| 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 | 53.9 | Low | 88.8 | Confident | 241 Ų | 241 | 68.2 Ų | 68.2 | 100% | 1.187 | 37% | 0.365 | S | S | * | . | 0 | 139.8 | 0 | -68 | 179.2 | -157 | 0 | 0 | 108.2 | S3 | M1-S3 PolarHBondContact O-N 2.98Š| |||
| 2 | A | 65.7 | Low | 89.6 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 65% | 0.653 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 129.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V4 | A2-V4 PolarHBondContact O-N 3.1Š|
| 3 | S | 83.7 | Confident | 90.3 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 125.4 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | M1 | M1-S3 PolarHBondContact O-N 2.98Š|
| 4 | V | 91.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -79 | 128.7 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 109 | A2 R53 E55 | A2-V4 PolarHBondContact O-N 3.1Å; V4-R53 HydrophobicContact CG2-CB 4.26Å; V4-E55 HydrophobicContact CG1-CB 3.7Å |
| 5 | I | 94.4 | Very high | 91.3 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.2 | 174.2 | -60.7 | 178.7 | 0 | 0 | 0 | 107.8 | K7 K52 R53 V54 E55 T180 | I5-K7 HydrophobicContact CG2-CD 4.38Å; I5-K7 HydrophobicContact CG2-CG 4.12Å; I5-K52 HydrophobicContact CD1-CB 4.08Å; I5-K52 HydrophobicContact CD1-CD 3.56Å; I5-K52 HydrophobicContact CD1-CG 4.4Å; I5-R53 PolarHBondContact N-O 3.2Å; I5-V54 HydrophobicContact CB-CG2 4.39Å; I5-V54 CarbonylContact O-C 3.59Å; I5-V54 VanDerWaalsContact O-CA 3.26Å; I5-V54 WeakPolarHBondContact O-CA 3.23Å; I5-E55 PolarHBondContact O-N 2.93Å; I5-T180 HydrophobicContact CD1-CG2 4.1Å |
| 6 | R | 96.2 | Very high | 91.6 | Very high | 175 Ų | 175 | 52.6 Ų | 52.6 | 66% | 0.66 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.7 | 176.1 | -62.5 | -172.5 | 171.4 | 113.4 | 3.8 | 110.6 | E55 | R6-E55 CarbonylContact C-O 3.56Å; R6-E55 WeakPolarHBondContact CA-O 3.23Å; R6-E55 WeakPolarHBondContact CD-OE1 3.44Å; R6-E55 HydrophobicContact CG-CB 4.25Å; R6-E55 WeakPolarHBondContact CG-OE1 3.21Å; R6-E55 IonicContact NE-OE1 3.17Å; R6-E55 PolarHBondContact NE-OE1 2.64Å; R6-E55 IonicContact NE-OE2 2.83Å; R6-E55 IonicContact NH2-OE2 2.67Å |
| 7 | K | 97.2 | Very high | 92 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.8 | 176.8 | -64.3 | -65.1 | 170.7 | 157.4 | 0 | 111.5 | I5 L9 V54 E55 L56 N57 N79 A179 | I5-K7 HydrophobicContact CG2-CD 4.38Å; I5-K7 HydrophobicContact CG2-CG 4.12Å; K7-L9 HydrophobicContact CB-CD1 4.4Å; K7-V54 HydrophobicContact CG-CG1 4.25Å; K7-E55 PolarHBondContact N-O 2.71Å; K7-L56 HydrophobicContact CB-CD2 4.08Å; K7-L56 CarbonylContact O-C 3.52Å; K7-L56 WeakPolarHBondContact O-CA 3.26Å; K7-N57 PolarHBondContact O-N 3.15Å; K7-N79 VanDerWaalsContact CA-OD1 3.25Å; K7-N79 WeakPolarHBondContact CA-OD1 3.5Å; K7-N79 HydrophobicContact CD-CB 4.02Å; K7-N79 WeakPolarHBondContact CD-OD1 3.42Å; K7-A179 HydrophobicContact CB-CB 4.01Å; K7-A179 HydrophobicContact CD-CB 4.12Å; K7-A179 WeakPolarHBondContact CD-O 3.37Å; K7-A179 VanDerWaalsContact CE-O 3.23Å; K7-A179 WeakPolarHBondContact CE-O 3.38Å; K7-A179 HydrophobicContact CG-CB 4.01Å; K7-A179 PolarHBondContact NZ-O 3.36Å |
| 8 | K | 97.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.2 | 175.9 | 178.7 | 172 | 170.3 | 172.5 | 0 | 110.8 | V10 N57 W59 S74 P76 N79 V80 | K8-V10 HydrophobicContact CG-CG2 4.49Å; K8-N57 WeakPolarHBondContact CA-O 3.34Å; K8-W59 HydrophobicContact CD-CZ2 4.42Å; K8-S74 WeakPolarHBondContact CE-O 3.4Å; K8-S74 PolarHBondContact NZ-O 3.34Å; K8-P76 WeakPolarHBondContact CE-O 3.45Å; K8-P76 PolarHBondContact NZ-O 2.98Å; K8-N79 PolarHBondContact N-OD1 3.07Å; K8-N79 PolarHBondContact O-N 3.38Å; K8-V80 PolarHBondContact O-N 3.22Å |
| 9 | L | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.8 | 174.3 | -84.1 | 60.4 | 0 | 0 | 0 | 108.2 | K7 L56 N57 L58 W59 V80 V82 F172 A175 A179 | K7-L9 HydrophobicContact CB-CD1 4.4Å; L9-L56 HydrophobicContact CD1-CD2 3.78Å; L9-L56 HydrophobicContact CD2-CD1 4.23Å; L9-N57 PolarHBondContact N-O 2.82Å; L9-L58 HydrophobicContact CB-CD2 3.83Å; L9-L58 HydrophobicContact CD2-CD2 3.7Å; L9-L58 HydrophobicContact CG-CD2 4.26Å; L9-W59 PolarHBondContact O-N 3.44Å; L9-V80 WeakPolarHBondContact CA-O 3.49Å; L9-V80 HydrophobicContact CB-CG1 4.45Å; L9-V80 HydrophobicContact CD1-CG1 3.63Å; L9-V80 HydrophobicContact CD2-CG1 4.25Å; L9-V80 HydrophobicContact CG-CG1 3.44Å; L9-V80 VanDerWaalsContact CG-CG1 3.44Å; L9-V82 HydrophobicContact CD2-CG2 4.35Å; L9-F172 HydrophobicContact CD2-CD1 4.17Å; L9-A175 HydrophobicContact CD2-CB 3.61Å; L9-A175 HydrophobicContact CG-CB 4.4Å; L9-A179 HydrophobicContact CD1-CB 4.33Å |
| 10 | V | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.5 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | K8 V12 W59 T61 S74 Y75 T78 V80 V81 V82 | K8-V10 HydrophobicContact CG-CG2 4.49Å; V10-V12 HydrophobicContact CG1-CG1 3.89Å; V10-W59 HydrophobicContact CB-CB 4.43Å; V10-W59 HydrophobicContact CG1-CB 4.42Å; V10-W59 HydrophobicContact CG2-CB 3.99Å; V10-W59 HydrophobicContact CG2-CG 4.3Å; V10-T61 HydrophobicContact CG1-CG2 3.91Å; V10-S74 WeakPolarHBondContact CG2-O 3.39Å; V10-Y75 HydrophobicContact CG1-CD1 3.97Å; V10-Y75 HydrophobicContact CG1-CE1 3.86Å; V10-T78 HydrophobicContact CB-CG2 4.11Å; V10-T78 HydrophobicContact CG2-CG2 3.8Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.34Å; V10-V80 PolarHBondContact N-O 3Å; V10-V81 WeakPolarHBondContact O-CA 3.45Å; V10-V82 PolarHBondContact O-N 3.09Å |
| 11 | V | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.1 | 179.3 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | K19 L23 W59 T61 V82 | V11-K19 HydrophobicContact CG1-CB 3.82Å; V11-K19 HydrophobicContact CG1-CD 4.07Å; V11-K19 HydrophobicContact CG1-CG 3.89Å; V11-L23 HydrophobicContact CB-CD1 4.21Å; V11-L23 HydrophobicContact CG2-CD1 3.84Å; V11-L23 HydrophobicContact CG2-CD2 3.99Å; V11-L23 HydrophobicContact CG2-CG 4.12Å; V11-W59 PolarHBondContact N-O 3.11Å; V11-T61 PolarHBondContact O-OG1 2.72Å; V11-V82 VanDerWaalsContact CA-O 3.32Å; V11-V82 WeakPolarHBondContact CA-O 3.43Å; V11-V82 HydrophobicContact CB-CB 4.49Å; V11-V82 HydrophobicContact CG1-CB 4.28Å; V11-V82 HydrophobicContact CG1-CG1 4.33Å; V11-V82 HydrophobicContact CG2-CB 4.13Å |
| 12 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 165.8 | -174.9 | -68.8 | 0 | 0 | 0 | 0 | 110.5 | V10 K19 T61 Y75 V81 V82 L83 C84 W100 I104 | V10-V12 HydrophobicContact CG1-CG1 3.89Å; V12-K19 VanDerWaalsContact C-CD 3.44Å; V12-T61 HydrophobicContact CG1-CG2 4.38Å; V12-T61 WeakPolarHBondContact CG1-OG1 3.35Å; V12-Y75 HydrophobicContact CG1-CE1 3.85Å; V12-V81 HydrophobicContact CG2-CG1 3.45Å; V12-V81 VanDerWaalsContact CG2-CG1 3.45Å; V12-V82 PolarHBondContact N-O 2.98Å; V12-L83 HydrophobicContact CG2-CB 4.45Å; V12-L83 HydrophobicContact CG2-CD1 3.85Å; V12-C84 PolarHBondContact O-N 2.94Å; V12-W100 HydrophobicContact CB-CE3 3.99Å; V12-W100 HydrophobicContact CB-CZ3 4.01Å; V12-I104 HydrophobicContact CG2-CD1 3.85Å; V12-I104 HydrophobicContact CG2-CG1 4.27Å |
| 13 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | 169.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | K19 G63 C84 W100 | G13-K19 PolarHBondContact O-NZ 3.38Å; G13-G63 WeakPolarHBondContact O-CA 3.36Å; G13-C84 VanDerWaalsContact CA-O 3.27Å; G13-C84 WeakPolarHBondContact CA-O 3.25Å; G13-W100 WeakPolarHBondContact O-CH2 3.27Å; G13-W100 WeakPolarHBondContact O-CZ2 3.48Å |
| 14 | D | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -54.4 | 158.5 | -173.4 | -84.2 | 3 | 0 | 0 | 0 | 114.7 | C17 K19 S92 N95 W100 | D14-C17 HydrophobicContact CB-CB 4.38Å; D14-C17 PolarHBondContact O-N 3.08Å; D14-C17 PolarHBondContact O-SG 2.98Å; D14-K19 PolarHBondContact O-NZ 2.91Å; D14-S92 VanDerWaalsContact OD2-CA 3.25Å; D14-S92 WeakPolarHBondContact OD2-CA 3.47Å; D14-S92 WeakPolarHBondContact OD2-CB 3.45Å; D14-N95 PolarHBondContact OD2-ND2 3.32Å; D14-W100 PolarHBondContact OD1-NE1 2.83Å |
| 15 | G | 96.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 27% | 0.268 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 142.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C17 G63 | G15-C17 PolarHBondContact O-N 3.38Å; G15-G63 PolarHBondContact N-O 2.85Å |
| 16 | A | 96.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 21.6 Ų | 21.6 | 41% | 0.405 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 12.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | G18 Y35 K119 | A16-G18 PolarHBondContact O-N 3.14Å; A16-Y35 HydrophobicContact CB-CE1 4.36Å; A16-Y35 HydrophobicContact CB-CE2 4.38Å; A16-Y35 PolarHBondContact N-OH 2.86Å; A16-K119 VanDerWaalsContact O-CE 3.25Å; A16-K119 WeakPolarHBondContact O-CE 3.19Å; A16-K119 PolarHBondContact O-NZ 2.93Å |
| 17 | C | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -75.5 | -4.9 | 176.3 | 80.4 | 0 | 0 | 0 | 0 | 113.6 | D14 G15 S86 N118 | D14-C17 HydrophobicContact CB-CB 4.38Å; D14-C17 PolarHBondContact O-N 3.08Å; D14-C17 PolarHBondContact O-SG 2.98Å; G15-C17 PolarHBondContact O-N 3.38Å; C17-S86 WeakPolarHBondContact O-CB 3.28Å; C17-N118 WeakPolarHBondContact O-CB 3.05Å; C17-N118 PolarHBondContact O-ND2 3Å |
| 18 | G | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 101.9 | 12.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | A16 T20 C21 L22 | A16-G18 PolarHBondContact O-N 3.14Å; G18-T20 PolarHBondContact O-N 3.28Å; G18-C21 PolarHBondContact O-N 3.07Å; G18-L22 WeakPolarHBondContact O-CB 3.45Å; G18-L22 PolarHBondContact O-N 2.74Å |
| 19 | K | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -50.8 | -51.9 | 177.7 | -56.9 | -174.9 | -61.3 | -74 | 0 | 113.2 | V11 V12 G13 D14 C21 L22 L23 T61 C84 | V11-K19 HydrophobicContact CG1-CB 3.82Å; V11-K19 HydrophobicContact CG1-CD 4.07Å; V11-K19 HydrophobicContact CG1-CG 3.89Å; V12-K19 VanDerWaalsContact C-CD 3.44Å; G13-K19 PolarHBondContact O-NZ 3.38Å; D14-K19 PolarHBondContact O-NZ 2.91Å; K19-C21 PolarHBondContact O-N 2.73Å; K19-L22 WeakPolarHBondContact O-CB 3.34Å; K19-L22 PolarHBondContact O-N 2.91Å; K19-L23 PolarHBondContact O-N 3.28Å; K19-T61 WeakPolarHBondContact CE-O 3.43Å; K19-C84 HydrophobicContact CG-CB 3.93Å |
| 20 | T | 97.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | -178.5 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | G18 L23 T24 T38 D60 | G18-T20 PolarHBondContact O-N 3.28Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-T24 VanDerWaalsContact O-CB 3.23Å; T20-T24 WeakPolarHBondContact O-CB 3.34Å; T20-T24 PolarHBondContact O-N 2.95Å; T20-T24 PolarHBondContact O-OG1 3.47Å; T20-T38 PolarHBondContact OG1-OG1 2.96Å; T20-D60 VanDerWaalsContact CA-OD2 3.32Å; T20-D60 WeakPolarHBondContact CA-OD2 3.15Å; T20-D60 VanDerWaalsContact CB-OD2 3.22Å; T20-D60 WeakPolarHBondContact CB-OD2 3.24Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.37Å; T20-D60 PolarHBondContact OG1-OD2 2.76Å |
| 21 | C | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 175 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | G18 K19 T24 V25 F31 P32 A162 | G18-C21 PolarHBondContact O-N 3.07Å; K19-C21 PolarHBondContact O-N 2.73Å; C21-T24 PolarHBondContact O-N 3.35Å; C21-V25 WeakPolarHBondContact O-CB 3.26Å; C21-V25 VanDerWaalsContact O-CG2 3.29Å; C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 3.15Å; C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 3.71Å; C21-F31 HydrophobicContact CB-CZ 4.43Å; C21-P32 HydrophobicContact CB-CG 4.28Å; C21-A162 HydrophobicContact CB-CB 4.03Å |
| 22 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 176.3 | 173.6 | 64.5 | 0 | 0 | 0 | 111.2 | G18 K19 F26 V116 V168 V171 F172 | G18-L22 WeakPolarHBondContact O-CB 3.45Å; G18-L22 PolarHBondContact O-N 2.74Å; K19-L22 WeakPolarHBondContact O-CB 3.34Å; K19-L22 PolarHBondContact O-N 2.91Å; L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.42Å; L22-V116 HydrophobicContact CD2-CG1 4.25Å; L22-V168 HydrophobicContact CD1-CB 4.37Å; L22-V168 HydrophobicContact CD1-CG1 4.04Å; L22-V168 HydrophobicContact CD1-CG2 4.12Å; L22-V171 HydrophobicContact CD2-CG1 4.3Å; L22-F172 HydrophobicContact CD1-CE2 3.89Å; L22-F172 HydrophobicContact CD1-CZ 4.5Å; L22-F172 HydrophobicContact CD2-CZ 4.37Å; L22-F172 HydrophobicContact CG-CE2 3.84Å; L22-F172 HydrophobicContact CG-CZ 3.95Å |
| 23 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.6 | -75.7 | 167 | 0 | 0 | 0 | 112.5 | V11 K19 T20 V25 F26 C27 F43 L58 D60 F172 | V11-L23 HydrophobicContact CB-CD1 4.21Å; V11-L23 HydrophobicContact CG2-CD1 3.84Å; V11-L23 HydrophobicContact CG2-CD2 3.99Å; V11-L23 HydrophobicContact CG2-CG 4.12Å; K19-L23 PolarHBondContact O-N 3.28Å; T20-L23 PolarHBondContact O-N 3.45Å; L23-V25 PolarHBondContact O-N 3.46Å; L23-F26 PolarHBondContact O-N 2.83Å; L23-C27 WeakPolarHBondContact O-CB 3.41Å; L23-C27 PolarHBondContact O-N 3.4Å; L23-C27 PolarHBondContact O-SG 2.94Å; L23-F43 HydrophobicContact CB-CE2 4.38Å; L23-F43 HydrophobicContact CD1-CE2 4.45Å; L23-L58 HydrophobicContact CD2-CB 3.74Å; L23-L58 HydrophobicContact CD2-CD1 3.69Å; L23-L58 HydrophobicContact CD2-CG 4.23Å; L23-D60 HydrophobicContact CD1-CB 3.43Å; L23-D60 VanDerWaalsContact CD1-CB 3.43Å; L23-F172 HydrophobicContact CD2-CE1 3.71Å; L23-F172 HydrophobicContact CD2-CZ 3.65Å; L23-F172 HydrophobicContact CG-CZ 4.27Å |
| 24 | T | 95.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | T20 C21 F26 C27 K28 E30 | T20-T24 VanDerWaalsContact O-CB 3.23Å; T20-T24 WeakPolarHBondContact O-CB 3.34Å; T20-T24 PolarHBondContact O-N 2.95Å; T20-T24 PolarHBondContact O-OG1 3.47Å; C21-T24 PolarHBondContact O-N 3.35Å; T24-F26 VanDerWaalsContact C-N 3.35Å; T24-F26 PolarHBondContact O-N 3.01Å; T24-C27 PolarHBondContact O-N 3.43Å; T24-K28 HydrophobicContact CG2-CD 4.17Å; T24-K28 WeakPolarHBondContact O-CA 3.26Å; T24-K28 VanDerWaalsContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CB 3.44Å; T24-K28 PolarHBondContact O-N 2.89Å; T24-E30 WeakPolarHBondContact CG2-O 3.25Å |
| 25 | V | 97.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | C21 L23 G29 E30 F31 A162 K165 V168 | C21-V25 WeakPolarHBondContact O-CB 3.26Å; C21-V25 VanDerWaalsContact O-CG2 3.29Å; C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 3.15Å; L23-V25 PolarHBondContact O-N 3.46Å; V25-G29 WeakPolarHBondContact O-CA 3.4Å; V25-G29 PolarHBondContact O-N 2.83Å; V25-E30 WeakPolarHBondContact CG2-O 3.15Å; V25-F31 HydrophobicContact CG2-CB 4Å; V25-F31 HydrophobicContact CG2-CD2 4.03Å; V25-A162 HydrophobicContact CB-CB 4.37Å; V25-A162 HydrophobicContact CG2-CB 3.97Å; V25-A162 WeakPolarHBondContact CG2-O 3.39Å; V25-K165 HydrophobicContact CG1-CG 4.02Å; V25-V168 HydrophobicContact CG1-CG1 4.2Å; V25-V168 HydrophobicContact CG1-CG2 4.07Å |
