168-V171 PolarHBondContact O-N 3.4Å; V168-F172 HydrophobicContact CG1-CD2 4.04Å; V168-F172 HydrophobicContact CG1-CE2 3.94Å; V168-F172 VanDerWaalsContact O-CD2 3.27Å; V168-F172 WeakPolarHBondContact O-CD2 3.2Å; V168-F172 PolarHBondContact O-N 3.1Å |
| 169 | S | 98.3 | Very high | 98.5 | Very high | 76 Ų | 76 | 34 Ų | 34 | 53% | 0.531 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 178.7 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | G167 V171 F172 V173 | G167-S169 PolarHBondContact O-N 2.9Å; S169-V171 VanDerWaalsContact C-N 3.33Å; S169-V171 PolarHBondContact O-N 3.24Å; S169-F172 PolarHBondContact O-N 3.38Å; S169-V173 WeakPolarHBondContact O-CB 3.16Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.39Å |
| 170 | D | 98.7 | Very high | 98.4 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -40.6 | -178.5 | -59.1 | -51.3 | 0 | 0 | 0 | 112.2 | F158 G167 V168 F172 A174 | F158-D170 HydrophobicContact CD1-CB 3.87Å; F158-D170 HydrophobicContact CE1-CB 3.82Å; F158-D170 HydrophobicContact CG-CB 4.48Å; F158-D170 HydrophobicContact CZ-CB 4.41Å; G167-D170 PolarHBondContact O-N 2.89Å; V168-D170 VanDerWaalsContact C-N 3.31Å; V168-D170 PolarHBondContact O-N 3.15Å; D170-F172 PolarHBondContact O-N 3.24Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.29Å; D170-A174 PolarHBondContact O-N 2.75Å |
| 171 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.7 | -51.2 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L82 V116 F158 C160 G167 V168 S169 A174 A175 | L82-V171 HydrophobicContact CD1-CG1 3.95Å; L82-V171 HydrophobicContact CD2-CG1 4.06Å; V116-V171 HydrophobicContact CG1-CG2 4.15Å; V116-V171 HydrophobicContact CG2-CG1 3.75Å; V116-V171 HydrophobicContact CG2-CG2 4.33Å; F158-V171 HydrophobicContact CB-CG2 3.74Å; F158-V171 HydrophobicContact CG-CG2 4.43Å; C160-V171 HydrophobicContact CB-CG2 4.2Å; G167-V171 WeakPolarHBondContact O-CG2 3.36Å; G167-V171 PolarHBondContact O-N 2.97Å; V168-V171 WeakPolarHBondContact O-CB 3.2Å; V168-V171 PolarHBondContact O-N 3.4Å; S169-V171 VanDerWaalsContact C-N 3.33Å; S169-V171 PolarHBondContact O-N 3.24Å; V171-A174 PolarHBondContact O-N 3.43Å; V171-A175 WeakPolarHBondContact O-CB 3.16Å; V171-A175 PolarHBondContact O-N 3.48Å |
| 172 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77 | -30.9 | -175.1 | -71.3 | -82.7 | 0 | 0 | 0 | 113.1 | L9 L22 L23 F26 I47 L56 L58 L82 V168 S169 D170 T176 | L9-F172 HydrophobicContact CD1-CD1 4.06Å; L9-F172 HydrophobicContact CD1-CE1 4.12Å; L22-F172 HydrophobicContact CD1-CE2 4.19Å; L22-F172 HydrophobicContact CG-CE2 4.02Å; L22-F172 HydrophobicContact CG-CZ 4.19Å; L23-F172 HydrophobicContact CD2-CE1 3.92Å; L23-F172 HydrophobicContact CD2-CZ 3.87Å; F26-F172 HydrophobicContact CB-CD2 