| 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 | 39.1 | Very low | 76.7 | Confident | 245 Ų | 245 | 107.6 Ų | 107.6 | 100% | 1.207 | 53% | 0.528 | S | S | * | . | 0 | 105.5 | 0 | -68.9 | 175.5 | -171 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.03Š| |||
| 2 | T | 46.6 | Very low | 78.4 | Confident | 141 Ų | 141 | 98.7 Ų | 98.7 | 87% | 0.865 | 48% | 0.484 | S | S | * | . | trans | -64.6 | 119.5 | 174.5 | 31 | 0 | 0 | 0 | 0 | 108 | R4 | T2-R4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 55.3 | Low | 79.9 | Confident | 115 Ų | 115 | 91.2 Ų | 91.2 | 80% | 0.804 | 45% | 0.447 | S | S | * | . | trans | -55 | 110.5 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 108.3 | M1 K5 | M1-S3 PolarHBondContact O-N 3.03Å; S3-K5 PolarHBondContact O-N 2.88Å; S3-K5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | R | 63.8 | Low | 81.1 | Confident | 232 Ų | 232 | 84.6 Ų | 84.6 | 88% | 0.875 | 42% | 0.415 | S | S | * | . | trans | -63.7 | 112 | 170 | -88.6 | -176.9 | 172.9 | 176.3 | -3.4 | 106.8 | T2 K6 | T2-R4 PolarHBondContact O-N 3.27Å; R4-K6 PolarHBondContact O-N 3.2Å | ||
| 5 | K | 75.2 | Confident | 82.2 | Confident | 145 Ų | 145 | 79 Ų | 79 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 123.5 | 175.6 | -167.9 | -178.3 | 179.3 | -168.2 | 0 | 108.3 | S3 V7 E181 | S3-K5 PolarHBondContact O-N 2.88Å; S3-K5 VanDerWaalsContact O-N 3.08Å; K5-V7 PolarHBondContact O-N 3.22Å; K5-E181 IonicContact NZ-OE1 2.68Å; K5-E181 PolarHBondContact NZ-OE1 3.47Å |
| 6 | K | 82.1 | Confident | 83 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 123.4 | 174.2 | -70.5 | -173.4 | 177 | -170.1 | 0 | 108 | R4 | R4-K6 PolarHBondContact O-N 3.2Š|
| 7 | V | 93.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.5 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | K5 L9 V57 T58 L174 E177 | K5-V7 PolarHBondContact O-N 3.22Å; V7-L9 HydrophobicContact CG1-CD2 3.57Å; V7-L9 HydrophobicContact CG1-CG 4.05Å; V7-V57 HydrophobicContact CB-CB 4.29Å; V7-V57 HydrophobicContact CB-CG1 3.97Å; V7-V57 HydrophobicContact CG1-CG1 4.32Å; V7-V57 HydrophobicContact CG2-CG1 4.48Å; V7-T58 PolarHBondContact O-N 3.47Å; V7-L174 HydrophobicContact CG1-CD1 3.88Å; V7-E177 HydrophobicContact CG1-CG 4.27Å |
| 8 | L | 95.6 | Very high | 84.3 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.6 | 173.6 | -174.3 | 148.4 | 0 | 0 | 0 | 108.1 | T58 Q60 | L8-T58 CarbonylContact C-O 3.55Å; L8-T58 WeakPolarHBondContact CA-O 3.35Å; L8-Q60 HydrophobicContact CD2-CB 4.24Å |
| 9 | L | 97.4 | Very high | 85 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.3 | -178.8 | -58.5 | 179.3 | 0 | 0 | 0 | 109.7 | V7 V57 T58 M59 Q60 D82 A173 L174 E177 | V7-L9 HydrophobicContact CG1-CD2 3.57Å; V7-L9 HydrophobicContact CG1-CG 4.05Å; L9-V57 HydrophobicContact CD1-CB 4.04Å; L9-V57 HydrophobicContact CD1-CG1 4.46Å; L9-V57 HydrophobicContact CD1-CG2 3.67Å; L9-V57 HydrophobicContact CG-CB 4.38Å; L9-V57 HydrophobicContact CG-CG2 4.45Å; L9-T58 PolarHBondContact N-O 3.38Å; L9-M59 CarbonylContact O-C 3.26Å; L9-M59 WeakPolarHBondContact O-CA 3.48Å; L9-Q60 PolarHBondContact O-N 3.08Å; L9-D82 WeakPolarHBondContact CA-OD2 3.4Å; L9-A173 HydrophobicContact CB-CB 4.16Å; L9-A173 HydrophobicContact CD1-CB 4.07Å; L9-A173 HydrophobicContact CD2-CB 4.37Å; L9-A173 HydrophobicContact CG-CB 4.43Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.44Å; L9-L174 HydrophobicContact CD2-CD1 4.3Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.16Å |
| 10 | K | 97.3 | Very high | 85.6 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.1 | 179.5 | -176.1 | 172 | 176.2 | -173 | 0 | 110.5 | I12 F77 R79 D82 C83 | K10-I12 HydrophobicContact CG-CD1 4.29Å; K10-F77 WeakPolarHBondContact CE-O 3.34Å; K10-F77 PolarHBondContact NZ-O 3.38Å; K10-R79 PolarHBondContact NZ-O 2.85Å; K10-D82 PolarHBondContact N-OD2 3.22Å; K10-D82 PolarHBondContact O-N 3.47Å; K10-C83 PolarHBondContact O-N 2.94Å |