| 26 | F | 97.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -48 | 175.6 | 176.3 | -116.7 | 0 | 0 | 0 | 112.6 | L22 L23 T24 S45 M47 L58 V168 F172 | L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.42Å; L23-F26 PolarHBondContact O-N 2.83Å; T24-F26 VanDerWaalsContact C-N 3.35Å; T24-F26 PolarHBondContact O-N 3.01Å; F26-S45 WeakPolarHBondContact CE1-OG 3.42Å; F26-M47 HydrophobicContact CZ-CE 4.41Å; F26-L58 HydrophobicContact CD1-CD1 3.77Å; F26-L58 HydrophobicContact CE1-CD1 3.84Å; F26-V168 HydrophobicContact CB-CG1 3.76Å; F26-V168 HydrophobicContact CD2-CG1 4.5Å; F26-F172 HydrophobicContact CB-CD2 3.57Å; F26-F172 HydrophobicContact CB-CE2 3.34Å; F26-F172 HydrophobicContact CB-CG 4.46Å; F26-F172 HydrophobicContact CB-CZ 4.06Å; F26-F172 HydrophobicContact CD1-CB 4.29Å; F26-F172 AromaticContact CD1-CD1 3.87Å; F26-F172 HydrophobicContact CD1-CD1 3.87Å; F26-F172 AromaticContact CD1-CD2 3.63Å; F26-F172 HydrophobicContact CD1-CD2 3.63Å; F26-F172 HydrophobicContact CD1-CE1 4.08Å; F26-F172 AromaticContact CD1-CE2 3.87Å; F26-F172 HydrophobicContact CD1-CE2 3.87Å; F26-F172 AromaticContact CD1-CG 3.64Å; F26-F172 HydrophobicContact CD1-CG 3.64Å; F26-F172 HydrophobicContact CD1-CZ 4.09Å; F26-F172 HydrophobicContact CD2-CB 3.96Å; F26-F172 AromaticContact CD2-CD2 3.4Å; F26-F172 HydrophobicContact CD2-CD2 3.4Å; F26-F172 HydrophobicContact CD2-CE2 4.12Å; F26-F172 AromaticContact CD2-CG 3.82Å; F26-F172 HydrophobicContact CD2-CG 3.82Å; F26-F172 HydrophobicContact CE1-CB 3.9Å; F26-F172 AromaticContact CE1-CD1 3.9Å; F26-F172 HydrophobicContact CE1-CD1 3.9Å; F26-F172 HydrophobicContact CE1-CD2 4.13Å; F26-F172 AromaticContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE2-CB 3.55Å; F26-F172 AromaticContact CE2-CD2 3.94Å; F26-F172 HydrophobicContact CE2-CD2 3.94Å; F26-F172 AromaticContact CE2-CG 3.88Å; F26-F172 HydrophobicContact CE2-CG 3.88Å; F26-F172 HydrophobicContact CG-CB 4.31Å; F26-F172 HydrophobicContact CG-CD1 4.34Å; F26-F172 AromaticContact CG-CD2 3.22Å; F26-F172 HydrophobicContact CG-CD2 3.22Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.7Å; F26-F172 HydrophobicContact CG-CG 3.7Å; F26-F172 HydrophobicContact CG-CZ 4.18Å; F26-F172 HydrophobicContact CZ-CB 3.52Å; F26-F172 HydrophobicContact CZ-CD1 4.41Å; F26-F172 HydrophobicContact CZ-CD2 4.27Å; F26-F172 AromaticContact CZ-CG 3.82Å; F26-F172 HydrophobicContact CZ-CG 3.82Å |
| 27 | C | 95.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 28% | 0.284 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80.4 | -32.4 | -174.2 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | L23 T24 F43 L58 | L23-C27 WeakPolarHBondContact O-CB 3.41Å; L23-C27 PolarHBondContact O-N 3.4Å; L23-C27 PolarHBondContact O-SG 2.94Å; T24-C27 PolarHBondContact O-N 3.43Å; C27-F43 HydrophobicContact CB-CD1 4.41Å; C27-L58 VanDerWaalsContact SG-CD1 3.58Å |
| 28 | K | 93.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 55.6 Ų | 55.6 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -118.4 | -11.1 | -171.4 | -55.1 | -175.7 | -175.1 | 170.9 | 0 | 113.5 | T24 E30 | T24-K28 HydrophobicContact CG2-CD 4.17Å; T24-K28 WeakPolarHBondContact O-CA 3.26Å; T24-K28 VanDerWaalsContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CB 3.44Å; T24-K28 PolarHBondContact O-N 2.89Å; K28-E30 PolarHBondContact O-N 3.41Å |
| 29 | G | 94.2 | Very high | 93.5 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 72 | 5.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V25 K165 | V25-G29 WeakPolarHBondContact O-CA 3.4Å; V25-G29 PolarHBondContact O-N 2.83Å; G29-K165 WeakPolarHBondContact O-CE 3.26Å; G29-K165 PolarHBondContact O-NZ 3.5Å |
| 30 | E | 94.2 | Very high | 93.2 | Very high | 142 Ų | 142 | 63.3 Ų | 63.3 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | trans | -123.9 | 135.5 | -173.3 | -68.5 | -177.7 | 179.5 | 0 | 0 | 111.2 | T24 V25 K28 | T24-E30 WeakPolarHBondContact CG2-O 3.25Å; V25-E30 WeakPolarHBondContact CG2-O 3.15Å; K28-E30 PolarHBondContact O-N 3.41Å | ||
| 31 | F | 94.6 | Very high | 93 | Very high | 92 Ų | 92 | 66 Ų | 66 | 40% | 0.404 | 35% | 0.352 | S | S | . | . | trans | -84.1 | 127.4 | 175.2 | -175 | -94 | 0 | 0 | 0 | 109.2 | C21 V25 A162 K163 | C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 3.71Å; C21-F31 HydrophobicContact CB-CZ 4.43Å; V25-F31 HydrophobicContact CG2-CB 4Å; V25-F31 HydrophobicContact CG2-CD2 4.03Å; F31-A162 HydrophobicContact CD2-CB 3.94Å; F31-A162 HydrophobicContact CE2-CB 3.99Å; F31-K163 HydrophobicContact CD2-CB 4.1Å; F31-K163 HydrophobicContact CE2-CB 3.91Å; F31-K163 HydrophobicContact CZ-CB 4.19Å | ||
| 32 | P | 91.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | trans | -66.5 | 137.5 | -177.2 | 27 | -33.8 | 0 | 0 | 0 | 111.2 | C21 | C21-P32 HydrophobicContact CB-CG 4.28Š| ||
| 33 | S | 86.2 | Confident | 92.6 | Very high | 132 Ų | 132 | 69.6 Ų | 69.6 | 92% | 0.923 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -79.7 | -22.4 | 179.1 | 55 | 0 | 0 | 0 | 0 | 113.6 | ||
| 34 | L | 87.6 | Confident | 92.5 | Very high | 130 Ų | 130 | 74 Ų | 74 | 68% | 0.681 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -122.6 | 135.8 | -179 | -177.7 | 65.3 | 0 | 0 | 0 | 110.4 | V36 | L34-V36 HydrophobicContact CD2-CG2 4.21Å; L34-V36 HydrophobicContact CG-CG2 4.31Å |
| 35 | Y | 82.6 | Confident | 92.5 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | trans | -87.7 | 126.3 | 170 | 175 | -110.1 | 0 | 0 | 0 | 110.6 | A16 P37 | A16-Y35 HydrophobicContact CB-CE1 4.36Å; A16-Y35 HydrophobicContact CB-CE2 4.38Å; A16-Y35 PolarHBondContact N-OH 2.86Å; Y35-P37 HydrophobicContact CE1-CG 3.82Å | ||
| 36 | V | 87.1 | Confident | 92.4 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -126.5 | 126.8 | 168.8 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | L34 T38 | L34-V36 HydrophobicContact CD2-CG2 4.21Å; L34-V36 HydrophobicContact CG-CG2 4.31Å; V36-T38 PolarHBondContact O-N 2.84Å | ||
| 37 | P | 91.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 79.9 Ų | 79.9 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | -61.8 | 120.9 | 176.1 | -20.7 | 30.9 | 0 | 0 | 0 | 111.5 | Y35 | Y35-P37 HydrophobicContact CE1-CG 3.82Š| ||
| 38 | T | 91.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 84.5 Ų | 84.5 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | trans | -72.1 | 137.3 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | T20 V36 E41 D60 A62 | T20-T38 PolarHBondContact OG1-OG1 2.96Å; V36-T38 PolarHBondContact O-N 2.84Å; T38-E41 HydrophobicContact CG2-CG 4.16Å; T38-D60 HydrophobicContact CG2-CB 4.28Å; T38-D60 PolarHBondContact OG1-OD2 2.9Å; T38-A62 WeakPolarHBondContact O-CA 3.08Å; T38-A62 WeakPolarHBondContact O-CB 3.48Å | ||
| 39 | I | 89.8 | Confident | 92 | Very high | 99 Ų | 99 | 78.8 Ų | 78.8 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -86.4 | -61.3 | 165 | -61.6 | -177.5 | 0 | 0 | 0 | 108.4 | A62 Y67 | I39-A62 WeakPolarHBondContact O-CB 3.39Å; I39-A62 PolarHBondContact O-N 2.93Å; I39-A62 VanDerWaalsContact O-N 3.09Å; I39-Y67 HydrophobicContact CB-CE1 4.15Å; I39-Y67 HydrophobicContact CD1-CE1 4.15Å; I39-Y67 HydrophobicContact CG1-CE1 3.82Å; I39-Y67 WeakPolarHBondContact CG1-OH 3.14Å; I39-Y67 HydrophobicContact CG2-CD1 3.97Å; I39-Y67 HydrophobicContact CG2-CE1 3.58Å |
| 40 | F | 92.2 | Very high | 91.7 | Very high | 88 Ų | 88 | 82.9 Ų | 82.9 | 39% | 0.386 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 137 | 175.7 | 167.2 | -107.4 | 0 | 0 | 0 | 109.3 | W59 D60 | F40-W59 HydrophobicContact CD2-CE3 4.29Å; F40-W59 HydrophobicContact CE2-CB 4.2Å; F40-W59 AromaticContact CE2-CD2 3.81Å; F40-W59 HydrophobicContact CE2-CD2 3.81Å; F40-W59 AromaticContact CE2-CE3 3.19Å; F40-W59 HydrophobicContact CE2-CE3 3.19Å; F40-W59 HydrophobicContact CE2-CG 4.27Å; F40-W59 AromaticContact CE2-CZ3 3.76Å; F40-W59 HydrophobicContact CE2-CZ3 3.76Å; F40-W59 HydrophobicContact CZ-CD2 4.01Å; F40-W59 AromaticContact CZ-CE3 3.45Å; F40-W59 HydrophobicContact CZ-CE3 3.45Å; F40-W59 VanDerWaalsContact CZ-CE3 3.45Å; F40-W59 HydrophobicContact CZ-CH2 4.27Å; F40-W59 AromaticContact CZ-CZ3 3.59Å; F40-W59 HydrophobicContact CZ-CZ3 3.59Å; F40-D60 WeakPolarHBondContact CA-O 3.36Å; F40-D60 VanDerWaalsContact CD2-O 3.25Å; F40-D60 WeakPolarHBondContact CD2-O 3.43Å |
| 41 | E | 94.2 | Very high | 91.3 | Very high | 86 Ų | 86 | 83.8 Ų | 83.8 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.9 | 169 | -69.5 | -172.9 | -153.9 | 0 | 0 | 110.4 | T38 F43 D60 | T38-E41 HydrophobicContact CG2-CG 4.16Å; E41-F43 HydrophobicContact CB-CE2 3.81Å; E41-F43 HydrophobicContact CB-CZ 4.12Å; E41-F43 WeakPolarHBondContact OE2-CZ 3.2Å; E41-D60 HydrophobicContact CB-CB 4.19Å; E41-D60 PolarHBondContact N-O 3.12Å; E41-D60 PolarHBondContact O-N 2.86Å |
| 42 | S | 93.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 84.7 Ų | 84.7 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.8 | 174.7 | 66.2 | 0 | 0 | 0 | 0 | 111.4 | L58 | S42-L58 CarbonylContact C-O 3.34Å; S42-L58 VanDerWaalsContact CA-O 3.31Å; S42-L58 WeakPolarHBondContact CA-O 3.41Å |
| 43 | F | 95.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 89.6 Ų | 89.6 | 11% | 0.105 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.2 | 175.8 | -53.9 | -94.2 | 0 | 0 | 0 | 110 | L23 C27 E41 L58 D60 | L23-F43 HydrophobicContact CB-CE2 4.38Å; L23-F43 HydrophobicContact CD1-CE2 4.45Å; C27-F43 HydrophobicContact CB-CD1 4.41Å; E41-F43 HydrophobicContact CB-CE2 3.81Å; E41-F43 HydrophobicContact CB-CZ 4.12Å; E41-F43 WeakPolarHBondContact OE2-CZ 3.2Å; F43-L58 HydrophobicContact CB-CB 4.22Å; F43-L58 HydrophobicContact CB-CD1 4.3Å; F43-L58 PolarHBondContact N-O 2.91Å; F43-L58 PolarHBondContact O-N 2.9Å; F43-D60 HydrophobicContact CE2-CB 4.35Å |
| 44 | V | 95.8 | Very high | 91.7 | Very high | 93 Ų | 93 | 83.4 Ų | 83.4 | 56% | 0.564 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.7 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | E55 L56 | V44-E55 HydrophobicContact CG1-CG 3.64Å; V44-L56 WeakPolarHBondContact CA-O 3.35Å |
| 45 | S | 95.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 79.1 Ų | 79.1 | 16% | 0.161 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.7 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | F26 L56 | F26-S45 WeakPolarHBondContact CE1-OG 3.42Å; S45-L56 PolarHBondContact N-O 3.39Å; S45-L56 PolarHBondContact O-N 3.22Å |
| 46 | E | 94.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.5 | 176.1 | -70.1 | -171 | -169 | 0 | 0 | 110.4 | V54 | E46-V54 WeakPolarHBondContact CA-O 3.41Å |
| 47 | M | 94.5 | Very high | 93.4 | Very high | 29 Ų | 29 | 71.5 Ų | 71.5 | 14% | 0.143 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 166 | 174.5 | 71.9 | -170.2 | -33.9 | 0 | 0 | 112.2 | F26 I49 V54 L56 E173 A176 | F26-M47 HydrophobicContact CZ-CE 4.41Å; M47-I49 HydrophobicContact CE-CD1 4.28Å; M47-I49 HydrophobicContact CG-CD1 4.28Å; M47-I49 HydrophobicContact CG-CG1 4.1Å; M47-I49 HydrophobicContact SD-CD1 4.11Å; M47-I49 HydrophobicContact SD-CG1 4.36Å; M47-V54 HydrophobicContact CG-CB 4.43Å; M47-V54 PolarHBondContact N-O 3.22Å; M47-V54 PolarHBondContact O-N 3.34Å; M47-L56 HydrophobicContact SD-CD1 3.56Å; M47-L56 VanDerWaalsContact SD-CD1 3.56Å; M47-L56 HydrophobicContact SD-CG 4.24Å; M47-E173 HydrophobicContact CE-CB 4.28Å; M47-E173 HydrophobicContact CE-CG 3.44Å; M47-E173 VanDerWaalsContact CE-CG 3.44Å; M47-A176 HydrophobicContact CG-CB 4.49Å; M47-A176 HydrophobicContact SD-CB 3.46Å; M47-A176 WeakPolarHBondContact SD-CB 3.5Å |
| 48 | Q | 93.1 | Very high | 93.8 | Very high | 138 Ų | 138 | 68.6 Ų | 68.6 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.9 | 173.5 | -71.2 | -171.2 | -6.2 | 0 | 0 | 110.7 | K52 | Q48-K52 WeakPolarHBondContact CA-O 3.36Å |
| 49 | I | 91 | Very high | 94.1 | Very high | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.3 | 174.2 | -57.1 | -66.3 | 0 | 0 | 0 | 108 | M47 N51 K52 V54 A176 R177 | M47-I49 HydrophobicContact CE-CD1 4.28Å; M47-I49 HydrophobicContact CG-CD1 4.28Å; M47-I49 HydrophobicContact CG-CG1 4.1Å; M47-I49 HydrophobicContact SD-CD1 4.11Å; M47-I49 HydrophobicContact SD-CG1 4.36Å; I49-N51 VanDerWaalsContact C-N 3.31Å; I49-N51 PolarHBondContact O-N 3.49Å; I49-K52 PolarHBondContact N-O 2.84Å; I49-K52 WeakPolarHBondContact O-CB 3.45Å; I49-K52 PolarHBondContact O-N 3.13Å; I49-V54 HydrophobicContact CB-CG2 3.99Å; I49-V54 HydrophobicContact CG1-CB 4.5Å; I49-V54 HydrophobicContact CG1-CG2 4.03Å; I49-A176 HydrophobicContact CD1-CB 3.98Å; I49-A176 HydrophobicContact CG1-CB 3.89Å; I49-R177 HydrophobicContact CG2-CB 4.24Å |
| 50 | N | 88 | Confident | 94.5 | Very high | 118 Ų | 118 | 65.8 Ų | 65.8 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47.5 | 179.9 | -60 | -28.9 | 0 | 0 | 0 | 113.2 | K52 | N50-K52 PolarHBondContact O-N 3.3Å; N50-K52 VanDerWaalsContact O-N 3.15Å |
| 51 | N | 87.3 | Confident | 94.8 | Very high | 160 Ų | 160 | 61.7 Ų | 61.7 | 86% | 0.856 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 15 | -175.5 | -62.6 | -10.5 | 0 | 0 | 0 | 115.5 | I49 | I49-N51 VanDerWaalsContact C-N 3.31Å; I49-N51 PolarHBondContact O-N 3.49Å |
| 52 | K | 90.5 | Very high | 94.9 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.5 | 173.3 | -55.5 | -178.3 | -171.2 | 172.8 | 0 | 109.3 | I5 Q48 I49 N50 V54 | I5-K52 HydrophobicContact CD1-CB 4.08Å; I5-K52 HydrophobicContact CD1-CD 3.56Å; I5-K52 HydrophobicContact CD1-CG 4.4Å; Q48-K52 WeakPolarHBondContact CA-O 3.36Å; I49-K52 PolarHBondContact N-O 2.84Å; I49-K52 WeakPolarHBondContact O-CB 3.45Å; I49-K52 PolarHBondContact O-N 3.13Å; N50-K52 PolarHBondContact O-N 3.3Å; N50-K52 VanDerWaalsContact O-N 3.15Å; K52-V54 PolarHBondContact O-N 2.85Å |
| 53 | R | 94.5 | Very high | 94.9 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.4 | 170.3 | -66.5 | -173.4 | -178.8 | -169.4 | -1.9 | 108.6 | V4 I5 | V4-R53 HydrophobicContact CG2-CB 4.26Å; I5-R53 PolarHBondContact N-O 3.2Å |
| 54 | V | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 178.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | I5 K7 E46 M47 I49 K52 L56 | I5-V54 HydrophobicContact CB-CG2 4.39Å; I5-V54 CarbonylContact O-C 3.59Å; I5-V54 VanDerWaalsContact O-CA 3.26Å; I5-V54 WeakPolarHBondContact O-CA 3.23Å; K7-V54 HydrophobicContact CG-CG1 4.25Å; E46-V54 WeakPolarHBondContact CA-O 3.41Å; M47-V54 HydrophobicContact CG-CB 4.43Å; M47-V54 PolarHBondContact N-O 3.22Å; M47-V54 PolarHBondContact O-N 3.34Å; I49-V54 HydrophobicContact CB-CG2 3.99Å; I49-V54 HydrophobicContact CG1-CB 4.5Å; I49-V54 HydrophobicContact CG1-CG2 4.03Å; K52-V54 PolarHBondContact O-N 2.85Å; V54-L56 HydrophobicContact CG1-CD2 3.69Å; V54-L56 HydrophobicContact CG1-CG 4.4Å |
| 55 | E | 97.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.7 | 171 | -178.9 | -168.8 | 97.6 | 0 | 0 | 107.6 | V4 I5 R6 K7 V44 | V4-E55 HydrophobicContact CG1-CB 3.7Å; I5-E55 PolarHBondContact O-N 2.93Å; R6-E55 CarbonylContact C-O 3.56Å; R6-E55 WeakPolarHBondContact CA-O 3.23Å; R6-E55 WeakPolarHBondContact CD-OE1 3.44Å; R6-E55 HydrophobicContact CG-CB 4.25Å; R6-E55 WeakPolarHBondContact CG-OE1 3.21Å; R6-E55 IonicContact NE-OE1 3.17Å; R6-E55 PolarHBondContact NE-OE1 2.64Å; R6-E55 IonicContact NE-OE2 2.83Å; R6-E55 IonicContact NH2-OE2 2.67Å; K7-E55 PolarHBondContact N-O 2.71Å; V44-E55 HydrophobicContact CG1-CG 3.64Å |
| 56 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.5 | 176.8 | -58.5 | -177.2 | 0 | 0 | 0 | 109.7 | K7 L9 V44 S45 M47 V54 L58 A176 | K7-L56 HydrophobicContact CB-CD2 4.08Å; K7-L56 CarbonylContact O-C 3.52Å; K7-L56 WeakPolarHBondContact O-CA 3.26Å; L9-L56 HydrophobicContact CD1-CD2 3.78Å; L9-L56 HydrophobicContact CD2-CD1 4.23Å; V44-L56 WeakPolarHBondContact CA-O 3.35Å; S45-L56 PolarHBondContact N-O 3.39Å; S45-L56 PolarHBondContact O-N 3.22Å; M47-L56 HydrophobicContact SD-CD1 3.56Å; M47-L56 VanDerWaalsContact SD-CD1 3.56Å; M47-L56 HydrophobicContact SD-CG 4.24Å; V54-L56 HydrophobicContact CG1-CD2 3.69Å; V54-L56 HydrophobicContact CG1-CG 4.4Å; L56-L58 HydrophobicContact CB-CD2 3.7Å; L56-L58 HydrophobicContact CB-CG 4.27Å; L56-L58 HydrophobicContact CD1-CD2 4.14Å; L56-A176 HydrophobicContact CD1-CB 4.11Å; L56-A176 HydrophobicContact CD2-CB 3.86Å; L56-A176 HydrophobicContact CG-CB 4.48Å |
| 57 | N | 98 | Very high | 94.6 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.6 | 166.5 | -168.7 | -24.3 | 0 | 0 | 0 | 108.1 | K7 K8 L9 W59 | K7-N57 PolarHBondContact O-N 3.15Å; K8-N57 WeakPolarHBondContact CA-O 3.34Å; L9-N57 PolarHBondContact N-O 2.82Å; N57-W59 PolarHBondContact OD1-NE1 3.5Å |