3.61Å; F26-F172 HydrophobicContact CB-CE1 4.37Å; F26-F172 HydrophobicContact CB-CE2 3.31Å; F26-F172 HydrophobicContact CB-CG 4.29Å; F26-F172 HydrophobicContact CB-CZ 3.73Å; F26-F172 HydrophobicContact CD1-CB 4.35Å; F26-F172 AromaticContact CD1-CD1 3.45Å; F26-F172 HydrophobicContact CD1-CD1 3.45Å; F26-F172 VanDerWaalsContact CD1-CD1 3.45Å; F26-F172 AromaticContact CD1-CD2 3.81Å; F26-F172 HydrophobicContact CD1-CD2 3.81Å; F26-F172 AromaticContact CD1-CE1 3.56Å; F26-F172 HydrophobicContact CD1-CE1 3.56Å; F26-F172 AromaticContact CD1-CE2 3.94Å; F26-F172 HydrophobicContact CD1-CE2 3.94Å; F26-F172 AromaticContact CD1-CG 3.59Å; F26-F172 HydrophobicContact CD1-CG 3.59Å; F26-F172 AromaticContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD2-CB 3.8Å; F26-F172 HydrophobicContact CD2-CD1 4.32Å; F26-F172 AromaticContact CD2-CD2 3.42Å; F26-F172 HydrophobicContact CD2-CD2 3.42Å; F26-F172 VanDerWaalsContact CD2-CD2 3.42Å; F26-F172 HydrophobicContact CD2-CE2 4.09Å; F26-F172 AromaticContact CD2-CG 3.58Å; F26-F172 HydrophobicContact CD2-CG 3.58Å; F26-F172 HydrophobicContact CE1-CB 4.04Å; F26-F172 AromaticContact CE1-CD1 3.51Å; F26-F172 HydrophobicContact CE1-CD1 3.51Å; F26-F172 HydrophobicContact CE1-CD2 4.35Å; F26-F172 HydrophobicContact CE1-CE1 4.03Å; F26-F172 AromaticContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE2-CB 3.46Å; F26-F172 VanDerWaalsContact CE2-CB 3.46Å; F26-F172 HydrophobicContact CE2-CD1 4.38Å; F26-F172 HydrophobicContact CE2-CD2 4.03Å; F26-F172 AromaticContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CG-CB 4.24Å; F26-F172 AromaticContact CG-CD1 3.88Å; F26-F172 HydrophobicContact CG-CD1 3.88Å; F26-F172 AromaticContact CG-CD2 3.31Å; F26-F172 HydrophobicContact CG-CD2 3.31Å; F26-F172 HydrophobicContact CG-CE1 4.03Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.53Å; F26-F172 HydrophobicContact CG-CG 3.53Å; F26-F172 AromaticContact CG-CZ 3.85Å; F26-F172 HydrophobicContact CG-CZ 3.85Å; F26-F172 HydrophobicContact CZ-CB 3.59Å; F26-F172 AromaticContact CZ-CD1 4Å; F26-F172 HydrophobicContact CZ-CD1 4Å; F26-F172 HydrophobicContact CZ-CD2 4.45Å; F26-F172 AromaticContact CZ-CG 3.76Å; F26-F172 HydrophobicContact CZ-CG 3.76Å; I47-F172 HydrophobicContact CD1-CB 4.23Å; L56-F172 HydrophobicContact CD1-CD1 4.36Å; L58-F172 HydrophobicContact CD2-CD1 4.38Å; L58-F172 HydrophobicContact CD2-CE1 4.02Å; L82-F172 HydrophobicContact CD1-CE1 4.13Å; L82-F172 HydrophobicContact CD1-CZ 4.27Å; V168-F172 HydrophobicContact CG1-CD2 4.04Å; V168-F172 HydrophobicContact CG1-CE2 3.94Å; V168-F172 VanDerWaalsContact O-CD2 3.27Å; V168-F172 WeakPolarHBondContact O-CD2 3.2Å; V168-F172 PolarHBondContact O-N 3.1Å; S169-F172 PolarHBondContact O-N 3.38Å; D170-F172 PolarHBondContact O-N 3.24Å; F172-T176 WeakPolarHBondContact O-CB 3.25Å; F172-T176 PolarHBondContact O-N 3.28Å; F172-T176 PolarHBondContact O-OG1 2.69Å |