| 11 | V | 98.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.3 | -179.3 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | M59 Q60 W62 C83 V85 I169 A173 | V11-M59 HydrophobicContact CG2-CE 3.75Å; V11-Q60 PolarHBondContact N-O 3.49Å; V11-W62 PolarHBondContact O-N 3.39Å; V11-C83 WeakPolarHBondContact CA-O 3.29Å; V11-C83 HydrophobicContact CG2-CB 4.43Å; V11-V85 HydrophobicContact CG1-CG2 3.65Å; V11-I169 HydrophobicContact CB-CG2 4.39Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; V11-A173 HydrophobicContact CG2-CB 4.48Å |
| 12 | I | 97.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.1 | 176.9 | -51.5 | -57.1 | 0 | 0 | 0 | 109.8 | K10 L14 W62 T64 Y78 A81 C83 C84 V85 F106 | K10-I12 HydrophobicContact CG-CD1 4.29Å; I12-L14 HydrophobicContact CG2-CD2 3.63Å; I12-L14 HydrophobicContact CG2-CG 3.94Å; I12-W62 HydrophobicContact CD1-CB 3.56Å; I12-W62 HydrophobicContact CD1-CD2 4.45Å; I12-W62 HydrophobicContact CD1-CG 3.64Å; I12-T64 HydrophobicContact CG2-CG2 3.99Å; I12-Y78 HydrophobicContact CG2-CD1 3.98Å; I12-Y78 HydrophobicContact CG2-CE1 4.09Å; I12-A81 HydrophobicContact CD1-CB 4.38Å; I12-A81 HydrophobicContact CG1-CB 3.59Å; I12-C83 PolarHBondContact N-O 3.43Å; I12-C84 CarbonylContact O-C 3.58Å; I12-C84 WeakPolarHBondContact O-CA 3.45Å; I12-V85 PolarHBondContact O-N 3.22Å; I12-F106 HydrophobicContact CB-CE2 4.31Å; I12-F106 HydrophobicContact CG1-CE2 4.19Å |
| 13 | I | 97.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.3 | 173.7 | -50.3 | -179.4 | 0 | 0 | 0 | 109.4 | K21 M25 I61 W62 T64 V85 V87 F166 | I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; I13-M25 HydrophobicContact CD1-CB 4.16Å; I13-I61 HydrophobicContact CD1-CG2 3.52Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; I13-W62 PolarHBondContact N-O 2.88Å; I13-T64 PolarHBondContact O-OG1 2.89Å; I13-V85 WeakPolarHBondContact CA-O 3.41Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.45Å; I13-V85 HydrophobicContact CG2-CB 4.34Å; I13-V85 HydrophobicContact CG2-CG1 4.45Å; I13-V87 HydrophobicContact CG2-CG2 3.47Å; I13-V87 VanDerWaalsContact CG2-CG2 3.47Å; I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.04Å |
| 14 | L | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 163.7 | 178.8 | -57.6 | -174.8 | 0 | 0 | 0 | 111.7 | I12 K21 T64 Y78 V85 L86 V87 W102 F106 | I12-L14 HydrophobicContact CG2-CD2 3.63Å; I12-L14 HydrophobicContact CG2-CG 3.94Å; L14-K21 VanDerWaalsContact C-CD 3.48Å; L14-T64 HydrophobicContact CD2-CG2 3.89Å; L14-T64 VanDerWaalsContact CD2-OG1 3.29Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.25Å; L14-Y78 HydrophobicContact CD1-CE2 4.2Å; L14-Y78 HydrophobicContact CD2-CE1 3.75Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.4Å; L14-V85 PolarHBondContact N-O 3.41Å; L14-L86 HydrophobicContact CB-CD2 4.16Å; L14-V87 PolarHBondContact O-N 3.02Å; L14-W102 HydrophobicContact CB-CD2 4.3Å; L14-W102 HydrophobicContact CB-CE3 3.93Å; L14-W102 HydrophobicContact CB-CZ3 4.42Å; L14-W102 HydrophobicContact CD1-CE3 4.18Å; L14-W102 HydrophobicContact CD2-CE3 4.45Å; L14-W102 HydrophobicContact CD2-CZ3 4.3Å; L14-W102 HydrophobicContact CG-CE3 4.42Å; L14-F106 HydrophobicContact CD1-CB 3.76Å; L14-F106 HydrophobicContact CD1-CD2 4Å; L14-F106 HydrophobicContact CD1-CG 4.28Å |