| 58 | L | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.6 | -172.4 | -48.1 | 174.3 | 0 | 0 | 0 | 109.7 | L9 L23 F26 C27 S42 F43 L56 F172 | L9-L58 HydrophobicContact CB-CD2 3.83Å; L9-L58 HydrophobicContact CD2-CD2 3.7Å; L9-L58 HydrophobicContact CG-CD2 4.26Å; L23-L58 HydrophobicContact CD2-CB 3.74Å; L23-L58 HydrophobicContact CD2-CD1 3.69Å; L23-L58 HydrophobicContact CD2-CG 4.23Å; F26-L58 HydrophobicContact CD1-CD1 3.77Å; F26-L58 HydrophobicContact CE1-CD1 3.84Å; C27-L58 VanDerWaalsContact SG-CD1 3.58Å; S42-L58 CarbonylContact C-O 3.34Å; S42-L58 VanDerWaalsContact CA-O 3.31Å; S42-L58 WeakPolarHBondContact CA-O 3.41Å; F43-L58 HydrophobicContact CB-CB 4.22Å; F43-L58 HydrophobicContact CB-CD1 4.3Å; F43-L58 PolarHBondContact N-O 2.91Å; F43-L58 PolarHBondContact O-N 2.9Å; L56-L58 HydrophobicContact CB-CD2 3.7Å; L56-L58 HydrophobicContact CB-CG 4.27Å; L56-L58 HydrophobicContact CD1-CD2 4.14Å; L58-F172 HydrophobicContact CD1-CE1 4.27Å; L58-F172 HydrophobicContact CD2-CD1 4.14Å; L58-F172 HydrophobicContact CD2-CE1 4.13Å |
| 59 | W | 98.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.1 | -177.8 | -68.3 | 54.3 | 0 | 0 | 0 | 109 | K8 L9 V10 V11 F40 N57 | K8-W59 HydrophobicContact CD-CZ2 4.42Å; L9-W59 PolarHBondContact O-N 3.44Å; V10-W59 HydrophobicContact CB-CB 4.43Å; V10-W59 HydrophobicContact CG1-CB 4.42Å; V10-W59 HydrophobicContact CG2-CB 3.99Å; V10-W59 HydrophobicContact CG2-CG 4.3Å; V11-W59 PolarHBondContact N-O 3.11Å; F40-W59 HydrophobicContact CD2-CE3 4.29Å; F40-W59 HydrophobicContact CE2-CB 4.2Å; F40-W59 AromaticContact CE2-CD2 3.81Å; F40-W59 HydrophobicContact CE2-CD2 3.81Å; F40-W59 AromaticContact CE2-CE3 3.19Å; F40-W59 HydrophobicContact CE2-CE3 3.19Å; F40-W59 HydrophobicContact CE2-CG 4.27Å; F40-W59 AromaticContact CE2-CZ3 3.76Å; F40-W59 HydrophobicContact CE2-CZ3 3.76Å; F40-W59 HydrophobicContact CZ-CD2 4.01Å; F40-W59 AromaticContact CZ-CE3 3.45Å; F40-W59 HydrophobicContact CZ-CE3 3.45Å; F40-W59 VanDerWaalsContact CZ-CE3 3.45Å; F40-W59 HydrophobicContact CZ-CH2 4.27Å; F40-W59 AromaticContact CZ-CZ3 3.59Å; F40-W59 HydrophobicContact CZ-CZ3 3.59Å; N57-W59 PolarHBondContact OD1-NE1 3.5Å |
| 60 | D | 98 | Very high | 95 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 138.8 | 170.2 | -161.9 | 7.7 | 0 | 0 | 0 | 109.9 | T20 L23 T38 F40 E41 F43 | T20-D60 VanDerWaalsContact CA-OD2 3.32Å; T20-D60 WeakPolarHBondContact CA-OD2 3.15Å; T20-D60 VanDerWaalsContact CB-OD2 3.22Å; T20-D60 WeakPolarHBondContact CB-OD2 3.24Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.37Å; T20-D60 PolarHBondContact OG1-OD2 2.76Å; L23-D60 HydrophobicContact CD1-CB 3.43Å; L23-D60 VanDerWaalsContact CD1-CB 3.43Å; T38-D60 HydrophobicContact CG2-CB 4.28Å; T38-D60 PolarHBondContact OG1-OD2 2.9Å; F40-D60 WeakPolarHBondContact CA-O 3.36Å; F40-D60 VanDerWaalsContact CD2-O 3.25Å; F40-D60 WeakPolarHBondContact CD2-O 3.43Å; E41-D60 HydrophobicContact CB-CB 4.19Å; E41-D60 PolarHBondContact N-O 3.12Å; E41-D60 PolarHBondContact O-N 2.86Å; F43-D60 HydrophobicContact CE2-CB 4.35Å |
| 61 | T | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152 | -173.9 | 69.8 | 0 | 0 | 0 | 0 | 113 | V10 V11 V12 K19 G63 R71 | V10-T61 HydrophobicContact CG1-CG2 3.91Å; V11-T61 PolarHBondContact O-OG1 2.72Å; V12-T61 HydrophobicContact CG1-CG2 4.38Å; V12-T61 WeakPolarHBondContact CG1-OG1 3.35Å; K19-T61 WeakPolarHBondContact CE-O 3.43Å; T61-G63 PolarHBondContact O-N 3.28Å; T61-R71 HydrophobicContact CG2-CG 4.28Å |
| 62 | A | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | trans | -60.6 | 132.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T38 I39 Y67 R71 | T38-A62 WeakPolarHBondContact O-CA 3.08Å; T38-A62 WeakPolarHBondContact O-CB 3.48Å; I39-A62 WeakPolarHBondContact O-CB 3.39Å; I39-A62 PolarHBondContact O-N 2.93Å; I39-A62 VanDerWaalsContact O-N 3.09Å; A62-Y67 VanDerWaalsContact CB-CB 3.49Å; A62-Y67 HydrophobicContact CB-CD1 4.22Å; A62-Y67 HydrophobicContact CB-CD2 3.63Å; A62-Y67 HydrophobicContact CB-CE2 4.44Å; A62-Y67 HydrophobicContact CB-CG 3.5Å; A62-R71 PolarHBondContact O-NE 2.83Å; A62-R71 PolarHBondContact O-NH2 3.26Å | ||
| 63 | G | 94.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | trans | -93.3 | -3.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | G13 G15 T61 | G13-G63 WeakPolarHBondContact O-CA 3.36Å; G15-G63 PolarHBondContact N-O 2.85Å; T61-G63 PolarHBondContact O-N 3.28Å | ||
| 64 | Q | 93.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -85 | 148.5 | -179.9 | -63.2 | 176.3 | 71.5 | 0 | 0 | 110.8 | D66 Y67 R71 | Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 PolarHBondContact O-N 2.81Å; Q64-Y67 HydrophobicContact CB-CD2 4.06Å; Q64-Y67 HydrophobicContact CB-CE2 4.49Å; Q64-Y67 PolarHBondContact O-N 2.85Å; Q64-R71 PolarHBondContact O-NH2 3.37Å |
| 65 | E | 92.2 | Very high | 96.4 | Very high | 132 Ų | 132 | 53.2 Ų | 53.2 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -66.9 | -28.7 | -177.8 | -72 | 177.4 | 177 | 0 | 0 | 113.2 | Y67 D68 K99 | E65-Y67 PolarHBondContact O-N 2.78Å; E65-D68 VanDerWaalsContact O-CB 3.3Å; E65-D68 WeakPolarHBondContact O-CB 3.3Å; E65-D68 VanDerWaalsContact O-CG 3.22Å; E65-D68 PolarHBondContact O-N 3.47Å; E65-K99 IonicContact OE1-NZ 2.81Å; E65-K99 PolarHBondContact OE1-NZ 2.88Å |
| 66 | D | 94.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 54.8 Ų | 54.8 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -55.4 | -22.6 | 175.3 | -60.1 | -40.1 | 0 | 0 | 0 | 112.9 | Q64 | Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 PolarHBondContact O-N 2.81Å |
| 67 | Y | 95.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -103.6 | 8.2 | -179.7 | -61.6 | -87.8 | 0 | 0 | 0 | 113.8 | I39 A62 Q64 E65 R69 L70 R71 | I39-Y67 HydrophobicContact CB-CE1 4.15Å; I39-Y67 HydrophobicContact CD1-CE1 4.15Å; I39-Y67 HydrophobicContact CG1-CE1 3.82Å; I39-Y67 WeakPolarHBondContact CG1-OH 3.14Å; I39-Y67 HydrophobicContact CG2-CD1 3.97Å; I39-Y67 HydrophobicContact CG2-CE1 3.58Å; A62-Y67 VanDerWaalsContact CB-CB 3.49Å; A62-Y67 HydrophobicContact CB-CD1 4.22Å; A62-Y67 HydrophobicContact CB-CD2 3.63Å; A62-Y67 HydrophobicContact CB-CE2 4.44Å; A62-Y67 HydrophobicContact CB-CG 3.5Å; Q64-Y67 HydrophobicContact CB-CD2 4.06Å; Q64-Y67 HydrophobicContact CB-CE2 4.49Å; Q64-Y67 PolarHBondContact O-N 2.85Å; E65-Y67 PolarHBondContact O-N 2.78Å; Y67-R69 PolarHBondContact O-N 2.82Å; Y67-R69 VanDerWaalsContact O-N 3.11Å; Y67-L70 HydrophobicContact CD1-CD1 3.9Å; Y67-L70 HydrophobicContact CE1-CD1 4.42Å; Y67-L70 PolarHBondContact O-N 2.94Å; Y67-R71 WeakPolarHBondContact O-CB 3.44Å; Y67-R71 PolarHBondContact O-N 2.77Å |
| 68 | D | 95.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.4 | -178.2 | -78.1 | -5.9 | 0 | 0 | 0 | 113 | E65 R71 P72 | E65-D68 VanDerWaalsContact O-CB 3.3Å; E65-D68 WeakPolarHBondContact O-CB 3.3Å; E65-D68 VanDerWaalsContact O-CG 3.22Å; E65-D68 PolarHBondContact O-N 3.47Å; D68-R71 IonicContact OD1-CZ 2.79Å; D68-R71 VanDerWaalsContact OD1-CZ 3.23Å; D68-R71 IonicContact OD1-NH1 2.96Å; D68-R71 PolarHBondContact OD1-NH1 3.1Å; D68-R71 IonicContact OD1-NH2 2.98Å; D68-R71 PolarHBondContact OD1-NH2 3.01Å; D68-P72 WeakPolarHBondContact O-CD 3.35Å; D68-P72 WeakPolarHBondContact O-CG 3.4Å |
| 69 | R | 95.1 | Very high | 96.3 | Very high | 234 Ų | 234 | 60.3 Ų | 60.3 | 88% | 0.883 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -24.4 | 176.1 | -64.6 | -175 | 179.8 | -179.5 | 0.9 | 113.9 | Y67 | Y67-R69 PolarHBondContact O-N 2.82Å; Y67-R69 VanDerWaalsContact O-N 3.11Å |
| 70 | L | 95.5 | Very high | 96.3 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -37.4 | -177.8 | -68.2 | 176.5 | 0 | 0 | 0 | 111.8 | Y67 P72 L73 | Y67-L70 HydrophobicContact CD1-CD1 3.9Å; Y67-L70 HydrophobicContact CE1-CD1 4.42Å; Y67-L70 PolarHBondContact O-N 2.94Å; L70-P72 VanDerWaalsContact C-CD 3.44Å; L70-P72 VanDerWaalsContact C-N 3.32Å; L70-L73 HydrophobicContact CD2-CD1 4.2Å; L70-L73 VanDerWaalsContact O-CB 3.26Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 WeakPolarHBondContact O-CG 3.43Å; L70-L73 PolarHBondContact O-N 2.95Å |
| 71 | R | 97.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -51.6 | -41.4 | -178.8 | -168 | -173 | -48.3 | 109.2 | 6.3 | 113.6 | T61 A62 Q64 Y67 D68 L73 S74 Y75 W100 E103 | T61-R71 HydrophobicContact CG2-CG 4.28Å; A62-R71 PolarHBondContact O-NE 2.83Å; A62-R71 PolarHBondContact O-NH2 3.26Å; Q64-R71 PolarHBondContact O-NH2 3.37Å; Y67-R71 WeakPolarHBondContact O-CB 3.44Å; Y67-R71 PolarHBondContact O-N 2.77Å; D68-R71 IonicContact OD1-CZ 2.79Å; D68-R71 VanDerWaalsContact OD1-CZ 3.23Å; D68-R71 IonicContact OD1-NH1 2.96Å; D68-R71 PolarHBondContact OD1-NH1 3.1Å; D68-R71 IonicContact OD1-NH2 2.98Å; D68-R71 PolarHBondContact OD1-NH2 3.01Å; R71-L73 PolarHBondContact O-N 2.96Å; R71-L73 VanDerWaalsContact O-N 3.13Å; R71-S74 VanDerWaalsContact O-CB 3.27Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 3.2Å; R71-Y75 WeakPolarHBondContact CD-OH 3.08Å; R71-Y75 HydrophobicContact CG-CE1 4.26Å; R71-Y75 WeakPolarHBondContact CG-OH 3.17Å; R71-W100 VanDerWaalsContact CZ-CH2 3.49Å; R71-E103 WeakPolarHBondContact CD-OE1 3.28Å; R71-E103 IonicContact NH1-OE1 3.43Å; R71-E103 PolarHBondContact NH1-OE1 3.23Å; R71-E103 IonicContact NH1-OE2 2.71Å; R71-E103 PolarHBondContact NH1-OE2 3.36Å |
| 72 | P | 97.7 | Very high | 96.4 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -64.9 | -17.3 | -179.7 | -24.8 | 36.8 | 0 | 0 | 0 | 115 | D68 L70 S74 Y75 F107 | D68-P72 WeakPolarHBondContact O-CD 3.35Å; D68-P72 WeakPolarHBondContact O-CG 3.4Å; L70-P72 VanDerWaalsContact C-CD 3.44Å; L70-P72 VanDerWaalsContact C-N 3.32Å; P72-S74 PolarHBondContact O-N 3.41Å; P72-Y75 VanDerWaalsContact CA-CD2 3.48Å; P72-Y75 HydrophobicContact CB-CD2 3.89Å; P72-Y75 HydrophobicContact CB-CE2 4.1Å; P72-Y75 HydrophobicContact CG-CE2 4.22Å; P72-Y75 WeakPolarHBondContact O-CB 3.43Å; P72-Y75 PolarHBondContact O-N 3.18Å; P72-F107 HydrophobicContact CB-CD1 4.02Å; P72-F107 HydrophobicContact CB-CD2 4.17Å; P72-F107 HydrophobicContact CB-CE1 3.7Å; P72-F107 HydrophobicContact CB-CE2 3.88Å; P72-F107 HydrophobicContact CB-CG 4.25Å; P72-F107 HydrophobicContact CB-CZ 3.63Å; P72-F107 HydrophobicContact CG-CD2 4.23Å; P72-F107 HydrophobicContact CG-CE1 4.19Å; P72-F107 HydrophobicContact CG-CE2 3.6Å; P72-F107 HydrophobicContact CG-CZ 3.58Å |
| 73 | L | 96.6 | Very high | 96.5 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 67% | 0.67 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -64.4 | -20.3 | 172.8 | -57.5 | 178.7 | 0 | 0 | 0 | 112.1 | L70 R71 P76 | L70-L73 HydrophobicContact CD2-CD1 4.2Å; L70-L73 VanDerWaalsContact O-CB 3.26Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 WeakPolarHBondContact O-CG 3.43Å; L70-L73 PolarHBondContact O-N 2.95Å; R71-L73 PolarHBondContact O-N 2.96Å; R71-L73 VanDerWaalsContact O-N 3.13Å; L73-P76 WeakPolarHBondContact O-CD 3.22Å |
| 74 | S | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -80.1 | -13.8 | 174.5 | -62 | 0 | 0 | 0 | 0 | 113.8 | K8 V10 R71 P72 | K8-S74 WeakPolarHBondContact CE-O 3.4Å; K8-S74 PolarHBondContact NZ-O 3.34Å; V10-S74 WeakPolarHBondContact CG2-O 3.39Å; R71-S74 VanDerWaalsContact O-CB 3.27Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 3.2Å; P72-S74 PolarHBondContact O-N 3.41Å |
| 75 | Y | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -81 | -27.6 | -170.8 | -64 | -15.5 | 0 | 0 | 0 | 117.3 | V10 V12 R71 P72 D77 T78 E103 F107 L108 | V10-Y75 HydrophobicContact CG1-CD1 3.97Å; V10-Y75 HydrophobicContact CG1-CE1 3.86Å; V12-Y75 HydrophobicContact CG1-CE1 3.85Å; R71-Y75 WeakPolarHBondContact CD-OH 3.08Å; R71-Y75 HydrophobicContact CG-CE1 4.26Å; R71-Y75 WeakPolarHBondContact CG-OH 3.17Å; P72-Y75 VanDerWaalsContact CA-CD2 3.48Å; P72-Y75 HydrophobicContact CB-CD2 3.89Å; P72-Y75 HydrophobicContact CB-CE2 4.1Å; P72-Y75 HydrophobicContact CG-CE2 4.22Å; P72-Y75 WeakPolarHBondContact O-CB 3.43Å; P72-Y75 PolarHBondContact O-N 3.18Å; Y75-D77 PolarHBondContact O-N 3.46Å; Y75-T78 WeakPolarHBondContact O-CB 3.3Å; Y75-T78 PolarHBondContact O-N 3.34Å; Y75-T78 PolarHBondContact O-OG1 3.46Å; Y75-E103 HydrophobicContact CE2-CG 4.32Å; Y75-E103 PolarHBondContact OH-OE1 3.05Å; Y75-F107 HydrophobicContact CD2-CB 3.51Å; Y75-F107 AromaticContact CD2-CD2 3.85Å; Y75-F107 HydrophobicContact CD2-CD2 3.85Å; Y75-F107 AromaticContact CD2-CG 3.73Å; Y75-F107 HydrophobicContact CD2-CG 3.73Å; Y75-F107 HydrophobicContact CE2-CB 4.21Å; Y75-F107 AromaticContact CE2-CD2 3.81Å; Y75-F107 HydrophobicContact CE2-CD2 3.81Å; Y75-F107 HydrophobicContact CE2-CG 4.19Å; Y75-F107 HydrophobicContact CG-CB 4.42Å; Y75-L108 HydrophobicContact CD1-CD1 4.22Å; Y75-L108 HydrophobicContact CG-CD1 4.05Å; Y75-L108 HydrophobicContact CG-CG 4.34Å; Y75-L108 WeakPolarHBondContact O-CD2 3.25Å | ||
| 76 | P | 96.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 139.1 | 177.6 | -29.3 | 36.7 | 0 | 0 | 0 | 112.8 | K8 L73 T78 | K8-P76 WeakPolarHBondContact CE-O 3.45Å; K8-P76 PolarHBondContact NZ-O 2.98Å; L73-P76 WeakPolarHBondContact O-CD 3.22Å; P76-T78 PolarHBondContact O-N 2.88Å; P76-T78 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 95.5 | Very high | 97.5 | Very high | 141 Ų | 141 | 41.1 Ų | 41.1 | 75% | 0.754 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 12.8 | 177.8 | -51.3 | -49.5 | 0 | 0 | 0 | 116.5 | Y75 N79 | Y75-D77 PolarHBondContact O-N 3.46Å; D77-N79 PolarHBondContact O-N 3.43Å; D77-N79 PolarHBondContact O-ND2 2.88Å |
| 78 | T | 98.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | trans | -58.2 | 135.9 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | V10 Y75 P76 V80 V81 L108 I111 | V10-T78 HydrophobicContact CB-CG2 4.11Å; V10-T78 HydrophobicContact CG2-CG2 3.8Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.34Å; Y75-T78 WeakPolarHBondContact O-CB 3.3Å; Y75-T78 PolarHBondContact O-N 3.34Å; Y75-T78 PolarHBondContact O-OG1 3.46Å; P76-T78 PolarHBondContact O-N 2.88Å; P76-T78 VanDerWaalsContact O-N 3.12Å; T78-V80 VanDerWaalsContact CG2-O 3.24Å; T78-V80 WeakPolarHBondContact CG2-O 3.38Å; T78-V81 HydrophobicContact CG2-CG2 3.98Å; T78-L108 HydrophobicContact CG2-CD1 4.16Å; T78-I111 HydrophobicContact CG2-CG2 4.01Å; T78-I111 WeakPolarHBondContact O-CD1 3.44Å | ||
| 79 | N | 98.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -104.9 | -25.8 | 178.5 | -54.6 | 135.7 | 0 | 0 | 0 | 113.3 | K7 K8 D77 P112 A179 | K7-N79 VanDerWaalsContact CA-OD1 3.25Å; K7-N79 WeakPolarHBondContact CA-OD1 3.5Å; K7-N79 HydrophobicContact CD-CB 4.02Å; K7-N79 WeakPolarHBondContact CD-OD1 3.42Å; K8-N79 PolarHBondContact N-OD1 3.07Å; K8-N79 PolarHBondContact O-N 3.38Å; D77-N79 PolarHBondContact O-N 3.43Å; D77-N79 PolarHBondContact O-ND2 2.88Å; N79-P112 WeakPolarHBondContact O-CD 3.24Å; N79-P112 WeakPolarHBondContact O-CG 3.19Å; N79-A179 HydrophobicContact CB-CB 4.03Å |
| 80 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 148.5 | 170.3 | 67.5 | 0 | 0 | 0 | 0 | 108.8 | K8 L9 V10 T78 P112 A175 I178 A179 | K8-V80 PolarHBondContact O-N 3.22Å; L9-V80 WeakPolarHBondContact CA-O 3.49Å; L9-V80 HydrophobicContact CB-CG1 4.45Å; L9-V80 HydrophobicContact CD1-CG1 3.63Å; L9-V80 HydrophobicContact CD2-CG1 4.25Å; L9-V80 HydrophobicContact CG-CG1 3.44Å; L9-V80 VanDerWaalsContact CG-CG1 3.44Å; V10-V80 PolarHBondContact N-O 3Å; T78-V80 VanDerWaalsContact CG2-O 3.24Å; T78-V80 WeakPolarHBondContact CG2-O 3.38Å; V80-P112 WeakPolarHBondContact CA-O 3.4Å; V80-P112 HydrophobicContact CB-CG 4.14Å; V80-P112 HydrophobicContact CG2-CB 4.32Å; V80-P112 HydrophobicContact CG2-CG 4.07Å; V80-P112 WeakPolarHBondContact CG2-O 3.45Å; V80-A175 HydrophobicContact CG1-CB 4.14Å; V80-I178 HydrophobicContact CB-CG2 4.36Å; V80-I178 HydrophobicContact CG2-CB 4.46Å; V80-I178 HydrophobicContact CG2-CG2 3.76Å; V80-A179 HydrophobicContact CB-CB 4.11Å; V80-A179 HydrophobicContact CG1-CB 3.78Å |