| 173 | V | 98.7 | Very high | 95.9 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 170.2 | 169 | 0 | 0 | 0 | 0 | 110.1 | I47 V49 S169 T176 R177 | I47-V173 HydrophobicContact CD1-CG2 4.03Å; V49-V173 HydrophobicContact CG1-CG1 4.36Å; V49-V173 HydrophobicContact CG2-CB 4.47Å; V49-V173 HydrophobicContact CG2-CG1 4.29Å; V49-V173 HydrophobicContact CG2-CG2 4.36Å; S169-V173 WeakPolarHBondContact O-CB 3.16Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.39Å; V173-T176 PolarHBondContact O-N 2.77Å; V173-R177 WeakPolarHBondContact O-CB 3.5Å; V173-R177 PolarHBondContact O-N 3.24Å |
| 174 | A | 98.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A156 F158 D170 V171 T176 R177 A178 | A156-A174 HydrophobicContact CB-CB 4.19Å; F158-A174 HydrophobicContact CD2-CB 4.16Å; F158-A174 HydrophobicContact CE2-CB 3.38Å; F158-A174 HydrophobicContact CZ-CB 4.12Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.29Å; D170-A174 PolarHBondContact O-N 2.75Å; V171-A174 PolarHBondContact O-N 3.43Å; A174-T176 PolarHBondContact O-N 3.48Å; A174-R177 PolarHBondContact O-N 3.01Å; A174-A178 WeakPolarHBondContact O-CB 3.45Å; A174-A178 PolarHBondContact O-N 3.37Å |
| 175 | A | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L9 V80 L82 V114 V171 A178 A179 | L9-A175 HydrophobicContact CD1-CB 3.73Å; V80-A175 HydrophobicContact CG1-CB 4.23Å; V80-A175 HydrophobicContact CG2-CB 4.1Å; L82-A175 HydrophobicContact CD2-CB 3.83Å; V114-A175 HydrophobicContact CG2-CB 4.29Å; V171-A175 WeakPolarHBondContact O-CB 3.16Å; V171-A175 PolarHBondContact O-N 3.48Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 3.06Å; A175-A179 WeakPolarHBondContact O-CB 3.46Å; A175-A179 PolarHBondContact O-N 2.83Å |
| 176 | T | 98.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | I47 V49 V54 L56 F172 V173 A174 A178 A179 L180 | I47-T176 HydrophobicContact CG2-CG2 4.05Å; V49-T176 HydrophobicContact CB-CG2 3.85Å; V49-T176 HydrophobicContact CG1-CG2 4.47Å; V49-T176 HydrophobicContact CG2-CG2 3.61Å; V54-T176 HydrophobicContact CB-CG2 4Å; V54-T176 HydrophobicContact CG1-CG2 4.03Å; V54-T176 HydrophobicContact CG2-CG2 3.79Å; L56-T176 WeakPolarHBondContact CD1-OG1 3.35Å; F172-T176 WeakPolarHBondContact O-CB 3.25Å; F172-T176 PolarHBondContact O-N 3.28Å; F172-T176 PolarHBondContact O-OG1 2.69Å; V173-T176 PolarHBondContact O-N 2.77Å; A174-T176 PolarHBondContact O-N 3.48Å; T176-A178 VanDerWaalsContact C-N 3.32Å; T176-A178 PolarHBondContact O-N 2.88Å; T176-A179 WeakPolarHBondContact O-CB 3.43Å; T176-A179 PolarHBondContact O-N 2.96Å; T176-L180 HydrophobicContact CG2-CD1 3.89Å; T176-L180 HydrophobicContact CG2-CG 4.3Å; T176-L180 WeakPolarHBondContact O-CB 3.43Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.28Å; T176-L180 PolarHBondContact O-N 2.99Å |