| 81 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.9 | 173 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V10 V12 T78 L83 I104 L108 I111 P112 V113 I114 | V10-V81 WeakPolarHBondContact O-CA 3.45Å; V12-V81 HydrophobicContact CG2-CG1 3.45Å; V12-V81 VanDerWaalsContact CG2-CG1 3.45Å; T78-V81 HydrophobicContact CG2-CG2 3.98Å; V81-L83 HydrophobicContact CG1-CB 4.43Å; V81-I104 HydrophobicContact CG1-CD1 3.84Å; V81-I104 HydrophobicContact CG1-CG1 4.28Å; V81-I104 HydrophobicContact CG2-CG2 4.27Å; V81-L108 HydrophobicContact CG2-CD1 3.63Å; V81-I111 HydrophobicContact CG2-CG2 3.99Å; V81-P112 PolarHBondContact N-O 3.2Å; V81-V113 HydrophobicContact CB-CG2 4.22Å; V81-V113 WeakPolarHBondContact O-CA 3.19Å; V81-I114 PolarHBondContact O-N 2.82Å |
| 82 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 101.2 | 167.4 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | L9 V10 V11 V12 I114 V116 V171 A175 | L9-V82 HydrophobicContact CD2-CG2 4.35Å; V10-V82 PolarHBondContact O-N 3.09Å; V11-V82 VanDerWaalsContact CA-O 3.32Å; V11-V82 WeakPolarHBondContact CA-O 3.43Å; V11-V82 HydrophobicContact CB-CB 4.49Å; V11-V82 HydrophobicContact CG1-CB 4.28Å; V11-V82 HydrophobicContact CG1-CG1 4.33Å; V11-V82 HydrophobicContact CG2-CB 4.13Å; V12-V82 PolarHBondContact N-O 2.98Å; V82-I114 HydrophobicContact CB-CG1 4.27Å; V82-I114 HydrophobicContact CG1-CD1 4.18Å; V82-I114 HydrophobicContact CG1-CG1 4.18Å; V82-I114 HydrophobicContact CG2-CD1 4.02Å; V82-I114 HydrophobicContact CG2-CG1 4.07Å; V82-V116 HydrophobicContact CG1-CB 4.4Å; V82-V116 HydrophobicContact CG1-CG2 3.61Å; V82-V171 HydrophobicContact CG1-CG1 4.04Å; V82-A175 HydrophobicContact CG2-CB 4.18Å |
| 83 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.8 | -178.5 | 176.1 | 55.7 | 0 | 0 | 0 | 109.4 | V12 V81 I96 W100 M101 I104 V113 I114 L115 V116 I152 | V12-L83 HydrophobicContact CG2-CB 4.45Å; V12-L83 HydrophobicContact CG2-CD1 3.85Å; V81-L83 HydrophobicContact CG1-CB 4.43Å; L83-I96 HydrophobicContact CD1-CD1 3.71Å; L83-I96 HydrophobicContact CD2-CD1 4.02Å; L83-I96 HydrophobicContact CD2-CG2 3.8Å; L83-I96 HydrophobicContact CG-CD1 3.68Å; L83-W100 HydrophobicContact CD1-CB 3.53Å; L83-W100 HydrophobicContact CD1-CD2 4.43Å; L83-W100 HydrophobicContact CD1-CG 3.87Å; L83-W100 HydrophobicContact CD2-CB 4.3Å; L83-M101 HydrophobicContact CD2-SD 4.42Å; L83-I104 HydrophobicContact CB-CD1 4.34Å; L83-I104 HydrophobicContact CD1-CD1 4.08Å; L83-I104 HydrophobicContact CD2-CD1 3.81Å; L83-I104 HydrophobicContact CG-CD1 4.3Å; L83-V113 HydrophobicContact CB-CG1 3.69Å; L83-V113 HydrophobicContact CD2-CG1 4.15Å; L83-I114 PolarHBondContact N-O 3.17Å; L83-L115 HydrophobicContact CB-CD1 4.4Å; L83-L115 HydrophobicContact CD2-CD1 4.26Å; L83-L115 HydrophobicContact CG-CD1 3.99Å; L83-L115 CarbonylContact O-C 3.58Å; L83-L115 WeakPolarHBondContact O-CA 3.3Å; L83-V116 PolarHBondContact O-N 2.98Å; L83-I152 HydrophobicContact CD2-CD1 4.15Å |
| 84 | C | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.9 | -170.3 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | V12 G13 K19 V116 | V12-C84 PolarHBondContact O-N 2.94Å; G13-C84 VanDerWaalsContact CA-O 3.27Å; G13-C84 WeakPolarHBondContact CA-O 3.25Å; K19-C84 HydrophobicContact CG-CB 3.93Å; C84-V116 WeakPolarHBondContact CA-O 3.36Å |
| 85 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 174.7 | 158.2 | 74.6 | -83.5 | 0 | 0 | 0 | 108.6 | S92 L93 I96 L115 V116 A117 N118 V140 Y157 | F85-S92 VanDerWaalsContact CB-O 3.31Å; F85-S92 WeakPolarHBondContact CB-O 3.31Å; F85-S92 WeakPolarHBondContact CB-OG 3.46Å; F85-L93 HydrophobicContact CD1-CD1 3.81Å; F85-L93 HydrophobicContact CD2-CB 3.87Å; F85-L93 HydrophobicContact CD2-CD1 4.07Å; F85-L93 HydrophobicContact CE1-CD1 3.68Å; F85-L93 HydrophobicContact CE2-CB 4.24Å; F85-L93 HydrophobicContact CE2-CD1 3.99Å; F85-L93 HydrophobicContact CG-CB 4.22Å; F85-L93 HydrophobicContact CG-CD1 3.98Å; F85-L93 HydrophobicContact CZ-CD1 3.76Å; F85-I96 HydrophobicContact CB-CD1 4.11Å; F85-I96 HydrophobicContact CB-CG1 4.18Å; F85-I96 HydrophobicContact CD1-CG1 4.45Å; F85-L115 HydrophobicContact CD1-CD1 3.95Å; F85-L115 HydrophobicContact CD1-CD2 4.48Å; F85-L115 HydrophobicContact CD1-CG 4.18Å; F85-L115 HydrophobicContact CE1-CD1 4.32Å; F85-L115 HydrophobicContact CE1-CD2 4.11Å; F85-L115 HydrophobicContact CE1-CG 4.04Å; F85-V116 WeakPolarHBondContact CD1-O 3.13Å; F85-V116 PolarHBondContact N-O 2.68Å; F85-A117 HydrophobicContact CD1-CB 4.47Å; F85-A117 HydrophobicContact CE1-CB 3.6Å; F85-A117 HydrophobicContact CE2-CB 3.85Å; F85-A117 HydrophobicContact CZ-CB 3.24Å; F85-N118 WeakPolarHBondContact O-CB 3.37Å; F85-N118 PolarHBondContact O-N 3.3Å; F85-V140 HydrophobicContact CE2-CB 4Å; F85-V140 HydrophobicContact CE2-CG1 3.69Å; F85-V140 HydrophobicContact CE2-CG2 4.1Å; F85-V140 HydrophobicContact CZ-CG1 4.09Å; F85-Y157 AromaticContact CE1-CE2 3.96Å; F85-Y157 HydrophobicContact CE1-CE2 3.96Å; F85-Y157 HydrophobicContact CZ-CE2 4.16Å |
| 86 | S | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.4 | 174.8 | 66.9 | 0 | 0 | 0 | 0 | 113 | C17 D88 N89 S92 N118 K119 | C17-S86 WeakPolarHBondContact O-CB 3.28Å; S86-D88 WeakPolarHBondContact CB-OD1 3.34Å; S86-D88 PolarHBondContact O-N 3.02Å; S86-D88 PolarHBondContact OG-OD1 3.49Å; S86-N89 CarbonylContact O-C 3.19Å; S86-N89 PolarHBondContact O-N 2.94Å; S86-N89 VanDerWaalsContact O-O 3.14Å; S86-N89 WeakPolarHBondContact OG-CB 3.32Å; S86-S92 PolarHBondContact N-OG 3.26Å; S86-S92 PolarHBondContact O-OG 2.84Å; S86-N118 WeakPolarHBondContact CA-O 3.47Å; S86-K119 PolarHBondContact OG-NZ 3.42Å |
| 87 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.6 | -176.3 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | N89 A117 N118 R123 P139 V140 | V87-N89 VanDerWaalsContact C-N 3.3Å; V87-A117 HydrophobicContact CG2-CB 3.95Å; V87-N118 WeakPolarHBondContact CG2-O 3.1Å; V87-N118 PolarHBondContact N-O 2.96Å; V87-R123 HydrophobicContact CG1-CB 3.79Å; V87-R123 HydrophobicContact CG1-CG 4.27Å; V87-R123 VanDerWaalsContact CG2-NH2 3.34Å; V87-P139 HydrophobicContact CG1-CB 4.11Å; V87-P139 CarbonylContact O-C 3.52Å; V87-P139 VanDerWaalsContact O-CA 3.29Å; V87-P139 WeakPolarHBondContact O-CA 3.48Å; V87-V140 PolarHBondContact O-N 2.78Å |
| 88 | D | 98.7 | Very high | 98.7 | Very high | 37 Ų | 37 | 25 Ų | 25 | 20% | 0.198 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2 | 176.2 | 68.5 | -25.7 | 0 | 0 | 0 | 114.2 | S86 K119 L122 T128 | S86-D88 WeakPolarHBondContact CB-OD1 3.34Å; S86-D88 PolarHBondContact O-N 3.02Å; S86-D88 PolarHBondContact OG-OD1 3.49Å; D88-K119 VanDerWaalsContact CG-NZ 3.34Å; D88-K119 WeakPolarHBondContact OD1-CD 3.44Å; D88-K119 IonicContact OD1-NZ 2.84Å; D88-K119 PolarHBondContact OD1-NZ 2.93Å; D88-K119 WeakPolarHBondContact OD2-CD 3.34Å; D88-K119 IonicContact OD2-NZ 3.15Å; D88-K119 PolarHBondContact OD2-NZ 3.49Å; D88-L122 HydrophobicContact CB-CB 4.09Å; D88-L122 HydrophobicContact CB-CD1 3.73Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.4Å; D88-T128 HydrophobicContact CB-CG2 3.66Å |
| 89 | N | 98.7 | Very high | 98.7 | Very high | 47 Ų | 47 | 26.6 Ų | 26.6 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | trans | -134.2 | 90.7 | -178.8 | -177.5 | -3.3 | 0 | 0 | 0 | 110.6 | S86 V87 D91 S92 | S86-N89 CarbonylContact O-C 3.19Å; S86-N89 PolarHBondContact O-N 2.94Å; S86-N89 VanDerWaalsContact O-O 3.14Å; S86-N89 WeakPolarHBondContact OG-CB 3.32Å; V87-N89 VanDerWaalsContact C-N 3.3Å; N89-D91 VanDerWaalsContact C-N 3.27Å; N89-D91 PolarHBondContact O-N 3.05Å; N89-D91 PolarHBondContact OD1-N 2.9Å; N89-S92 WeakPolarHBondContact O-CB 3.46Å; N89-S92 PolarHBondContact O-N 3.02Å; N89-S92 VanDerWaalsContact O-N 3.08Å; N89-S92 PolarHBondContact O-OG 2.81Å; N89-S92 PolarHBondContact OD1-N 2.86Å | ||
| 90 | P | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 13% | 0.13 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -36 | 178.9 | -29.1 | 39.8 | 0 | 0 | 0 | 114.2 | S92 L93 D94 L132 Q137 K138 V140 | P90-S92 PolarHBondContact O-N 2.87Å; P90-L93 WeakPolarHBondContact O-CB 3.26Å; P90-L93 PolarHBondContact O-N 2.67Å; P90-D94 PolarHBondContact O-N 2.89Å; P90-L132 HydrophobicContact CG-CD2 4.27Å; P90-Q137 HydrophobicContact CG-CB 4.23Å; P90-K138 WeakPolarHBondContact CG-O 2.91Å; P90-V140 HydrophobicContact CB-CG2 4.33Å; P90-V140 HydrophobicContact CG-CG2 4.35Å |
| 91 | D | 98.6 | Very high | 98.8 | Very high | 78 Ų | 78 | 26.1 Ų | 26.1 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.5 | -33.3 | 178.6 | -57.1 | -28.3 | 0 | 0 | 0 | 111 | N89 L93 D94 N95 Q137 | N89-D91 VanDerWaalsContact C-N 3.27Å; N89-D91 PolarHBondContact O-N 3.05Å; N89-D91 PolarHBondContact OD1-N 2.9Å; D91-L93 PolarHBondContact O-N 2.81Å; D91-D94 PolarHBondContact O-N 3.33Å; D91-D94 VanDerWaalsContact O-N 3.16Å; D91-N95 WeakPolarHBondContact O-CB 3.45Å; D91-N95 PolarHBondContact O-N 3.18Å; D91-N95 PolarHBondContact O-ND2 3.47Å; D91-Q137 PolarHBondContact OD1-NE2 2.69Å |
| 92 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -24.6 | 175.7 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | D14 F85 S86 N89 P90 I96 | D14-S92 VanDerWaalsContact OD2-CA 3.25Å; D14-S92 WeakPolarHBondContact OD2-CA 3.47Å; D14-S92 WeakPolarHBondContact OD2-CB 3.45Å; F85-S92 VanDerWaalsContact CB-O 3.31Å; F85-S92 WeakPolarHBondContact CB-O 3.31Å; F85-S92 WeakPolarHBondContact CB-OG 3.46Å; S86-S92 PolarHBondContact N-OG 3.26Å; S86-S92 PolarHBondContact O-OG 2.84Å; N89-S92 WeakPolarHBondContact O-CB 3.46Å; N89-S92 PolarHBondContact O-N 3.02Å; N89-S92 VanDerWaalsContact O-N 3.08Å; N89-S92 PolarHBondContact O-OG 2.81Å; N89-S92 PolarHBondContact OD1-N 2.86Å; P90-S92 PolarHBondContact O-N 2.87Å; S92-I96 WeakPolarHBondContact O-CG1 3.31Å |
| 93 | L | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.8 | -43 | 170.3 | -179.8 | 67.5 | 0 | 0 | 0 | 110.9 | F85 P90 D91 N95 I96 V140 E144 V148 | F85-L93 HydrophobicContact CD1-CD1 3.81Å; F85-L93 HydrophobicContact CD2-CB 3.87Å; F85-L93 HydrophobicContact CD2-CD1 4.07Å; F85-L93 HydrophobicContact CE1-CD1 3.68Å; F85-L93 HydrophobicContact CE2-CB 4.24Å; F85-L93 HydrophobicContact CE2-CD1 3.99Å; F85-L93 HydrophobicContact CG-CB 4.22Å; F85-L93 HydrophobicContact CG-CD1 3.98Å; F85-L93 HydrophobicContact CZ-CD1 3.76Å; P90-L93 WeakPolarHBondContact O-CB 3.26Å; P90-L93 PolarHBondContact O-N 2.67Å; D91-L93 PolarHBondContact O-N 2.81Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 PolarHBondContact O-N 3.46Å; L93-I96 HydrophobicContact CD1-CG1 4.31Å; L93-I96 WeakPolarHBondContact O-CB 3.4Å; L93-I96 VanDerWaalsContact O-CG1 3.28Å; L93-I96 WeakPolarHBondContact O-CG1 3.49Å; L93-I96 PolarHBondContact O-N 3.43Å; L93-I96 VanDerWaalsContact O-N 3.08Å; L93-V140 HydrophobicContact CB-CG2 4.23Å; L93-V140 HydrophobicContact CD2-CG1 3.71Å; L93-V140 HydrophobicContact CD2-CG2 4.26Å; L93-E144 HydrophobicContact CD2-CB 4.22Å; L93-V148 HydrophobicContact CD1-CB 3.87Å; L93-V148 HydrophobicContact CD1-CG1 3.93Å; L93-V148 HydrophobicContact CD1-CG2 3.86Å; L93-V148 HydrophobicContact CD2-CG2 4Å; L93-V148 HydrophobicContact CG-CB 4.5Å; L93-V148 HydrophobicContact CG-CG2 3.93Å |
| 94 | D | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 30.5 Ų | 30.5 | 52% | 0.524 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.8 | -70.4 | -19.6 | 0 | 0 | 0 | 110.8 | P90 D91 I96 S97 T98 | P90-D94 PolarHBondContact O-N 2.89Å; D91-D94 PolarHBondContact O-N 3.33Å; D91-D94 VanDerWaalsContact O-N 3.16Å; D94-I96 PolarHBondContact O-N 2.87Å; D94-I96 VanDerWaalsContact O-N 3.11Å; D94-S97 PolarHBondContact O-N 3.09Å; D94-S97 VanDerWaalsContact O-N 3.08Å; D94-T98 PolarHBondContact O-N 3.35Å; D94-T98 PolarHBondContact O-OG1 3.08Å |
| 95 | N | 98.9 | Very high | 98.7 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -20.5 | 175.7 | -72.1 | -20.7 | 0 | 0 | 0 | 113.9 | D14 D91 L93 S97 T98 K99 W100 | D14-N95 PolarHBondContact OD2-ND2 3.32Å; D91-N95 WeakPolarHBondContact O-CB 3.45Å; D91-N95 PolarHBondContact O-N 3.18Å; D91-N95 PolarHBondContact O-ND2 3.47Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 PolarHBondContact O-N 3.46Å; N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 3.46Å; N95-T98 WeakPolarHBondContact CA-OG1 3.39Å; N95-K99 WeakPolarHBondContact O-CA 3.45Å; N95-K99 WeakPolarHBondContact O-CB 3.18Å; N95-K99 PolarHBondContact O-N 3.45Å; N95-W100 VanDerWaalsContact O-CD1 3.29Å; N95-W100 PolarHBondContact O-N 2.95Å |
| 96 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -57.4 | -48.4 | 172.8 | -62.6 | -54 | 0 | 0 | 0 | 110.4 | L83 F85 S92 L93 D94 M101 L115 V148 I152 | L83-I96 HydrophobicContact CD1-CD1 3.71Å; L83-I96 HydrophobicContact CD2-CD1 4.02Å; L83-I96 HydrophobicContact CD2-CG2 3.8Å; L83-I96 HydrophobicContact CG-CD1 3.68Å; F85-I96 HydrophobicContact CB-CD1 4.11Å; F85-I96 HydrophobicContact CB-CG1 4.18Å; F85-I96 HydrophobicContact CD1-CG1 4.45Å; S92-I96 WeakPolarHBondContact O-CG1 3.31Å; L93-I96 HydrophobicContact CD1-CG1 4.31Å; L93-I96 WeakPolarHBondContact O-CB 3.4Å; L93-I96 VanDerWaalsContact O-CG1 3.28Å; L93-I96 WeakPolarHBondContact O-CG1 3.49Å; L93-I96 PolarHBondContact O-N 3.43Å; L93-I96 VanDerWaalsContact O-N 3.08Å; D94-I96 PolarHBondContact O-N 2.87Å; D94-I96 VanDerWaalsContact O-N 3.11Å; I96-M101 WeakPolarHBondContact O-CB 3.36Å; I96-M101 PolarHBondContact O-N 3.36Å; I96-L115 HydrophobicContact CD1-CD1 3.92Å; I96-L115 HydrophobicContact CG1-CD1 3.99Å; I96-L115 HydrophobicContact CG2-CD1 3.96Å; I96-V148 HydrophobicContact CB-CG1 4.09Å; I96-V148 HydrophobicContact CG2-CG1 3.71Å; I96-I152 HydrophobicContact CG2-CD1 3.65Å; I96-I152 HydrophobicContact CG2-CG2 4.15Å |
| 97 | S | 98.5 | Very high | 98.6 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -84.8 | -34.3 | -175.3 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | D94 N95 P102 | D94-S97 PolarHBondContact O-N 3.09Å; D94-S97 VanDerWaalsContact O-N 3.08Å; N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 3.46Å; S97-P102 VanDerWaalsContact O-CD 3.31Å; S97-P102 WeakPolarHBondContact O-CD 3.47Å; S97-P102 WeakPolarHBondContact O-CG 3.35Å |
| 98 | T | 98.3 | Very high | 98.5 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 61% | 0.613 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -85.7 | -26.9 | -173.7 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | D94 N95 | D94-T98 PolarHBondContact O-N 3.35Å; D94-T98 PolarHBondContact O-OG1 3.08Å; N95-T98 WeakPolarHBondContact CA-OG1 3.39Å |
| 99 | K | 98.5 | Very high | 98.4 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -126.6 | -63 | -173.5 | 176.1 | -179.1 | -178.9 | 171.2 | 0 | 113.2 | E65 N95 P102 E103 | E65-K99 IonicContact OE1-NZ 2.81Å; E65-K99 PolarHBondContact OE1-NZ 2.88Å; N95-K99 WeakPolarHBondContact O-CA 3.45Å; N95-K99 WeakPolarHBondContact O-CB 3.18Å; N95-K99 PolarHBondContact O-N 3.45Å; K99-P102 WeakPolarHBondContact O-CD 3.3Å; K99-E103 PolarHBondContact O-N 3.03Å; K99-E103 VanDerWaalsContact O-N 3.09Å |
| 100 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -69.1 | -43.8 | -166.5 | -68.7 | 106.2 | 0 | 0 | 0 | 113.1 | V12 G13 D14 R71 L83 N95 E103 I104 | V12-W100 HydrophobicContact CB-CE3 3.99Å; V12-W100 HydrophobicContact CB-CZ3 4.01Å; G13-W100 WeakPolarHBondContact O-CH2 3.27Å; G13-W100 WeakPolarHBondContact O-CZ2 3.48Å; D14-W100 PolarHBondContact OD1-NE1 2.83Å; R71-W100 VanDerWaalsContact CZ-CH2 3.49Å; L83-W100 HydrophobicContact CD1-CB 3.53Å; L83-W100 HydrophobicContact CD1-CD2 4.43Å; L83-W100 HydrophobicContact CD1-CG 3.87Å; L83-W100 HydrophobicContact CD2-CB 4.3Å; N95-W100 VanDerWaalsContact O-CD1 3.29Å; N95-W100 PolarHBondContact O-N 2.95Å; W100-E103 PolarHBondContact O-N 2.87Å; W100-I104 WeakPolarHBondContact O-CB 3.46Å; W100-I104 WeakPolarHBondContact O-CD1 3.48Å; W100-I104 VanDerWaalsContact O-CG1 3.22Å; W100-I104 WeakPolarHBondContact O-CG1 3.13Å; W100-I104 PolarHBondContact O-N 3.49Å |
| 101 | M | 98.7 | Very high | 98.2 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 179.7 | -164.5 | 70.2 | -174.6 | 0 | 0 | 112.6 | L83 I96 E103 I104 R105 V113 I152 | L83-M101 HydrophobicContact CD2-SD 4.42Å; I96-M101 WeakPolarHBondContact O-CB 3.36Å; I96-M101 PolarHBondContact O-N 3.36Å; M101-E103 VanDerWaalsContact C-N 3.35Å; M101-E103 PolarHBondContact O-N 2.95Å; M101-I104 PolarHBondContact O-N 2.56Å; M101-R105 HydrophobicContact CE-CG 3.84Å; M101-R105 HydrophobicContact CG-CG 4.44Å; M101-R105 WeakPolarHBondContact O-CB 3.47Å; M101-R105 WeakPolarHBondContact O-CG 3.4Å; M101-R105 PolarHBondContact O-N 2.82Å; M101-V113 HydrophobicContact CE-CG2 4.28Å; M101-V113 HydrophobicContact SD-CG2 4.42Å; M101-I152 HydrophobicContact CB-CG2 4.32Å; M101-I152 HydrophobicContact CE-CB 4.14Å; M101-I152 WeakPolarHBondContact CE-O 3.43Å; M101-I152 HydrophobicContact CG-CB 3.95Å; M101-I152 HydrophobicContact CG-CG2 4.1Å; M101-I152 HydrophobicContact SD-CB 3.96Å; M101-I152 HydrophobicContact SD-CD1 4.12Å; M101-I152 HydrophobicContact SD-CG1 4.38Å |
| 102 | P | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53 | -47.2 | 168.5 | -29.9 | 35.7 | 0 | 0 | 0 | 113.6 | S97 K99 R105 N106 | S97-P102 VanDerWaalsContact O-CD 3.31Å; S97-P102 WeakPolarHBondContact O-CD 3.47Å; S97-P102 WeakPolarHBondContact O-CG 3.35Å; K99-P102 WeakPolarHBondContact O-CD 3.3Å; P102-R105 PolarHBondContact O-N 3.17Å; P102-N106 WeakPolarHBondContact O-CB 3.26Å; P102-N106 PolarHBondContact O-N 3.13Å |
| 103 | E | 98.5 | Very high | 98.2 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 177.6 | -173.8 | -175.5 | 134 | 0 | 0 | 111.5 | R71 Y75 K99 W100 M101 R105 N106 F107 | R71-E103 WeakPolarHBondContact CD-OE1 3.28Å; R71-E103 IonicContact NH1-OE1 3.43Å; R71-E103 PolarHBondContact NH1-OE1 3.23Å; R71-E103 IonicContact NH1-OE2 2.71Å; R71-E103 PolarHBondContact NH1-OE2 3.36Å; Y75-E103 HydrophobicContact CE2-CG 4.32Å; Y75-E103 PolarHBondContact OH-OE1 3.05Å; K99-E103 PolarHBondContact O-N 3.03Å; K99-E103 VanDerWaalsContact O-N 3.09Å; W100-E103 PolarHBondContact O-N 2.87Å; M101-E103 VanDerWaalsContact C-N 3.35Å; M101-E103 PolarHBondContact O-N 2.95Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.46Å; E103-N106 WeakPolarHBondContact O-CB 3.41Å; E103-N106 PolarHBondContact O-N 3.17Å; E103-F107 HydrophobicContact CG-CD2 4.04Å; E103-F107 HydrophobicContact CG-CE2 4.04Å; E103-F107 VanDerWaalsContact O-CD2 3.3Å; E103-F107 WeakPolarHBondContact O-CD2 3.41Å; E103-F107 PolarHBondContact O-N 2.88Å |
| 104 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 178.3 | -70.3 | 159.7 | 0 | 0 | 0 | 110.2 | V12 V81 L83 W100 M101 N106 F107 L108 V113 | V12-I104 HydrophobicContact CG2-CD1 3.85Å; V12-I104 HydrophobicContact CG2-CG1 4.27Å; V81-I104 HydrophobicContact CG1-CD1 3.84Å; V81-I104 HydrophobicContact CG1-CG1 4.28Å; V81-I104 HydrophobicContact CG2-CG2 4.27Å; L83-I104 HydrophobicContact CB-CD1 4.34Å; L83-I104 HydrophobicContact CD1-CD1 4.08Å; L83-I104 HydrophobicContact CD2-CD1 3.81Å; L83-I104 HydrophobicContact CG-CD1 4.3Å; W100-I104 WeakPolarHBondContact O-CB 3.46Å; W100-I104 WeakPolarHBondContact O-CD1 3.48Å; W100-I104 VanDerWaalsContact O-CG1 3.22Å; W100-I104 WeakPolarHBondContact O-CG1 3.13Å; W100-I104 PolarHBondContact O-N 3.49Å; M101-I104 PolarHBondContact O-N 2.56Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.28Å; I104-F107 PolarHBondContact O-N 3.43Å; I104-L108 HydrophobicContact CG2-CB 4.3Å; I104-L108 CarbonylContact O-C 3.57Å; I104-L108 WeakPolarHBondContact O-CA 3.29Å; I104-L108 VanDerWaalsContact O-CB 3.23Å; I104-L108 WeakPolarHBondContact O-CB 3.46Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-V113 HydrophobicContact CG2-CG2 3.98Å |
| 105 | R | 98.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.5 | -26.8 | -177.7 | -70.7 | -69.5 | 176.8 | -110.2 | -1.1 | 113.2 | M101 P102 E103 L108 P109 I111 | M101-R105 HydrophobicContact CE-CG 3.84Å; M101-R105 HydrophobicContact CG-CG 4.44Å; M101-R105 WeakPolarHBondContact O-CB 3.47Å; M101-R105 WeakPolarHBondContact O-CG 3.4Å; M101-R105 PolarHBondContact O-N 2.82Å; P102-R105 PolarHBondContact O-N 3.17Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.46Å; R105-L108 PolarHBondContact NH1-O 2.67Å; R105-P109 WeakPolarHBondContact CD-O 3.25Å; R105-P109 WeakPolarHBondContact O-CA 3.37Å; R105-I111 PolarHBondContact NH1-O 3.23Å |
| 106 | N | 98.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 40.3 Ų | 40.3 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64 | -45.5 | 172.2 | -177.7 | 65.1 | 0 | 0 | 0 | 112.1 | P102 E103 I104 | P102-N106 WeakPolarHBondContact O-CB 3.26Å; P102-N106 PolarHBondContact O-N 3.13Å; E103-N106 WeakPolarHBondContact O-CB 3.41Å; E103-N106 PolarHBondContact O-N 3.17Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.28Å |
| 107 | F | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 40.3 Ų | 40.3 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -93.7 | -29.7 | -177 | -66.3 | -76.7 | 0 | 0 | 0 | 114.2 | P72 Y75 E103 I104 | P72-F107 HydrophobicContact CB-CD1 4.02Å; P72-F107 HydrophobicContact CB-CD2 4.17Å; P72-F107 HydrophobicContact CB-CE1 3.7Å; P72-F107 HydrophobicContact CB-CE2 3.88Å; P72-F107 HydrophobicContact CB-CG 4.25Å; P72-F107 HydrophobicContact CB-CZ 3.63Å; P72-F107 HydrophobicContact CG-CD2 4.23Å; P72-F107 HydrophobicContact CG-CE1 4.19Å; P72-F107 HydrophobicContact CG-CE2 3.6Å; P72-F107 HydrophobicContact CG-CZ 3.58Å; Y75-F107 HydrophobicContact CD2-CB 3.51Å; Y75-F107 AromaticContact CD2-CD2 3.85Å; Y75-F107 HydrophobicContact CD2-CD2 3.85Å; Y75-F107 AromaticContact CD2-CG 3.73Å; Y75-F107 HydrophobicContact CD2-CG 3.73Å; Y75-F107 HydrophobicContact CE2-CB 4.21Å; Y75-F107 AromaticContact CE2-CD2 3.81Å; Y75-F107 HydrophobicContact CE2-CD2 3.81Å; Y75-F107 HydrophobicContact CE2-CG 4.19Å; Y75-F107 HydrophobicContact CG-CB 4.42Å; E103-F107 HydrophobicContact CG-CD2 4.04Å; E103-F107 HydrophobicContact CG-CE2 4.04Å; E103-F107 VanDerWaalsContact O-CD2 3.3Å; E103-F107 WeakPolarHBondContact O-CD2 3.41Å; E103-F107 PolarHBondContact O-N 2.88Å; I104-F107 PolarHBondContact O-N 3.43Å |
| 108 | L | 97.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | trans | -131.9 | 60.4 | -169.8 | -58.2 | 177.4 | 0 | 0 | 0 | 110.9 | Y75 T78 V81 I104 R105 N110 I111 | Y75-L108 HydrophobicContact CD1-CD1 4.22Å; Y75-L108 HydrophobicContact CG-CD1 4.05Å; Y75-L108 HydrophobicContact CG-CG 4.34Å; Y75-L108 WeakPolarHBondContact O-CD2 3.25Å; T78-L108 HydrophobicContact CG2-CD1 4.16Å; V81-L108 HydrophobicContact CG2-CD1 3.63Å; I104-L108 HydrophobicContact CG2-CB 4.3Å; I104-L108 CarbonylContact O-C 3.57Å; I104-L108 WeakPolarHBondContact O-CA 3.29Å; I104-L108 VanDerWaalsContact O-CB 3.23Å; I104-L108 WeakPolarHBondContact O-CB 3.46Å; I104-L108 PolarHBondContact O-N 3.11Å; R105-L108 PolarHBondContact NH1-O 2.67Å; L108-N110 VanDerWaalsContact C-N 3.25Å; L108-N110 PolarHBondContact O-N 3.02Å; L108-N110 VanDerWaalsContact O-N 3.07Å; L108-I111 HydrophobicContact CB-CB 3.88Å; L108-I111 HydrophobicContact CB-CG1 3.7Å; L108-I111 HydrophobicContact CD2-CG1 3.94Å; L108-I111 HydrophobicContact CG-CG1 4.29Å; L108-I111 PolarHBondContact O-N 2.79Å | ||
| 109 | P | 96.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.8 | -166.7 | 20.3 | -33.7 | 0 | 0 | 0 | 114.5 | R105 | R105-P109 WeakPolarHBondContact CD-O 3.25Å; R105-P109 WeakPolarHBondContact O-CA 3.37Å |
| 110 | N | 95.1 | Very high | 98.3 | Very high | 133 Ų | 133 | 36.6 Ų | 36.6 | 71% | 0.711 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 3.5 | -175.4 | -60.7 | -52.2 | 0 | 0 | 0 | 113.8 | L108 F182 | L108-N110 VanDerWaalsContact C-N 3.25Å; L108-N110 PolarHBondContact O-N 3.02Å; L108-N110 VanDerWaalsContact O-N 3.07Å; N110-F182 WeakPolarHBondContact O-CE2 3.39Å; N110-F182 VanDerWaalsContact O-CZ 3.25Å; N110-F182 WeakPolarHBondContact O-CZ 3.4Å |
| 111 | I | 98.1 | Very high | 98.3 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -75.4 | 132.3 | -177.3 | -62 | -51.3 | 0 | 0 | 0 | 109.2 | T78 V81 R105 L108 F182 | T78-I111 HydrophobicContact CG2-CG2 4.01Å; T78-I111 WeakPolarHBondContact O-CD1 3.44Å; V81-I111 HydrophobicContact CG2-CG2 3.99Å; R105-I111 PolarHBondContact NH1-O 3.23Å; L108-I111 HydrophobicContact CB-CB 3.88Å; L108-I111 HydrophobicContact CB-CG1 3.7Å; L108-I111 HydrophobicContact CD2-CG1 3.94Å; L108-I111 HydrophobicContact CG-CG1 4.29Å; L108-I111 PolarHBondContact O-N 2.79Å; I111-F182 HydrophobicContact CD1-CE1 3.55Å; I111-F182 HydrophobicContact CD1-CZ 3.91Å | ||
| 112 | P | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | trans | -63.9 | 144.9 | 177.2 | 26.3 | -34.2 | 0 | 0 | 0 | 110.6 | N79 V80 V81 Q155 I178 F182 | N79-P112 WeakPolarHBondContact O-CD 3.24Å; N79-P112 WeakPolarHBondContact O-CG 3.19Å; V80-P112 WeakPolarHBondContact CA-O 3.4Å; V80-P112 HydrophobicContact CB-CG 4.14Å; V80-P112 HydrophobicContact CG2-CB 4.32Å; V80-P112 HydrophobicContact CG2-CG 4.07Å; V80-P112 WeakPolarHBondContact CG2-O 3.45Å; V81-P112 PolarHBondContact N-O 3.2Å; P112-Q155 HydrophobicContact CB-CG 4.14Å; P112-I178 HydrophobicContact CB-CG2 3.54Å; P112-I178 HydrophobicContact CG-CG2 3.56Å; P112-F182 HydrophobicContact CG-CB 4.26Å; P112-F182 HydrophobicContact CG-CD1 4.42Å; P112-F182 HydrophobicContact CG-CD2 4Å; P112-F182 HydrophobicContact CG-CE2 4.46Å; P112-F182 HydrophobicContact CG-CG 3.98Å | ||
| 113 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.9 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | V81 L83 M101 I104 A154 Q155 | V81-V113 HydrophobicContact CB-CG2 4.22Å; V81-V113 WeakPolarHBondContact O-CA 3.19Å; L83-V113 HydrophobicContact CB-CG1 3.69Å; L83-V113 HydrophobicContact CD2-CG1 4.15Å; M101-V113 HydrophobicContact CE-CG2 4.28Å; M101-V113 HydrophobicContact SD-CG2 4.42Å; I104-V113 HydrophobicContact CG2-CG2 3.98Å; V113-A154 CarbonylContact O-C 3.58Å; V113-A154 WeakPolarHBondContact O-CA 3.43Å; V113-Q155 PolarHBondContact O-N 2.78Å |
| 114 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.5 | 160.9 | 66 | 167 | 0 | 0 | 0 | 108.6 | V81 V82 L83 V116 A156 V171 A175 I178 | V81-I114 PolarHBondContact O-N 2.82Å; V82-I114 HydrophobicContact CB-CG1 4.27Å; V82-I114 HydrophobicContact CG1-CD1 4.18Å; V82-I114 HydrophobicContact CG1-CG1 4.18Å; V82-I114 HydrophobicContact CG2-CD1 4.02Å; V82-I114 HydrophobicContact CG2-CG1 4.07Å; L83-I114 PolarHBondContact N-O 3.17Å; I114-V116 HydrophobicContact CD1-CG2 4.08Å; I114-V116 HydrophobicContact CG1-CG2 4.26Å; I114-A156 HydrophobicContact CB-CB 4.27Å; I114-A156 HydrophobicContact CG2-CB 3.85Å; I114-V171 HydrophobicContact CD1-CG1 3.98Å; I114-A175 HydrophobicContact CD1-CB 3.8Å; I114-I178 HydrophobicContact CG2-CD1 3.4Å; I114-I178 VanDerWaalsContact CG2-CD1 3.4Å |
| 115 | L | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.2 | 174.5 | -174.3 | 65.9 | 0 | 0 | 0 | 109.3 | L83 F85 I96 V148 A149 I152 A154 A156 Y157 I158 | L83-L115 HydrophobicContact CB-CD1 4.4Å; L83-L115 HydrophobicContact CD2-CD1 4.26Å; L83-L115 HydrophobicContact CG-CD1 3.99Å; L83-L115 CarbonylContact O-C 3.58Å; L83-L115 WeakPolarHBondContact O-CA 3.3Å; F85-L115 HydrophobicContact CD1-CD1 3.95Å; F85-L115 HydrophobicContact CD1-CD2 4.48Å; F85-L115 HydrophobicContact CD1-CG 4.18Å; F85-L115 HydrophobicContact CE1-CD1 4.32Å; F85-L115 HydrophobicContact CE1-CD2 4.11Å; F85-L115 HydrophobicContact CE1-CG 4.04Å; I96-L115 HydrophobicContact CD1-CD1 3.92Å; I96-L115 HydrophobicContact CG1-CD1 3.99Å; I96-L115 HydrophobicContact CG2-CD1 3.96Å; L115-V148 HydrophobicContact CD2-CB 4.31Å; L115-V148 HydrophobicContact CD2-CG1 4.02Å; L115-A149 HydrophobicContact CB-CB 4.14Å; L115-A149 HydrophobicContact CD2-CB 3.81Å; L115-I152 HydrophobicContact CB-CD1 4.46Å; L115-I152 HydrophobicContact CD1-CD1 4.35Å; L115-I152 HydrophobicContact CD2-CD1 4.39Å; L115-A154 HydrophobicContact CB-CB 4.12Å; L115-A156 PolarHBondContact N-O 3.33Å; L115-Y157 HydrophobicContact CB-CD2 4.21Å; L115-Y157 HydrophobicContact CD2-CD2 4.08Å; L115-Y157 HydrophobicContact CD2-CE2 4.34Å; L115-Y157 HydrophobicContact CG-CD2 4.16Å; L115-Y157 HydrophobicContact CG-CE2 4.49Å; L115-Y157 WeakPolarHBondContact O-CA 3.49Å; L115-I158 PolarHBondContact O-N 2.71Å |
| 116 | V | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.5 | -178 | -179 | 0 | 0 | 0 | 0 | 110.4 | L22 V82 L83 C84 F85 I114 I158 C160 V171 | L22-V116 HydrophobicContact CD2-CG1 4.25Å; V82-V116 HydrophobicContact CG1-CB 4.4Å; V82-V116 HydrophobicContact CG1-CG2 3.61Å; L83-V116 PolarHBondContact O-N 2.98Å; C84-V116 WeakPolarHBondContact CA-O 3.36Å; F85-V116 WeakPolarHBondContact CD1-O 3.13Å; F85-V116 PolarHBondContact N-O 2.68Å; I114-V116 HydrophobicContact CD1-CG2 4.08Å; I114-V116 HydrophobicContact CG1-CG2 4.26Å; V116-I158 CarbonylContact C-O 3.53Å; V116-I158 VanDerWaalsContact CA-O 3.29Å; V116-I158 WeakPolarHBondContact CA-O 3.43Å; V116-C160 VanDerWaalsContact CG1-SG 3.55Å; V116-V171 HydrophobicContact CG1-CG2 3.92Å; V116-V171 HydrophobicContact CG2-CG1 3.78Å; V116-V171 HydrophobicContact CG2-CG2 4.04Å |
| 117 | A | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 99.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F85 V87 Y157 I158 E159 C160 | F85-A117 HydrophobicContact CD1-CB 4.47Å; F85-A117 HydrophobicContact CE1-CB 3.6Å; F85-A117 HydrophobicContact CE2-CB 3.85Å; F85-A117 HydrophobicContact CZ-CB 3.24Å; V87-A117 HydrophobicContact CG2-CB 3.95Å; A117-Y157 HydrophobicContact CB-CE2 4.04Å; A117-Y157 WeakPolarHBondContact CB-OH 3.12Å; A117-I158 PolarHBondContact N-O 2.98Å; A117-E159 HydrophobicContact CB-CB 4.28Å; A117-E159 HydrophobicContact CB-CG 4Å; A117-E159 WeakPolarHBondContact O-CA 3.47Å; A117-C160 PolarHBondContact O-N 2.89Å |
| 118 | N | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 163.8 | 177 | -73.7 | -32.8 | 0 | 0 | 0 | 112 | C17 F85 S86 V87 K120 C160 | C17-N118 WeakPolarHBondContact O-CB 3.05Å; C17-N118 PolarHBondContact O-ND2 3Å; F85-N118 WeakPolarHBondContact O-CB 3.37Å; F85-N118 PolarHBondContact O-N 3.3Å; S86-N118 WeakPolarHBondContact CA-O 3.47Å; V87-N118 WeakPolarHBondContact CG2-O 3.1Å; V87-N118 PolarHBondContact N-O 2.96Å; N118-K120 VanDerWaalsContact C-N 3.29Å; N118-K120 PolarHBondContact O-N 3.22Å; N118-C160 CarbonylContact C-O 3.56Å; N118-C160 PolarHBondContact OD1-SG 3.08Å |
| 119 | K | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | trans | 59.1 | 37.8 | 175.4 | -43 | -173.6 | -154.5 | 155 | 0 | 113.1 | A16 S86 D88 D121 L122 C160 | A16-K119 VanDerWaalsContact O-CE 3.25Å; A16-K119 WeakPolarHBondContact O-CE 3.19Å; A16-K119 PolarHBondContact O-NZ 2.93Å; S86-K119 PolarHBondContact OG-NZ 3.42Å; D88-K119 VanDerWaalsContact CG-NZ 3.34Å; D88-K119 WeakPolarHBondContact OD1-CD 3.44Å; D88-K119 IonicContact OD1-NZ 2.84Å; D88-K119 PolarHBondContact OD1-NZ 2.93Å; D88-K119 WeakPolarHBondContact OD2-CD 3.34Å; D88-K119 IonicContact OD2-NZ 3.15Å; D88-K119 PolarHBondContact OD2-NZ 3.49Å; K119-D121 WeakPolarHBondContact CA-OD1 3.3Å; K119-D121 PolarHBondContact O-N 3.06Å; K119-D121 VanDerWaalsContact O-N 3.09Å; K119-L122 HydrophobicContact CB-CD1 3.91Å; K119-L122 HydrophobicContact CB-CG 4.18Å; K119-L122 HydrophobicContact CD-CD1 3.88Å; K119-L122 WeakPolarHBondContact O-CB 3.49Å; K119-L122 PolarHBondContact O-N 3.49Å; K119-C160 PolarHBondContact N-O 3.44Å | ||