| 177 | R | 98 | Very high | 87.2 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.6 | -170.1 | 176.5 | -67.9 | 116.3 | 0.2 | 111.5 | V49 D50 V173 A174 L180 N181 | V49-R177 HydrophobicContact CG1-CB 4.11Å; D50-R177 IonicContact OD1-CZ 2.87Å; D50-R177 IonicContact OD1-NE 3.38Å; D50-R177 PolarHBondContact OD1-NE 2.71Å; D50-R177 IonicContact OD1-NH2 3.56Å; D50-R177 PolarHBondContact OD1-NH2 3.4Å; D50-R177 IonicContact OD2-NE 2.98Å; D50-R177 PolarHBondContact OD2-NE 2.81Å; D50-R177 VanDerWaalsContact OD2-NE 3.11Å; V173-R177 WeakPolarHBondContact O-CB 3.5Å; V173-R177 PolarHBondContact O-N 3.24Å; A174-R177 PolarHBondContact O-N 3.01Å; R177-L180 PolarHBondContact O-N 2.94Å; R177-N181 WeakPolarHBondContact O-CB 3.26Å; R177-N181 VanDerWaalsContact O-CG 3.25Å; R177-N181 PolarHBondContact O-N 3.45Å; R177-N181 PolarHBondContact O-ND2 3.36Å |
| 178 | A | 98.3 | Very high | 84.8 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V80 P112 Y155 A174 A175 T176 L180 N181 S182 | V80-A178 HydrophobicContact CG2-CB 4.06Å; P112-A178 HydrophobicContact CB-CB 3.94Å; P112-A178 HydrophobicContact CG-CB 3.94Å; Y155-A178 HydrophobicContact CD1-CB 3.48Å; Y155-A178 VanDerWaalsContact CD1-CB 3.48Å; Y155-A178 HydrophobicContact CD2-CB 4.01Å; Y155-A178 HydrophobicContact CE1-CB 3.62Å; Y155-A178 HydrophobicContact CE2-CB 4.15Å; Y155-A178 HydrophobicContact CG-CB 3.69Å; A174-A178 WeakPolarHBondContact O-CB 3.45Å; A174-A178 PolarHBondContact O-N 3.37Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 3.06Å; T176-A178 VanDerWaalsContact C-N 3.32Å; T176-A178 PolarHBondContact O-N 2.88Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 3.3Å; A178-N181 PolarHBondContact O-N 3.33Å; A178-S182 PolarHBondContact O-N 3.47Å; A178-S182 VanDerWaalsContact O-N 3.12Å |
| 179 | A | 97.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K7 D79 V80 A175 T176 S182 | K7-A179 HydrophobicContact CB-CB 4.13Å; K7-A179 HydrophobicContact CD-CB 4.05Å; K7-A179 WeakPolarHBondContact CE-O 3.4Å; K7-A179 HydrophobicContact CG-CB 4.09Å; K7-A179 PolarHBondContact NZ-O 3.44Å; D79-A179 HydrophobicContact CB-CB 3.88Å; V80-A179 HydrophobicContact CB-CB 3.95Å; V80-A179 HydrophobicContact CG1-CB 3.84Å; A175-A179 WeakPolarHBondContact O-CB 3.46Å; A175-A179 PolarHBondContact O-N 2.83Å; T176-A179 WeakPolarHBondContact O-CB 3.43Å; T176-A179 PolarHBondContact O-N 2.96Å; A179-S182 PolarHBondContact O-OG 3.34Å |