| 120 | K | 98.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -49.5 | -34.8 | 176.7 | -174.8 | -169.6 | -179.9 | -173.6 | 0 | 113 | N118 L122 R123 E159 C160 E166 | N118-K120 VanDerWaalsContact C-N 3.29Å; N118-K120 PolarHBondContact O-N 3.22Å; K120-L122 PolarHBondContact O-N 3.26Å; K120-L122 VanDerWaalsContact O-N 3.17Å; K120-R123 WeakPolarHBondContact O-CB 3.41Å; K120-R123 PolarHBondContact O-N 2.68Å; K120-R123 VanDerWaalsContact O-N 3.08Å; K120-E159 HydrophobicContact CB-CB 4.4Å; K120-E159 HydrophobicContact CD-CB 3.85Å; K120-E159 WeakPolarHBondContact CE-OE2 3.05Å; K120-E159 HydrophobicContact CG-CB 4.15Å; K120-C160 WeakPolarHBondContact CB-O 3.29Å; K120-C160 PolarHBondContact N-O 3.34Å; K120-E166 IonicContact NZ-OE1 3.55Å; K120-E166 PolarHBondContact NZ-OE1 2.85Å |
| 121 | D | 98.5 | Very high | 98.6 | Very high | 42 Ų | 42 | 46 Ų | 46 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.2 | 178 | 57.8 | -65.6 | 0 | 0 | 0 | 113.3 | K119 R123 S161 Q164 | K119-D121 WeakPolarHBondContact CA-OD1 3.3Å; K119-D121 PolarHBondContact O-N 3.06Å; K119-D121 VanDerWaalsContact O-N 3.09Å; D121-R123 VanDerWaalsContact C-N 3.32Å; D121-R123 PolarHBondContact O-N 3.48Å; D121-S161 VanDerWaalsContact OD1-CB 3.25Å; D121-S161 WeakPolarHBondContact OD1-CB 3.4Å; D121-S161 PolarHBondContact OD1-OG 3.07Å; D121-Q164 HydrophobicContact CB-CG 3.79Å |
| 122 | L | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -80.9 | -8.1 | -179.8 | -59.1 | -177.1 | 0 | 0 | 0 | 113.9 | D88 K119 K120 N124 D125 T128 | D88-L122 HydrophobicContact CB-CB 4.09Å; D88-L122 HydrophobicContact CB-CD1 3.73Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.4Å; K119-L122 HydrophobicContact CB-CD1 3.91Å; K119-L122 HydrophobicContact CB-CG 4.18Å; K119-L122 HydrophobicContact CD-CD1 3.88Å; K119-L122 WeakPolarHBondContact O-CB 3.49Å; K119-L122 PolarHBondContact O-N 3.49Å; K120-L122 PolarHBondContact O-N 3.26Å; K120-L122 VanDerWaalsContact O-N 3.17Å; L122-N124 PolarHBondContact O-N 2.95Å; L122-D125 HydrophobicContact CD2-CB 4.08Å; L122-D125 PolarHBondContact O-N 3.27Å; L122-T128 HydrophobicContact CB-CG2 4.21Å |
| 123 | R | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.5 | -37.3 | 177.9 | -171.5 | 169.2 | -66.2 | 120.3 | 0.4 | 112.7 | V87 K120 D121 K129 P139 V140 E159 | V87-R123 HydrophobicContact CG1-CB 3.79Å; V87-R123 HydrophobicContact CG1-CG 4.27Å; V87-R123 VanDerWaalsContact CG2-NH2 3.34Å; K120-R123 WeakPolarHBondContact O-CB 3.41Å; K120-R123 PolarHBondContact O-N 2.68Å; K120-R123 VanDerWaalsContact O-N 3.08Å; D121-R123 VanDerWaalsContact C-N 3.32Å; D121-R123 PolarHBondContact O-N 3.48Å; R123-K129 WeakPolarHBondContact O-CE 3.35Å; R123-P139 HydrophobicContact CG-CB 4.32Å; R123-V140 PolarHBondContact NE-O 3.47Å; R123-V140 PolarHBondContact NH2-O 3.09Å; R123-E159 IonicContact CZ-OE1 2.83Å; R123-E159 IonicContact CZ-OE2 2.68Å; R123-E159 IonicContact NH1-OE1 2.71Å; R123-E159 IonicContact NH1-OE2 2.68Å; R123-E159 PolarHBondContact NH1-OE2 3.4Å; R123-E159 IonicContact NH2-OE1 3.23Å; R123-E159 PolarHBondContact NH2-OE1 2.96Å; R123-E159 IonicContact NH2-OE2 3.56Å; R123-E159 PolarHBondContact NH2-OE2 3.24Å; R123-E159 VanDerWaalsContact NH2-OE2 3.17Å |
| 124 | N | 97.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 62 Ų | 62 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -107.4 | 1.1 | -177.5 | -71.6 | -40 | 0 | 0 | 0 | 113.5 | L122 Q126 K129 | L122-N124 PolarHBondContact O-N 2.95Å; N124-Q126 PolarHBondContact O-N 3.44Å; N124-K129 PolarHBondContact OD1-NZ 3.28Å |
| 125 | D | 98.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | trans | -66.7 | 129.7 | 176.3 | -177.5 | 71.7 | 0 | 0 | 0 | 110.9 | L122 T127 T128 K129 | L122-D125 HydrophobicContact CD2-CB 4.08Å; L122-D125 PolarHBondContact O-N 3.27Å; D125-T127 VanDerWaalsContact C-N 3.35Å; D125-T127 WeakPolarHBondContact OD2-CA 3.31Å; D125-T127 VanDerWaalsContact OD2-CB 3.22Å; D125-T127 WeakPolarHBondContact OD2-CB 3.11Å; D125-T127 PolarHBondContact OD2-N 2.8Å; D125-T128 PolarHBondContact OD2-N 3.21Å; D125-T128 PolarHBondContact OD2-OG1 3.24Å; D125-K129 WeakPolarHBondContact O-CB 3.21Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.27Å; D125-K129 PolarHBondContact O-N 2.73Å | ||
| 126 | Q | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 77.3 Ų | 77.3 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.3 | -30.5 | -174.6 | -64.9 | -62.7 | -25.8 | 0 | 0 | 112.1 | N124 R130 | N124-Q126 PolarHBondContact O-N 3.44Å; Q126-R130 WeakPolarHBondContact O-CB 3.21Å; Q126-R130 WeakPolarHBondContact O-CD 3.19Å; Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-N 3.26Å; Q126-R130 VanDerWaalsContact O-N 3.09Å |
| 127 | T | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 79.9 Ų | 79.9 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.4 | -50.6 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | D125 K129 R130 E131 | D125-T127 VanDerWaalsContact C-N 3.35Å; D125-T127 WeakPolarHBondContact OD2-CA 3.31Å; D125-T127 VanDerWaalsContact OD2-CB 3.22Å; D125-T127 WeakPolarHBondContact OD2-CB 3.11Å; D125-T127 PolarHBondContact OD2-N 2.8Å; T127-K129 VanDerWaalsContact C-N 3.32Å; T127-K129 PolarHBondContact O-N 3.11Å; T127-R130 PolarHBondContact O-N 3.11Å; T127-R130 VanDerWaalsContact O-N 3.1Å; T127-E131 WeakPolarHBondContact O-CG 3.33Å; T127-E131 PolarHBondContact O-N 3.08Å |
| 128 | T | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 85.4 Ų | 85.4 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.7 | -45.3 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | D88 L122 D125 R130 E131 L132 P139 | D88-T128 HydrophobicContact CB-CG2 3.66Å; L122-T128 HydrophobicContact CB-CG2 4.21Å; D125-T128 PolarHBondContact OD2-N 3.21Å; D125-T128 PolarHBondContact OD2-OG1 3.24Å; T128-R130 PolarHBondContact O-N 2.92Å; T128-E131 PolarHBondContact O-N 2.88Å; T128-L132 HydrophobicContact CG2-CD1 3.83Å; T128-L132 HydrophobicContact CG2-CG 4.48Å; T128-L132 WeakPolarHBondContact O-CB 3.35Å; T128-L132 WeakPolarHBondContact O-CG 3.2Å; T128-L132 PolarHBondContact O-N 2.9Å; T128-P139 HydrophobicContact CG2-CG 4.43Å |
| 129 | K | 98.7 | Very high | 98.3 | Very high | 69 Ų | 69 | 85.9 Ų | 85.9 | 30% | 0.3 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.5 | -78.5 | 178.6 | -178.4 | 176.5 | 0 | 112.6 | R123 N124 D125 T127 Q133 P139 | R123-K129 WeakPolarHBondContact O-CE 3.35Å; N124-K129 PolarHBondContact OD1-NZ 3.28Å; D125-K129 WeakPolarHBondContact O-CB 3.21Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.27Å; D125-K129 PolarHBondContact O-N 2.73Å; T127-K129 VanDerWaalsContact C-N 3.32Å; T127-K129 PolarHBondContact O-N 3.11Å; K129-Q133 VanDerWaalsContact O-CB 3.25Å; K129-Q133 WeakPolarHBondContact O-CB 3.24Å; K129-Q133 PolarHBondContact O-N 3.4Å; K129-P139 HydrophobicContact CG-CG 3.92Å |
| 130 | R | 98.5 | Very high | 98.3 | Very high | 155 Ų | 155 | 83.6 Ų | 83.6 | 59% | 0.585 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | 179.5 | -72.9 | 167.2 | -174.4 | 176.7 | 1.6 | 112 | Q126 T127 T128 Q133 R134 | Q126-R130 WeakPolarHBondContact O-CB 3.21Å; Q126-R130 WeakPolarHBondContact O-CD 3.19Å; Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-N 3.26Å; Q126-R130 VanDerWaalsContact O-N 3.09Å; T127-R130 PolarHBondContact O-N 3.11Å; T127-R130 VanDerWaalsContact O-N 3.1Å; T128-R130 PolarHBondContact O-N 2.92Å; R130-Q133 PolarHBondContact O-N 2.99Å; R130-R134 WeakPolarHBondContact O-CG 3.48Å; R130-R134 PolarHBondContact O-N 3.02Å; R130-R134 VanDerWaalsContact O-N 3.17Å |
| 131 | E | 98.1 | Very high | 98.3 | Very high | 106 Ų | 106 | 83 Ų | 83 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 178.2 | -72.6 | 174.6 | 170.4 | 0 | 0 | 111.6 | T127 T128 Q133 R134 | T127-E131 WeakPolarHBondContact O-CG 3.33Å; T127-E131 PolarHBondContact O-N 3.08Å; T128-E131 PolarHBondContact O-N 2.88Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 2.83Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.33Å |
| 132 | L | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 85 Ų | 85 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.5 | -72.7 | 170.2 | 0 | 0 | 0 | 111.8 | P90 T128 R134 M135 K136 Q137 P139 | P90-L132 HydrophobicContact CG-CD2 4.27Å; T128-L132 HydrophobicContact CG2-CD1 3.83Å; T128-L132 HydrophobicContact CG2-CG 4.48Å; T128-L132 WeakPolarHBondContact O-CB 3.35Å; T128-L132 WeakPolarHBondContact O-CG 3.2Å; T128-L132 PolarHBondContact O-N 2.9Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 2.83Å; L132-M135 HydrophobicContact CD2-CE 3.86Å; L132-M135 CarbonylContact O-C 3.34Å; L132-M135 WeakPolarHBondContact O-CA 3.45Å; L132-M135 PolarHBondContact O-N 2.93Å; L132-K136 PolarHBondContact O-N 3.16Å; L132-K136 VanDerWaalsContact O-N 3.16Å; L132-Q137 CarbonylContact C-O 3.52Å; L132-Q137 HydrophobicContact CB-CB 4.12Å; L132-Q137 HydrophobicContact CD2-CB 3.92Å; L132-Q137 WeakPolarHBondContact O-CA 3.42Å; L132-Q137 PolarHBondContact O-N 3.31Å; L132-P139 HydrophobicContact CD1-CB 4.29Å; L132-P139 HydrophobicContact CD1-CG 3.8Å |
| 133 | Q | 98.1 | Very high | 98.3 | Very high | 143 Ų | 143 | 87.9 Ų | 87.9 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.2 | -34.7 | 178 | -172.1 | 178.7 | 28.9 | 0 | 0 | 112.4 | K129 R130 E131 M135 K136 Q137 | K129-Q133 VanDerWaalsContact O-CB 3.25Å; K129-Q133 WeakPolarHBondContact O-CB 3.24Å; K129-Q133 PolarHBondContact O-N 3.4Å; R130-Q133 PolarHBondContact O-N 2.99Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 2.83Å; Q133-M135 PolarHBondContact O-N 2.71Å; Q133-K136 WeakPolarHBondContact O-CA 3.47Å; Q133-K136 PolarHBondContact O-N 3.2Å; Q133-Q137 PolarHBondContact N-O 2.95Å |
| 134 | R | 97.7 | Very high | 98.3 | Very high | 214 Ų | 214 | 89 Ų | 89 | 81% | 0.808 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.2 | -29.8 | 173.5 | -70.9 | 171.3 | 175.9 | 178.4 | -1.3 | 112.2 | R130 E131 L132 K136 | R130-R134 WeakPolarHBondContact O-CG 3.48Å; R130-R134 PolarHBondContact O-N 3.02Å; R130-R134 VanDerWaalsContact O-N 3.17Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.33Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 2.83Å; R134-K136 VanDerWaalsContact C-N 3.33Å |
| 135 | M | 96.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 83.5 Ų | 83.5 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 11.4 | 175.1 | -56.7 | -175.2 | -62.4 | 0 | 0 | 112.6 | L132 Q133 Q137 | L132-M135 HydrophobicContact CD2-CE 3.86Å; L132-M135 CarbonylContact O-C 3.34Å; L132-M135 WeakPolarHBondContact O-CA 3.45Å; L132-M135 PolarHBondContact O-N 2.93Å; Q133-M135 PolarHBondContact O-N 2.71Å; M135-Q137 PolarHBondContact O-N 2.94Å |
| 136 | K | 97.8 | Very high | 98.4 | Very high | 204 Ų | 204 | 86.6 Ų | 86.6 | 89% | 0.887 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 26.7 | -174.8 | -54.8 | 179.6 | -178.8 | 177.6 | 0 | 113.7 | L132 Q133 R134 | L132-K136 PolarHBondContact O-N 3.16Å; L132-K136 VanDerWaalsContact O-N 3.16Å; Q133-K136 WeakPolarHBondContact O-CA 3.47Å; Q133-K136 PolarHBondContact O-N 3.2Å; R134-K136 VanDerWaalsContact C-N 3.33Å |
| 137 | Q | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 84.2 Ų | 84.2 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | trans | -109.1 | 172.2 | 176.8 | -73 | -177.2 | -14.2 | 0 | 0 | 110.7 | P90 D91 L132 Q133 M135 | P90-Q137 HydrophobicContact CG-CB 4.23Å; D91-Q137 PolarHBondContact OD1-NE2 2.69Å; L132-Q137 CarbonylContact C-O 3.52Å; L132-Q137 HydrophobicContact CB-CB 4.12Å; L132-Q137 HydrophobicContact CD2-CB 3.92Å; L132-Q137 WeakPolarHBondContact O-CA 3.42Å; L132-Q137 PolarHBondContact O-N 3.31Å; Q133-Q137 PolarHBondContact N-O 2.95Å; M135-Q137 PolarHBondContact O-N 2.94Å | ||
| 138 | K | 98.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 81.5 Ų | 81.5 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | trans | -141.4 | 156.7 | 174.3 | 61.5 | 176.2 | -177.6 | 170 | 0 | 108.9 | P90 E144 | P90-K138 WeakPolarHBondContact CG-O 2.91Å; K138-E144 WeakPolarHBondContact CE-OE1 3.32Å; K138-E144 IonicContact NZ-OE1 2.99Å; K138-E144 PolarHBondContact NZ-OE1 3.38Å | ||
| 139 | P | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 81.2 Ų | 81.2 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.7 | 172.4 | -22.9 | 31.7 | 0 | 0 | 0 | 111.4 | V87 R123 T128 K129 L132 T141 | V87-P139 HydrophobicContact CG1-CB 4.11Å; V87-P139 CarbonylContact O-C 3.52Å; V87-P139 VanDerWaalsContact O-CA 3.29Å; V87-P139 WeakPolarHBondContact O-CA 3.48Å; R123-P139 HydrophobicContact CG-CB 4.32Å; T128-P139 HydrophobicContact CG2-CG 4.43Å; K129-P139 HydrophobicContact CG-CG 3.92Å; L132-P139 HydrophobicContact CD1-CB 4.29Å; L132-P139 HydrophobicContact CD1-CG 3.8Å; P139-T141 PolarHBondContact O-N 2.71Å |
| 140 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 86.2 Ų | 86.2 | 2% | 0.024 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -62 | 127.8 | 179 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | F85 V87 P90 L93 R123 E144 | F85-V140 HydrophobicContact CE2-CB 4Å; F85-V140 HydrophobicContact CE2-CG1 3.69Å; F85-V140 HydrophobicContact CE2-CG2 4.1Å; F85-V140 HydrophobicContact CZ-CG1 4.09Å; V87-V140 PolarHBondContact O-N 2.78Å; P90-V140 HydrophobicContact CB-CG2 4.33Å; P90-V140 HydrophobicContact CG-CG2 4.35Å; L93-V140 HydrophobicContact CB-CG2 4.23Å; L93-V140 HydrophobicContact CD2-CG1 3.71Å; L93-V140 HydrophobicContact CD2-CG2 4.26Å; R123-V140 PolarHBondContact NE-O 3.47Å; R123-V140 PolarHBondContact NH2-O 3.09Å; V140-E144 HydrophobicContact CG1-CB 4.14Å |
| 141 | T | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 84.4 Ų | 84.4 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 155.1 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | P139 S143 E144 G145 | P139-T141 PolarHBondContact O-N 2.71Å; T141-S143 PolarHBondContact O-N 3Å; T141-E144 WeakPolarHBondContact CB-OE2 3.23Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.37Å; T141-E144 PolarHBondContact N-OE2 3.45Å; T141-E144 PolarHBondContact O-N 2.86Å; T141-E144 WeakPolarHBondContact OG1-CB 3.38Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.22Å; T141-E144 PolarHBondContact OG1-N 3.19Å; T141-E144 PolarHBondContact OG1-OE2 2.81Å; T141-G145 PolarHBondContact O-N 3.3Å; T141-G145 VanDerWaalsContact O-N 3.11Å |
| 142 | E | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 80.3 Ų | 80.3 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -38 | 175.2 | -173.2 | -176 | 161.4 | 0 | 0 | 111.8 | G145 R146 Y157 E159 | E142-G145 PolarHBondContact O-N 2.8Å; E142-R146 HydrophobicContact CG-CG 4.42Å; E142-R146 WeakPolarHBondContact O-CB 3.25Å; E142-R146 VanDerWaalsContact O-CG 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.42Å; E142-R146 PolarHBondContact O-N 2.79Å; E142-R146 IonicContact OE1-CZ 3.35Å; E142-R146 IonicContact OE1-NE 3.96Å; E142-R146 PolarHBondContact OE1-NE 2.92Å; E142-R146 IonicContact OE1-NH2 3.17Å; E142-R146 PolarHBondContact OE1-NH2 3.34Å; E142-Y157 HydrophobicContact CG-CE1 4.17Å; E142-E159 VanDerWaalsContact CA-OE1 3.25Å; E142-E159 WeakPolarHBondContact CA-OE1 3.4Å; E142-E159 WeakPolarHBondContact CB-OE1 3.09Å |