| 180 | L | 96 | Very high | 79.6 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.2 | -33.2 | 178 | -74.5 | 170.3 | 0 | 0 | 0 | 112.8 | V5 K7 V49 R52 V54 T176 R177 A178 | V5-L180 HydrophobicContact CB-CD2 4.49Å; V5-L180 HydrophobicContact CG1-CD2 4.25Å; K7-L180 HydrophobicContact CG-CD2 4.49Å; V49-L180 HydrophobicContact CB-CD1 4.45Å; R52-L180 HydrophobicContact CB-CD1 4.46Å; V54-L180 HydrophobicContact CG2-CD1 3.83Å; V54-L180 HydrophobicContact CG2-CD2 3.85Å; V54-L180 HydrophobicContact CG2-CG 4.14Å; T176-L180 HydrophobicContact CG2-CD1 3.89Å; T176-L180 HydrophobicContact CG2-CG 4.3Å; T176-L180 WeakPolarHBondContact O-CB 3.43Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.28Å; T176-L180 PolarHBondContact O-N 2.99Å; R177-L180 PolarHBondContact O-N 2.94Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 3.3Å |
| 181 | N | 92.2 | Very high | 77.1 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -88.3 | -8.1 | -177.8 | -66.1 | -18 | 0 | 0 | 0 | 113.1 | R177 A178 A183 | R177-N181 WeakPolarHBondContact O-CB 3.26Å; R177-N181 VanDerWaalsContact O-CG 3.25Å; R177-N181 PolarHBondContact O-N 3.45Å; R177-N181 PolarHBondContact O-ND2 3.36Å; A178-N181 PolarHBondContact O-N 3.33Å; N181-A183 PolarHBondContact O-N 2.92Å |
| 182 | S | 83.1 | Confident | 74.5 | Confident | 33 Ų | 33 | 89 Ų | 89 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | trans | -71.9 | 111.9 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | A178 A179 K184 | A178-S182 PolarHBondContact O-N 3.47Å; A178-S182 VanDerWaalsContact O-N 3.12Å; A179-S182 PolarHBondContact O-OG 3.34Å; S182-K184 PolarHBondContact O-N 3.05Å; S182-K184 VanDerWaalsContact O-N 3.09Å | ||
| 183 | A | 68.6 | Low | 71.9 | Confident | 96 Ų | 96 | 100 Ų | 100 | 79% | 0.793 | 48% | 0.48 | S | S | * | . | trans | -70.7 | 103.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | N181 K185 | N181-A183 PolarHBondContact O-N 2.92Å; A183-K185 PolarHBondContact O-N 3.26Å | ||
| 184 | K | 60.9 | Low | 70.6 | Confident | 126 Ų | 126 | 103.1 Ų | 103.1 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | trans | -59.8 | 106.8 | 169.2 | -71.3 | -167.9 | 179.4 | 179.2 | 0 | 107.6 | D79 S182 K186 | D79-K184 WeakPolarHBondContact OD1-CE 3.27Å; D79-K184 IonicContact OD1-NZ 2.88Å; D79-K184 PolarHBondContact OD1-NZ 3.41Å; D79-K184 IonicContact OD2-NZ 3.34Å; D79-K184 PolarHBondContact OD2-NZ 3.04Å; S182-K184 PolarHBondContact O-N 3.05Å; S182-K184 VanDerWaalsContact O-N 3.09Å; K184-K186 PolarHBondContact O-N 2.99Å | ||
| 185 | K | 52.8 | Low | 69.1 | Low | 166 Ų | 166 | 108.3 Ų | 108.3 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | trans | -55.9 | 112.9 | 159.1 | -78 | 178.2 | -176.8 | 162.2 | 0 | 104.9 | A183 R187 | A183-K185 PolarHBondContact O-N 3.26Å; K185-R187 PolarHBondContact O-N 3.07Å | ||
| 186 | K | 47.1 | Very low | 67.4 | Low | 200 Ų | 200 | 114.3 Ų | 114.3 | 87% | 0.87 | 55% | 0.545 | S | S | * | . | trans | -46.2 | 111.9 | 172.4 | -78.7 | -179.5 | 176 | 177.5 | 0 | 106.4 | K184 R188 | K184-K186 PolarHBondContact O-N 2.99Å; K186-R188 PolarHBondContact O-N 3.35Å | ||
| 187 | R | 50.6 | Low | 65.6 | Low | 189 Ų | 189 | 121 Ų | 121 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | trans | -51.2 | 120.5 | 172.6 | -79.3 | 176.5 | 68.5 | 163.7 | 2.7 | 105.4 | D77 K185 R189 | D77-R187 IonicContact OD1-NH1 2.94Å; K185-R187 PolarHBondContact O-N 3.07Å; R187-R189 PolarHBondContact O-N 2.86Å | ||
| 188 | R | 47.1 | Very low | 63.6 | Low | 239 Ų | 239 | 123.8 Ų | 123.8 | 90% | 0.902 | 60% | 0.595 | S | S | * | * | trans | -53.7 | 115.1 | 166.6 | -65.4 | 179.9 | 84.8 | -176.4 | 5.2 | 103.7 | K186 C190 | K186-R188 PolarHBondContact O-N 3.35Å; R188-C190 PolarHBondContact O-N 3.44Å | ||
| 189 | R | 44 | Very low | 61.3 | Low | 201 Ų | 201 | 131.9 Ų | 131.9 | 76% | 0.758 | 63% | 0.634 | S | S | * | * | trans | -43 | 114.7 | 174.2 | -167.3 | 177.9 | 73.3 | -174.8 | 5.8 | 105.4 | R187 D191 | R187-R189 PolarHBondContact O-N 2.86Å; R189-D191 IonicContact CZ-OD1 3.64Å; R189-D191 IonicContact NE-OD1 2.71Å; R189-D191 PolarHBondContact NE-OD1 3.03Å; R189-D191 IonicContact NH2-OD1 2.92Å; R189-D191 PolarHBondContact NH2-OD1 3.07Å; R189-D191 PolarHBondContact O-N 3.33Å | ||
| 190 | C | 44.4 | Very low | 58.7 | Low | 103 Ų | 103 | 141.3 Ų | 141.3 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | trans | -62.2 | 101.7 | 168.5 | -81.8 | 0 | 0 | 0 | 0 | 104.1 | R188 L192 | R188-C190 PolarHBondContact O-N 3.44Å; C190-L192 PolarHBondContact O-N 3.09Å | ||
| 191 | D | 47.1 | Very low | 55.8 | Low | 109 Ų | 109 | 150.2 Ų | 150.2 | 58% | 0.583 | 72% | 0.721 | S | S | * | * | trans | -66.1 | 92.4 | 164 | -64 | -44.6 | 0 | 0 | 0 | 104.4 | R189 I193 | R189-D191 IonicContact CZ-OD1 3.64Å; R189-D191 IonicContact NE-OD1 2.71Å; R189-D191 PolarHBondContact NE-OD1 3.03Å; R189-D191 IonicContact NH2-OD1 2.92Å; R189-D191 PolarHBondContact NH2-OD1 3.07Å; R189-D191 PolarHBondContact O-N 3.33Å; D191-I193 PolarHBondContact O-N 2.84Å; D191-I193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | L | 43.4 | Very low | 52.8 | Low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -61.7 | 108.2 | 163.2 | -75.2 | 162.2 | 0 | 0 | 0 | 105.5 | C190 | C190-L192 PolarHBondContact O-N 3.09Š| ||
| 193 | I | 44.2 | Very low | 50 | Low | 229 Ų | 229 | 165.9 Ų | 165.9 | 100% | 1.174 | 79% | 0.785 | S | S | * | * | trans | -84.2 | 0 | 159 | -60.2 | 175.7 | 0 | 0 | 0 | 106.7 | D191 | D191-I193 PolarHBondContact O-N 2.84Å; D191-I193 VanDerWaalsContact O-N 3.12Å |
Retrieved 193 of 193 residues in 161.2 ms
(Link to these results)