| 143 | S | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 82.3 Ų | 82.3 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 178.3 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | T141 S147 | T141-S143 PolarHBondContact O-N 3Å; S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.49Å; S143-S147 PolarHBondContact O-N 2.88Å |
| 144 | E | 98.9 | Very high | 98.5 | Very high | 65 Ų | 65 | 76.4 Ų | 76.4 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 176.5 | -74.9 | 155.2 | 166.3 | 0 | 0 | 110.1 | L93 K138 V140 T141 R146 S147 V148 | L93-E144 HydrophobicContact CD2-CB 4.22Å; K138-E144 WeakPolarHBondContact CE-OE1 3.32Å; K138-E144 IonicContact NZ-OE1 2.99Å; K138-E144 PolarHBondContact NZ-OE1 3.38Å; V140-E144 HydrophobicContact CG1-CB 4.14Å; T141-E144 WeakPolarHBondContact CB-OE2 3.23Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.37Å; T141-E144 PolarHBondContact N-OE2 3.45Å; T141-E144 PolarHBondContact O-N 2.86Å; T141-E144 WeakPolarHBondContact OG1-CB 3.38Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.22Å; T141-E144 PolarHBondContact OG1-N 3.19Å; T141-E144 PolarHBondContact OG1-OE2 2.81Å; E144-R146 PolarHBondContact O-N 2.86Å; E144-S147 WeakPolarHBondContact O-CB 3.29Å; E144-S147 PolarHBondContact O-N 3.4Å; E144-V148 PolarHBondContact O-N 3Å |
| 145 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T141 E142 S147 V148 A149 | T141-G145 PolarHBondContact O-N 3.3Å; T141-G145 VanDerWaalsContact O-N 3.11Å; E142-G145 PolarHBondContact O-N 2.8Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 3.07Å; G145-V148 PolarHBondContact O-N 3.25Å; G145-A149 WeakPolarHBondContact O-CB 3.46Å; G145-A149 PolarHBondContact O-N 3.4Å |
| 146 | R | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 67.6 Ų | 67.6 | 48% | 0.475 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 174.6 | -74.9 | -178.8 | -175.3 | -70.7 | -1.2 | 112.4 | E142 E144 A149 K150 Y157 | E142-R146 HydrophobicContact CG-CG 4.42Å; E142-R146 WeakPolarHBondContact O-CB 3.25Å; E142-R146 VanDerWaalsContact O-CG 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.42Å; E142-R146 PolarHBondContact O-N 2.79Å; E142-R146 IonicContact OE1-CZ 3.35Å; E142-R146 IonicContact OE1-NE 3.96Å; E142-R146 PolarHBondContact OE1-NE 2.92Å; E142-R146 IonicContact OE1-NH2 3.17Å; E142-R146 PolarHBondContact OE1-NH2 3.34Å; E144-R146 PolarHBondContact O-N 2.86Å; R146-A149 PolarHBondContact O-N 2.93Å; R146-K150 PolarHBondContact O-N 2.7Å; R146-Y157 HydrophobicContact CB-CD1 4.41Å; R146-Y157 HydrophobicContact CG-CD1 3.35Å; R146-Y157 HydrophobicContact CG-CE1 3.65Å; R146-Y157 HydrophobicContact CG-CG 4.08Å |
| 147 | S | 98.9 | Very high | 98.7 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 176.6 | -172.8 | 0 | 0 | 0 | 0 | 111 | S143 E144 G145 A149 K150 N151 | S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.49Å; S143-S147 PolarHBondContact O-N 2.88Å; E144-S147 WeakPolarHBondContact O-CB 3.29Å; E144-S147 PolarHBondContact O-N 3.4Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 3.07Å; S147-A149 PolarHBondContact O-N 2.6Å; S147-K150 WeakPolarHBondContact O-CB 3.25Å; S147-K150 PolarHBondContact O-N 2.82Å; S147-N151 PolarHBondContact O-N 3.17Å; S147-N151 PolarHBondContact O-ND2 2.58Å; S147-N151 PolarHBondContact O-OD1 3.09Å |
| 148 | V | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L93 I96 L115 E144 G145 K150 N151 I152 | L93-V148 HydrophobicContact CD1-CB 3.87Å; L93-V148 HydrophobicContact CD1-CG1 3.93Å; L93-V148 HydrophobicContact CD1-CG2 3.86Å; L93-V148 HydrophobicContact CD2-CG2 4Å; L93-V148 HydrophobicContact CG-CB 4.5Å; L93-V148 HydrophobicContact CG-CG2 3.93Å; I96-V148 HydrophobicContact CB-CG1 4.09Å; I96-V148 HydrophobicContact CG2-CG1 3.71Å; L115-V148 HydrophobicContact CD2-CB 4.31Å; L115-V148 HydrophobicContact CD2-CG1 4.02Å; E144-V148 PolarHBondContact O-N 3Å; G145-V148 PolarHBondContact O-N 3.25Å; V148-K150 VanDerWaalsContact C-N 3.27Å; V148-K150 PolarHBondContact O-N 3.08Å; V148-N151 PolarHBondContact O-N 3.04Å; V148-N151 VanDerWaalsContact O-N 3.09Å; V148-I152 HydrophobicContact CG1-CG2 4.34Å; V148-I152 WeakPolarHBondContact O-CG1 3.43Å; V148-I152 PolarHBondContact O-N 3.44Å |
| 149 | A | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.3 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L115 G145 R146 S147 I152 G153 A154 Y157 | L115-A149 HydrophobicContact CB-CB 4.14Å; L115-A149 HydrophobicContact CD2-CB 3.81Å; G145-A149 WeakPolarHBondContact O-CB 3.46Å; G145-A149 PolarHBondContact O-N 3.4Å; R146-A149 PolarHBondContact O-N 2.93Å; S147-A149 PolarHBondContact O-N 2.6Å; A149-I152 WeakPolarHBondContact O-CG1 3.49Å; A149-G153 PolarHBondContact O-N 3.04Å; A149-A154 HydrophobicContact CB-CB 4.16Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.47Å; A149-Y157 HydrophobicContact CB-CD2 4.01Å; A149-Y157 HydrophobicContact CB-CG 4.17Å |
| 150 | K | 98.8 | Very high | 98.8 | Very high | 174 Ų | 174 | 52.5 Ų | 52.5 | 76% | 0.757 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 175.6 | -175.3 | -177.8 | 177.7 | -175.9 | 0 | 111.5 | R146 S147 V148 I152 G153 | R146-K150 PolarHBondContact O-N 2.7Å; S147-K150 WeakPolarHBondContact O-CB 3.25Å; S147-K150 PolarHBondContact O-N 2.82Å; V148-K150 VanDerWaalsContact C-N 3.27Å; V148-K150 PolarHBondContact O-N 3.08Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.39Å; K150-G153 PolarHBondContact O-N 3.21Å; K150-G153 VanDerWaalsContact O-N 3.13Å |
| 151 | N | 98.7 | Very high | 98.8 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 63% | 0.631 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.9 | -37.7 | -176.8 | -68 | -17.1 | 0 | 0 | 0 | 112.8 | S147 V148 G153 | S147-N151 PolarHBondContact O-N 3.17Å; S147-N151 PolarHBondContact O-ND2 2.58Å; S147-N151 PolarHBondContact O-OD1 3.09Å; V148-N151 PolarHBondContact O-N 3.04Å; V148-N151 VanDerWaalsContact O-N 3.09Å; N151-G153 VanDerWaalsContact C-N 3.28Å; N151-G153 PolarHBondContact O-N 2.9Å |
| 152 | I | 98.4 | Very high | 98.7 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.7 | 177.4 | 71.9 | 178 | 0 | 0 | 0 | 113.3 | L83 I96 M101 L115 V148 A149 K150 A154 | L83-I152 HydrophobicContact CD2-CD1 4.15Å; I96-I152 HydrophobicContact CG2-CD1 3.65Å; I96-I152 HydrophobicContact CG2-CG2 4.15Å; M101-I152 HydrophobicContact CB-CG2 4.32Å; M101-I152 HydrophobicContact CE-CB 4.14Å; M101-I152 WeakPolarHBondContact CE-O 3.43Å; M101-I152 HydrophobicContact CG-CB 3.95Å; M101-I152 HydrophobicContact CG-CG2 4.1Å; M101-I152 HydrophobicContact SD-CB 3.96Å; M101-I152 HydrophobicContact SD-CD1 4.12Å; M101-I152 HydrophobicContact SD-CG1 4.38Å; L115-I152 HydrophobicContact CB-CD1 4.46Å; L115-I152 HydrophobicContact CD1-CD1 4.35Å; L115-I152 HydrophobicContact CD2-CD1 4.39Å; V148-I152 HydrophobicContact CG1-CG2 4.34Å; V148-I152 WeakPolarHBondContact O-CG1 3.43Å; V148-I152 PolarHBondContact O-N 3.44Å; A149-I152 WeakPolarHBondContact O-CG1 3.49Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.39Å; I152-A154 HydrophobicContact CD1-CB 4.17Å; I152-A154 HydrophobicContact CG1-CB 3.97Å |
| 153 | G | 98.1 | Very high | 98.7 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 34.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A149 K150 N151 | A149-G153 PolarHBondContact O-N 3.04Å; K150-G153 PolarHBondContact O-N 3.21Å; K150-G153 VanDerWaalsContact O-N 3.13Å; N151-G153 VanDerWaalsContact C-N 3.28Å; N151-G153 PolarHBondContact O-N 2.9Å |
| 154 | A | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | trans | -64.3 | 140 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V113 L115 A149 I152 A156 | V113-A154 CarbonylContact O-C 3.58Å; V113-A154 WeakPolarHBondContact O-CA 3.43Å; L115-A154 HydrophobicContact CB-CB 4.12Å; A149-A154 HydrophobicContact CB-CB 4.16Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.47Å; I152-A154 HydrophobicContact CD1-CB 4.17Å; I152-A154 HydrophobicContact CG1-CB 3.97Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 3.38Å | ||
| 155 | Q | 98.5 | Very high | 98.6 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.8 | -19.4 | 179.6 | -68.1 | -150.4 | -48.6 | 0 | 0 | 113.1 | P112 V113 I178 | P112-Q155 HydrophobicContact CB-CG 4.14Å; V113-Q155 PolarHBondContact O-N 2.78Å; Q155-I178 HydrophobicContact CB-CD1 3.88Å |
| 156 | A | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 154.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I114 L115 A154 T174 I178 | I114-A156 HydrophobicContact CB-CB 4.27Å; I114-A156 HydrophobicContact CG2-CB 3.85Å; L115-A156 PolarHBondContact N-O 3.33Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 3.38Å; A156-T174 HydrophobicContact CB-CG2 3.69Å; A156-I178 HydrophobicContact CB-CD1 4.41Å |
| 157 | Y | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.1 | 166.7 | 175.2 | -105 | 0 | 0 | 0 | 108.7 | F85 L115 A117 E142 R146 A149 E159 | F85-Y157 AromaticContact CE1-CE2 3.96Å; F85-Y157 HydrophobicContact CE1-CE2 3.96Å; F85-Y157 HydrophobicContact CZ-CE2 4.16Å; L115-Y157 HydrophobicContact CB-CD2 4.21Å; L115-Y157 HydrophobicContact CD2-CD2 4.08Å; L115-Y157 HydrophobicContact CD2-CE2 4.34Å; L115-Y157 HydrophobicContact CG-CD2 4.16Å; L115-Y157 HydrophobicContact CG-CE2 4.49Å; L115-Y157 WeakPolarHBondContact O-CA 3.49Å; A117-Y157 HydrophobicContact CB-CE2 4.04Å; A117-Y157 WeakPolarHBondContact CB-OH 3.12Å; E142-Y157 HydrophobicContact CG-CE1 4.17Å; R146-Y157 HydrophobicContact CB-CD1 4.41Å; R146-Y157 HydrophobicContact CG-CD1 3.35Å; R146-Y157 HydrophobicContact CG-CE1 3.65Å; R146-Y157 HydrophobicContact CG-CG 4.08Å; A149-Y157 HydrophobicContact CB-CD2 4.01Å; A149-Y157 HydrophobicContact CB-CG 4.17Å; Y157-E159 HydrophobicContact CE1-CG 3.62Å; Y157-E159 PolarHBondContact OH-OE1 3.24Å |
| 158 | I | 98.9 | Very high | 98.5 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.1 | -178.5 | -57.8 | 174.2 | 0 | 0 | 0 | 108.8 | L115 V116 A117 D170 V171 T174 | L115-I158 PolarHBondContact O-N 2.71Å; V116-I158 CarbonylContact C-O 3.53Å; V116-I158 VanDerWaalsContact CA-O 3.29Å; V116-I158 WeakPolarHBondContact CA-O 3.43Å; A117-I158 PolarHBondContact N-O 2.98Å; I158-D170 WeakPolarHBondContact CD1-O 3.39Å; I158-D170 HydrophobicContact CG2-CB 4.41Å; I158-V171 HydrophobicContact CB-CG2 4.09Å; I158-V171 HydrophobicContact CG2-CG2 3.61Å; I158-T174 HydrophobicContact CD1-CG2 3.95Å |
| 159 | E | 98.9 | Very high | 98.5 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138 | 170.4 | -50.8 | -165.4 | 148.4 | 0 | 0 | 109.6 | A117 K120 R123 E142 Y157 | A117-E159 HydrophobicContact CB-CB 4.28Å; A117-E159 HydrophobicContact CB-CG 4Å; A117-E159 WeakPolarHBondContact O-CA 3.47Å; K120-E159 HydrophobicContact CB-CB 4.4Å; K120-E159 HydrophobicContact CD-CB 3.85Å; K120-E159 WeakPolarHBondContact CE-OE2 3.05Å; K120-E159 HydrophobicContact CG-CB 4.15Å; R123-E159 IonicContact CZ-OE1 2.83Å; R123-E159 IonicContact CZ-OE2 2.68Å; R123-E159 IonicContact NH1-OE1 2.71Å; R123-E159 IonicContact NH1-OE2 2.68Å; R123-E159 PolarHBondContact NH1-OE2 3.4Å; R123-E159 IonicContact NH2-OE1 3.23Å; R123-E159 PolarHBondContact NH2-OE1 2.96Å; R123-E159 IonicContact NH2-OE2 3.56Å; R123-E159 PolarHBondContact NH2-OE2 3.24Å; R123-E159 VanDerWaalsContact NH2-OE2 3.17Å; E142-E159 VanDerWaalsContact CA-OE1 3.25Å; E142-E159 WeakPolarHBondContact CA-OE1 3.4Å; E142-E159 WeakPolarHBondContact CB-OE1 3.09Å; Y157-E159 HydrophobicContact CE1-CG 3.62Å; Y157-E159 PolarHBondContact OH-OE1 3.24Å |
| 160 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -144 | 158.6 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | V116 A117 N118 K119 K120 E166 V171 | V116-C160 VanDerWaalsContact CG1-SG 3.55Å; A117-C160 PolarHBondContact O-N 2.89Å; N118-C160 CarbonylContact C-O 3.56Å; N118-C160 PolarHBondContact OD1-SG 3.08Å; K119-C160 PolarHBondContact N-O 3.44Å; K120-C160 WeakPolarHBondContact CB-O 3.29Å; K120-C160 PolarHBondContact N-O 3.34Å; C160-E166 CarbonylContact C-O 3.54Å; C160-E166 VanDerWaalsContact CA-O 3.24Å; C160-E166 WeakPolarHBondContact CA-O 3.25Å; C160-E166 WeakPolarHBondContact CB-O 3.44Å; C160-V171 HydrophobicContact CB-CG2 4.27Å | ||
| 161 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -124.1 | 108 | 166.3 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | D121 K163 Q164 K165 E166 | D121-S161 VanDerWaalsContact OD1-CB 3.25Å; D121-S161 WeakPolarHBondContact OD1-CB 3.4Å; D121-S161 PolarHBondContact OD1-OG 3.07Å; S161-K163 PolarHBondContact O-N 3.18Å; S161-K163 PolarHBondContact OG-N 2.88Å; S161-Q164 PolarHBondContact O-N 2.63Å; S161-Q164 WeakPolarHBondContact OG-CG 3.4Å; S161-Q164 PolarHBondContact OG-N 3.3Å; S161-K165 CarbonylContact O-C 3.47Å; S161-K165 WeakPolarHBondContact O-CA 2.93Å; S161-K165 PolarHBondContact O-N 2.98Å; S161-E166 PolarHBondContact N-O 3.23Å; S161-E166 PolarHBondContact O-N 3.41Å |
| 162 | A | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | C21 V25 F31 Q164 K165 | C21-A162 HydrophobicContact CB-CB 4.03Å; V25-A162 HydrophobicContact CB-CB 4.37Å; V25-A162 HydrophobicContact CG2-CB 3.97Å; V25-A162 WeakPolarHBondContact CG2-O 3.39Å; F31-A162 HydrophobicContact CD2-CB 3.94Å; F31-A162 HydrophobicContact CE2-CB 3.99Å; A162-Q164 PolarHBondContact O-N 3.48Å; A162-K165 PolarHBondContact O-N 3.23Å |
| 163 | K | 97.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 53% | 0.53 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -42.6 | 179.7 | -174.8 | 177.6 | 178.4 | -177.2 | 0 | 112.4 | F31 S161 | F31-K163 HydrophobicContact CD2-CB 4.1Å; F31-K163 HydrophobicContact CE2-CB 3.91Å; F31-K163 HydrophobicContact CZ-CB 4.19Å; S161-K163 PolarHBondContact O-N 3.18Å; S161-K163 PolarHBondContact OG-N 2.88Å |
| 164 | Q | 97.9 | Very high | 98.5 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1 | 177.9 | -55.6 | -59.9 | -21.9 | 0 | 0 | 113.3 | D121 S161 A162 E166 | D121-Q164 HydrophobicContact CB-CG 3.79Å; S161-Q164 PolarHBondContact O-N 2.63Å; S161-Q164 WeakPolarHBondContact OG-CG 3.4Å; S161-Q164 PolarHBondContact OG-N 3.3Å; A162-Q164 PolarHBondContact O-N 3.48Å; Q164-E166 HydrophobicContact CB-CB 4.41Å; Q164-E166 PolarHBondContact O-N 2.61Å |
| 165 | K | 97.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 47.9 Ų | 47.9 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.8 | -172.6 | -52.8 | -179.9 | 178.3 | -175.5 | 0 | 113.4 | V25 G29 S161 A162 | V25-K165 HydrophobicContact CG1-CG 4.02Å; G29-K165 WeakPolarHBondContact O-CE 3.26Å; G29-K165 PolarHBondContact O-NZ 3.5Å; S161-K165 CarbonylContact O-C 3.47Å; S161-K165 WeakPolarHBondContact O-CA 2.93Å; S161-K165 PolarHBondContact O-N 2.98Å; A162-K165 PolarHBondContact O-N 3.23Å |
| 166 | E | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -93.6 | 131 | -179 | -170.7 | -167.7 | 166 | 0 | 0 | 110.2 | K120 C160 S161 Q164 V168 | K120-E166 IonicContact NZ-OE1 3.55Å; K120-E166 PolarHBondContact NZ-OE1 2.85Å; C160-E166 CarbonylContact C-O 3.54Å; C160-E166 VanDerWaalsContact CA-O 3.24Å; C160-E166 WeakPolarHBondContact CA-O 3.25Å; C160-E166 WeakPolarHBondContact CB-O 3.44Å; S161-E166 PolarHBondContact N-O 3.23Å; S161-E166 PolarHBondContact O-N 3.41Å; Q164-E166 HydrophobicContact CB-CB 4.41Å; Q164-E166 PolarHBondContact O-N 2.61Å; E166-V168 PolarHBondContact O-N 3Å |
| 167 | G | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 70.1 | -2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D170 V171 | G167-D170 PolarHBondContact O-N 2.95Å; G167-V171 WeakPolarHBondContact O-CG2 3.31Å; G167-V171 PolarHBondContact O-N 2.99Å |
| 168 | V | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | -177.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | L22 V25 F26 E166 D170 V171 F172 | L22-V168 HydrophobicContact CD1-CB 4.37Å; L22-V168 HydrophobicContact CD1-CG1 4.04Å; L22-V168 HydrophobicContact CD1-CG2 4.12Å; V25-V168 HydrophobicContact CG1-CG1 4.2Å; V25-V168 HydrophobicContact CG1-CG2 4.07Å; F26-V168 HydrophobicContact CB-CG1 3.76Å; F26-V168 HydrophobicContact CD2-CG1 4.5Å; E166-V168 PolarHBondContact O-N 3Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 3.2Å; V168-V171 WeakPolarHBondContact O-CB 3.46Å; V168-V171 PolarHBondContact O-N 2.84Å; V168-F172 HydrophobicContact CG1-CD2 4.38Å; V168-F172 HydrophobicContact CG1-CE2 4.25Å; V168-F172 VanDerWaalsContact O-CD2 3.26Å; V168-F172 WeakPolarHBondContact O-CD2 3.49Å |
| 169 | N | 97.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 51% | 0.508 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -39 | 178.8 | -69.3 | -20.1 | 0 | 0 | 0 | 111.8 | V171 F172 E173 | N169-V171 PolarHBondContact O-N 3.28Å; N169-F172 PolarHBondContact O-N 3.24Å; N169-F172 VanDerWaalsContact O-N 3.1Å; N169-E173 WeakPolarHBondContact O-CB 3.45Å; N169-E173 WeakPolarHBondContact O-CG 3.22Å; N169-E173 PolarHBondContact O-N 3.26Å |
| 170 | D | 98.6 | Very high | 98 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.4 | -37.8 | 179 | -58.1 | -29.5 | 0 | 0 | 0 | 111.9 | I158 G167 V168 T174 | I158-D170 WeakPolarHBondContact CD1-O 3.39Å; I158-D170 HydrophobicContact CG2-CB 4.41Å; G167-D170 PolarHBondContact O-N 2.95Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 3.2Å; D170-T174 WeakPolarHBondContact O-CB 3.35Å; D170-T174 PolarHBondContact O-N 3.45Å; D170-T174 PolarHBondContact O-OG1 2.94Å |
| 171 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -53.7 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L22 V82 I114 V116 I158 C160 G167 V168 N169 A175 | L22-V171 HydrophobicContact CD2-CG1 4.3Å; V82-V171 HydrophobicContact CG1-CG1 4.04Å; I114-V171 HydrophobicContact CD1-CG1 3.98Å; V116-V171 HydrophobicContact CG1-CG2 3.92Å; V116-V171 HydrophobicContact CG2-CG1 3.78Å; V116-V171 HydrophobicContact CG2-CG2 4.04Å; I158-V171 HydrophobicContact CB-CG2 4.09Å; I158-V171 HydrophobicContact CG2-CG2 3.61Å; C160-V171 HydrophobicContact CB-CG2 4.27Å; G167-V171 WeakPolarHBondContact O-CG2 3.31Å; G167-V171 PolarHBondContact O-N 2.99Å; V168-V171 WeakPolarHBondContact O-CB 3.46Å; V168-V171 PolarHBondContact O-N 2.84Å; N169-V171 PolarHBondContact O-N 3.28Å; V171-A175 VanDerWaalsContact O-CB 3.3Å; V171-A175 WeakPolarHBondContact O-CB 3.47Å; V171-A175 PolarHBondContact O-N 2.96Å |
| 172 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.7 | -33.9 | -173.1 | -68.4 | -77.1 | 0 | 0 | 0 | 113 | L9 L22 L23 F26 L58 V168 N169 A175 A176 | L9-F172 HydrophobicContact CD2-CD1 4.17Å; L22-F172 HydrophobicContact CD1-CE2 3.89Å; L22-F172 HydrophobicContact CD1-CZ 4.5Å; L22-F172 HydrophobicContact CD2-CZ 4.37Å; L22-F172 HydrophobicContact CG-CE2 3.84Å; L22-F172 HydrophobicContact CG-CZ 3.95Å; L23-F172 HydrophobicContact CD2-CE1 3.71Å; L23-F172 HydrophobicContact CD2-CZ 3.65Å; L23-F172 HydrophobicContact CG-CZ 4.27Å; F26-F172 HydrophobicContact CB-CD2 3.57Å; F26-F172 HydrophobicContact CB-CE2 3.34Å; F26-F172 HydrophobicContact CB-CG 4.46Å; F26-F172 HydrophobicContact CB-CZ 4.06Å; F26-F172 HydrophobicContact CD1-CB 4.29Å; F26-F172 AromaticContact CD1-CD1 3.87Å; F26-F172 HydrophobicContact CD1-CD1 3.87Å; F26-F172 AromaticContact CD1-CD2 3.63Å; F26-F172 HydrophobicContact CD1-CD2 3.63Å; F26-F172 HydrophobicContact CD1-CE1 4.08Å; F26-F172 AromaticContact CD1-CE2 3.87Å; F26-F172 HydrophobicContact CD1-CE2 3.87Å; F26-F172 AromaticContact CD1-CG 3.64Å; F26-F172 HydrophobicContact CD1-CG 3.64Å; F26-F172 HydrophobicContact CD1-CZ 4.09Å; F26-F172 HydrophobicContact CD2-CB 3.96Å; F26-F172 AromaticContact CD2-CD2 3.4Å; F26-F172 HydrophobicContact CD2-CD2 3.4Å; F26-F172 HydrophobicContact CD2-CE2 4.12Å; F26-F172 AromaticContact CD2-CG 3.82Å; F26-F172 HydrophobicContact CD2-CG 3.82Å; F26-F172 HydrophobicContact CE1-CB 3.9Å; F26-F172 AromaticContact CE1-CD1 3.9Å; F26-F172 HydrophobicContact CE1-CD1 3.9Å; F26-F172 HydrophobicContact CE1-CD2 4.13Å; F26-F172 AromaticContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE1-CG 3.7Å; F26-F172 HydrophobicContact CE2-CB 3.55Å; F26-F172 AromaticContact CE2-CD2 3.94Å; F26-F172 HydrophobicContact CE2-CD2 3.94Å; F26-F172 AromaticContact CE2-CG 3.88Å; F26-F172 HydrophobicContact CE2-CG 3.88Å; F26-F172 HydrophobicContact CG-CB 4.31Å; F26-F172 HydrophobicContact CG-CD1 4.34Å; F26-F172 AromaticContact CG-CD2 3.22Å; F26-F172 HydrophobicContact CG-CD2 3.22Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.7Å; F26-F172 HydrophobicContact CG-CG 3.7Å; F26-F172 HydrophobicContact CG-CZ 4.18Å; F26-F172 HydrophobicContact CZ-CB 3.52Å; F26-F172 HydrophobicContact CZ-CD1 4.41Å; F26-F172 HydrophobicContact CZ-CD2 4.27Å; F26-F172 AromaticContact CZ-CG 3.82Å; F26-F172 HydrophobicContact CZ-CG 3.82Å; L58-F172 HydrophobicContact CD1-CE1 4.27Å; L58-F172 HydrophobicContact CD2-CD1 4.14Å; L58-F172 HydrophobicContact CD2-CE1 4.13Å; V168-F172 HydrophobicContact CG1-CD2 4.38Å; V168-F172 HydrophobicContact CG1-CE2 4.25Å; V168-F172 VanDerWaalsContact O-CD2 3.26Å; V168-F172 WeakPolarHBondContact O-CD2 3.49Å; N169-F172 PolarHBondContact O-N 3.24Å; N169-F172 VanDerWaalsContact O-N 3.1Å; F172-A175 PolarHBondContact O-N 3.36Å; F172-A176 WeakPolarHBondContact O-CB 3.37Å; F172-A176 PolarHBondContact O-N 2.84Å |
| 173 | E | 97.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 61.7 Ų | 61.7 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 171.4 | -75.1 | -177.2 | -168.6 | 0 | 0 | 111.4 | M47 N169 A176 R177 | M47-E173 HydrophobicContact CE-CB 4.28Å; M47-E173 HydrophobicContact CE-CG 3.44Å; M47-E173 VanDerWaalsContact CE-CG 3.44Å; N169-E173 WeakPolarHBondContact O-CB 3.45Å; N169-E173 WeakPolarHBondContact O-CG 3.22Å; N169-E173 PolarHBondContact O-N 3.26Å; E173-A176 PolarHBondContact O-N 3.21Å; E173-R177 WeakPolarHBondContact O-CB 3.25Å; E173-R177 PolarHBondContact O-N 3.34Å |
| 174 | T | 98.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | A156 I158 D170 A176 R177 I178 | A156-T174 HydrophobicContact CB-CG2 3.69Å; I158-T174 HydrophobicContact CD1-CG2 3.95Å; D170-T174 WeakPolarHBondContact O-CB 3.35Å; D170-T174 PolarHBondContact O-N 3.45Å; D170-T174 PolarHBondContact O-OG1 2.94Å; T174-A176 PolarHBondContact O-N 3.26Å; T174-R177 PolarHBondContact O-N 3.03Å; T174-I178 HydrophobicContact CG2-CD1 3.79Å; T174-I178 WeakPolarHBondContact O-CB 3.41Å; T174-I178 WeakPolarHBondContact O-CG1 3.46Å; T174-I178 PolarHBondContact O-N 3.38Å |
| 175 | A | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L9 V80 V82 I114 V171 F172 I178 A179 | L9-A175 HydrophobicContact CD2-CB 3.61Å; L9-A175 HydrophobicContact CG-CB 4.4Å; V80-A175 HydrophobicContact CG1-CB 4.14Å; V82-A175 HydrophobicContact CG2-CB 4.18Å; I114-A175 HydrophobicContact CD1-CB 3.8Å; V171-A175 VanDerWaalsContact O-CB 3.3Å; V171-A175 WeakPolarHBondContact O-CB 3.47Å; V171-A175 PolarHBondContact O-N 2.96Å; F172-A175 PolarHBondContact O-N 3.36Å; A175-I178 PolarHBondContact O-N 3.43Å; A175-A179 VanDerWaalsContact O-CB 3.26Å; A175-A179 WeakPolarHBondContact O-CB 3.43Å; A175-A179 PolarHBondContact O-N 3.45Å |
| 176 | A | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M47 I49 L56 F172 E173 T174 A179 T180 | M47-A176 HydrophobicContact CG-CB 4.49Å; M47-A176 HydrophobicContact SD-CB 3.46Å; M47-A176 WeakPolarHBondContact SD-CB 3.5Å; I49-A176 HydrophobicContact CD1-CB 3.98Å; I49-A176 HydrophobicContact CG1-CB 3.89Å; L56-A176 HydrophobicContact CD1-CB 4.11Å; L56-A176 HydrophobicContact CD2-CB 3.86Å; L56-A176 HydrophobicContact CG-CB 4.48Å; F172-A176 WeakPolarHBondContact O-CB 3.37Å; F172-A176 PolarHBondContact O-N 2.84Å; E173-A176 PolarHBondContact O-N 3.21Å; T174-A176 PolarHBondContact O-N 3.26Å; A176-A179 PolarHBondContact O-N 3.31Å; A176-T180 VanDerWaalsContact O-CB 3.26Å; A176-T180 WeakPolarHBondContact O-CB 3.17Å; A176-T180 PolarHBondContact O-N 3.16Å; A176-T180 PolarHBondContact O-OG1 3.23Å |
| 177 | R | 97.3 | Very high | 87.9 | Confident | 126 Ų | 126 | 73.7 Ų | 73.7 | 48% | 0.475 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 175.1 | -177.1 | 172.8 | 61.3 | -158.2 | -4.6 | 110.9 | I49 E173 T174 A179 T180 D181 | I49-R177 HydrophobicContact CG2-CB 4.24Å; E173-R177 WeakPolarHBondContact O-CB 3.25Å; E173-R177 PolarHBondContact O-N 3.34Å; T174-R177 PolarHBondContact O-N 3.03Å; R177-A179 PolarHBondContact O-N 2.92Å; R177-T180 PolarHBondContact O-N 2.95Å; R177-T180 VanDerWaalsContact O-N 3.15Å; R177-D181 PolarHBondContact O-N 3.29Å |
| 178 | I | 97.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 176.8 | -74.1 | 166.1 | 0 | 0 | 0 | 111.1 | V80 P112 I114 Q155 A156 T174 A175 T180 D181 F182 | V80-I178 HydrophobicContact CB-CG2 4.36Å; V80-I178 HydrophobicContact CG2-CB 4.46Å; V80-I178 HydrophobicContact CG2-CG2 3.76Å; P112-I178 HydrophobicContact CB-CG2 3.54Å; P112-I178 HydrophobicContact CG-CG2 3.56Å; I114-I178 HydrophobicContact CG2-CD1 3.4Å; I114-I178 VanDerWaalsContact CG2-CD1 3.4Å; Q155-I178 HydrophobicContact CB-CD1 3.88Å; A156-I178 HydrophobicContact CB-CD1 4.41Å; T174-I178 HydrophobicContact CG2-CD1 3.79Å; T174-I178 WeakPolarHBondContact O-CB 3.41Å; T174-I178 WeakPolarHBondContact O-CG1 3.46Å; T174-I178 PolarHBondContact O-N 3.38Å; A175-I178 PolarHBondContact O-N 3.43Å; I178-T180 VanDerWaalsContact C-N 3.28Å; I178-T180 PolarHBondContact O-N 2.82Å; I178-D181 PolarHBondContact O-N 2.93Å; I178-F182 VanDerWaalsContact O-CB 3.26Å; I178-F182 WeakPolarHBondContact O-CB 3.42Å; I178-F182 PolarHBondContact O-N 3.29Å |
| 179 | A | 96.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K7 L9 N79 V80 A175 A176 R177 | K7-A179 HydrophobicContact CB-CB 4.01Å; K7-A179 HydrophobicContact CD-CB 4.12Å; K7-A179 WeakPolarHBondContact CD-O 3.37Å; K7-A179 VanDerWaalsContact CE-O 3.23Å; K7-A179 WeakPolarHBondContact CE-O 3.38Å; K7-A179 HydrophobicContact CG-CB 4.01Å; K7-A179 PolarHBondContact NZ-O 3.36Å; L9-A179 HydrophobicContact CD1-CB 4.33Å; N79-A179 HydrophobicContact CB-CB 4.03Å; V80-A179 HydrophobicContact CB-CB 4.11Å; V80-A179 HydrophobicContact CG1-CB 3.78Å; A175-A179 VanDerWaalsContact O-CB 3.26Å; A175-A179 WeakPolarHBondContact O-CB 3.43Å; A175-A179 PolarHBondContact O-N 3.45Å; A176-A179 PolarHBondContact O-N 3.31Å; R177-A179 PolarHBondContact O-N 2.92Å |
| 180 | T | 94.5 | Very high | 79.9 | Confident | 23 Ų | 23 | 85.1 Ų | 85.1 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 180 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | I5 A176 R177 I178 F182 | I5-T180 HydrophobicContact CD1-CG2 4.1Å; A176-T180 VanDerWaalsContact O-CB 3.26Å; A176-T180 WeakPolarHBondContact O-CB 3.17Å; A176-T180 PolarHBondContact O-N 3.16Å; A176-T180 PolarHBondContact O-OG1 3.23Å; R177-T180 PolarHBondContact O-N 2.95Å; R177-T180 VanDerWaalsContact O-N 3.15Å; I178-T180 VanDerWaalsContact C-N 3.28Å; I178-T180 PolarHBondContact O-N 2.82Å; T180-F182 VanDerWaalsContact C-N 3.34Å |
| 181 | D | 91.6 | Very high | 77.3 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -78.4 | -21.2 | 179.7 | -64.8 | -25.3 | 0 | 0 | 0 | 112.5 | R177 I178 K183 | R177-D181 PolarHBondContact O-N 3.29Å; I178-D181 PolarHBondContact O-N 2.93Å; D181-K183 PolarHBondContact O-N 3.24Å; D181-K183 VanDerWaalsContact O-N 3.14Å |
| 182 | F | 88.9 | Confident | 74.6 | Confident | 50 Ų | 50 | 97.5 Ų | 97.5 | 22% | 0.219 | 49% | 0.488 | C | S | . | . | trans | -66.8 | 111.2 | 176.8 | -174.5 | -114.1 | 0 | 0 | 0 | 111.8 | N110 I111 P112 I178 T180 T184 | N110-F182 WeakPolarHBondContact O-CE2 3.39Å; N110-F182 VanDerWaalsContact O-CZ 3.25Å; N110-F182 WeakPolarHBondContact O-CZ 3.4Å; I111-F182 HydrophobicContact CD1-CE1 3.55Å; I111-F182 HydrophobicContact CD1-CZ 3.91Å; P112-F182 HydrophobicContact CG-CB 4.26Å; P112-F182 HydrophobicContact CG-CD1 4.42Å; P112-F182 HydrophobicContact CG-CD2 4Å; P112-F182 HydrophobicContact CG-CE2 4.46Å; P112-F182 HydrophobicContact CG-CG 3.98Å; I178-F182 VanDerWaalsContact O-CB 3.26Å; I178-F182 WeakPolarHBondContact O-CB 3.42Å; I178-F182 PolarHBondContact O-N 3.29Å; T180-F182 VanDerWaalsContact C-N 3.34Å; F182-T184 HydrophobicContact CD1-CG2 4Å; F182-T184 HydrophobicContact CE1-CG2 3.61Å | ||
| 183 | K | 76.6 | Confident | 73.5 | Confident | 193 Ų | 193 | 102.4 Ų | 102.4 | 84% | 0.839 | 51% | 0.512 | S | S | * | . | trans | -88.9 | 109 | 171.6 | -64.7 | -178.1 | -177.9 | 177.5 | 0 | 109 | D181 K185 | D181-K183 PolarHBondContact O-N 3.24Å; D181-K183 VanDerWaalsContact O-N 3.14Å; K183-K185 PolarHBondContact O-N 3.44Å | ||
| 184 | T | 63 | Low | 72.2 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | trans | -65 | 129.2 | 169.6 | 49.5 | 0 | 0 | 0 | 0 | 109 | F182 K186 | F182-T184 HydrophobicContact CD1-CG2 4Å; F182-T184 HydrophobicContact CE1-CG2 3.61Å; T184-K186 PolarHBondContact O-N 3.17Å; T184-K186 VanDerWaalsContact O-N 3.08Å | ||
| 185 | K | 56.5 | Low | 70.7 | Confident | 205 Ų | 205 | 107.2 Ų | 107.2 | 89% | 0.891 | 54% | 0.536 | S | S | * | . | trans | -65.2 | 109.3 | 158.8 | -72.6 | -173.9 | 179.2 | -179.3 | 0 | 105.5 | K183 R187 | K183-K185 PolarHBondContact O-N 3.44Å; K185-R187 PolarHBondContact O-N 3.43Å; K185-R187 VanDerWaalsContact O-N 3.11Å | ||
| 186 | K | 48.9 | Very low | 69.1 | Low | 188 Ų | 188 | 113.5 Ų | 113.5 | 82% | 0.817 | 57% | 0.568 | S | S | * | * | trans | -51.5 | 123.2 | 169.9 | -82.2 | -172.8 | 175.6 | -179.1 | 0 | 106.9 | T184 T188 | T184-K186 PolarHBondContact O-N 3.17Å; T184-K186 VanDerWaalsContact O-N 3.08Å; K186-T188 VanDerWaalsContact C-N 3.31Å; K186-T188 PolarHBondContact O-N 2.95Å | ||
| 187 | R | 50 | Low | 67.3 | Low | 237 Ų | 237 | 120.6 Ų | 120.6 | 89% | 0.894 | 60% | 0.603 | S | S | * | * | trans | -61.3 | 103 | 161.8 | -78.8 | -177.4 | 163 | -179.5 | -4.4 | 105.5 | K185 C189 | K185-R187 PolarHBondContact O-N 3.43Å; K185-R187 VanDerWaalsContact O-N 3.11Å; R187-C189 PolarHBondContact O-N 2.98Å | ||
| 188 | T | 42 | Very low | 65.3 | Low | 123 Ų | 123 | 120.2 Ų | 120.2 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | trans | -60 | 99.8 | 158.6 | 38.2 | 0 | 0 | 0 | 0 | 105.5 | K186 T190 | K186-T188 VanDerWaalsContact C-N 3.31Å; K186-T188 PolarHBondContact O-N 2.95Å; T188-T190 PolarHBondContact O-N 3.1Å | ||
| 189 | C | 42.7 | Very low | 62.9 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -70.6 | 90.8 | 167 | -138.7 | 0 | 0 | 0 | 0 | 105.3 | R187 I191 | R187-C189 PolarHBondContact O-N 2.98Å; C189-I191 PolarHBondContact O-N 2.93Å | ||
| 190 | T | 43.2 | Very low | 60.4 | Low | 110 Ų | 110 | 137.2 Ų | 137.2 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | trans | -79.6 | 96.5 | 169.1 | -35.5 | 0 | 0 | 0 | 0 | 105.5 | T188 T192 | T188-T190 PolarHBondContact O-N 3.1Å; T190-T192 PolarHBondContact O-N 3.09Å; T190-T192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | I | 43 | Very low | 57.5 | Low | 162 Ų | 162 | 146.8 Ų | 146.8 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -66.3 | 106.1 | 165.7 | -56.3 | 171.2 | 0 | 0 | 0 | 104.7 | C189 | C189-I191 PolarHBondContact O-N 2.93Š| ||
| 192 | T | 44 | Very low | 54.4 | Low | 190 Ų | 190 | 150.7 Ų | 150.7 | 100% | 1.166 | 76% | 0.763 | S | S | * | * | trans | -132 | 0 | 167.3 | -13.8 | 0 | 0 | 0 | 0 | 107.6 | T190 | T190-T192 PolarHBondContact O-N 3.09Å; T190-T192 VanDerWaalsContact O-N 3.1Å |
Retrieved 192 of 192 residues in 488 ms
(Link to these results)