| 15 | G | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 139.5 | 166.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K21 G66 V87 W102 | G15-K21 PolarHBondContact O-NZ 3.29Å; G15-G66 WeakPolarHBondContact O-CA 3.44Å; G15-V87 WeakPolarHBondContact CA-O 3.3Å; G15-W102 VanDerWaalsContact C-CE2 3.43Å; G15-W102 VanDerWaalsContact C-CZ2 3.4Å; G15-W102 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 16 | D | 95.8 | Very high | 96 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | trans | -59.8 | 163.5 | -174.6 | -74.2 | 14.8 | 0 | 0 | 0 | 113.4 | G18 V19 K21 T95 T98 W102 | D16-G18 PolarHBondContact O-N 3.43Å; D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.46Å; D16-K21 PolarHBondContact O-NZ 3.47Å; D16-T95 HydrophobicContact CB-CG2 3.92Å; D16-T95 WeakPolarHBondContact OD2-CA 3.33Å; D16-T98 VanDerWaalsContact CG-OG1 3.24Å; D16-T98 WeakPolarHBondContact OD1-CB 3.47Å; D16-T98 PolarHBondContact OD1-OG1 2.55Å; D16-T98 PolarHBondContact OD2-OG1 3.15Å; D16-W102 PolarHBondContact OD1-NE1 2.97Å | ||
| 17 | S | 94.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 34% | 0.336 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 134.4 | 171.7 | -169.9 | 0 | 0 | 0 | 0 | 111 | V19 Y37 G66 Q67 | S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 2.77Å; S17-Y37 PolarHBondContact OG-OH 3.45Å; S17-G66 PolarHBondContact N-O 2.98Å; S17-Q67 WeakPolarHBondContact OG-CG 3.33Å |
| 18 | G | 94.5 | Very high | 97 | Very high | 33 Ų | 33 | 20 Ų | 20 | 34% | 0.34 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D16 G20 K126 | D16-G18 PolarHBondContact O-N 3.43Å; G18-G20 PolarHBondContact O-N 3.35Å; G18-K126 VanDerWaalsContact O-CE 3.26Å; G18-K126 WeakPolarHBondContact O-CE 3.43Å; G18-K126 PolarHBondContact O-NZ 2.96Å |
| 19 | V | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -67.9 | -19.4 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | D16 S17 K21 V87 D89 T95 N125 K126 | D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.46Å; S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 2.77Å; V19-K21 HydrophobicContact CG2-CD 4.42Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.25Å; V19-V87 HydrophobicContact CG2-CB 3.94Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; V19-D89 HydrophobicContact CB-CB 4.4Å; V19-D89 HydrophobicContact CG1-CB 4.27Å; V19-T95 HydrophobicContact CG1-CG2 3.77Å; V19-N125 PolarHBondContact O-ND2 2.83Å; V19-K126 WeakPolarHBondContact O-CE 3.33Å |
| 20 | G | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 107.2 | 23.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G18 S23 L24 | G18-G20 PolarHBondContact O-N 3.35Å; G20-S23 WeakPolarHBondContact O-CB 3.13Å; G20-S23 PolarHBondContact O-N 3.01Å; G20-L24 WeakPolarHBondContact O-CG 3.28Å; G20-L24 PolarHBondContact O-N 2.92Å |
| 21 | K | 97.2 | Very high | 97 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.1 | -56.4 | 176.4 | -57 | -171.4 | -60.7 | -75.8 | 0 | 112.9 | I13 L14 G15 D16 V19 S23 L24 M25 D63 T64 V87 | I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; L14-K21 VanDerWaalsContact C-CD 3.48Å; G15-K21 PolarHBondContact O-NZ 3.29Å; D16-K21 PolarHBondContact O-NZ 3.47Å; V19-K21 HydrophobicContact CG2-CD 4.42Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; K21-L24 PolarHBondContact O-N 2.93Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-M25 PolarHBondContact O-N 2.64Å; K21-D63 WeakPolarHBondContact CB-OD1 3.32Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.25Å |
| 22 | T | 96.6 | Very high | 96.8 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58 | -38.5 | 176.3 | -39.6 | 0 | 0 | 0 | 0 | 112.5 | N26 T40 D63 | T22-N26 WeakPolarHBondContact O-CB 3.46Å; T22-N26 PolarHBondContact O-N 3.29Å; T22-N26 PolarHBondContact O-ND2 3.38Å; T22-T40 PolarHBondContact OG1-OG1 2.91Å; T22-T40 VanDerWaalsContact OG1-OG1 3.08Å; T22-D63 WeakPolarHBondContact CA-OD2 3.49Å; T22-D63 VanDerWaalsContact CB-OD2 3.27Å; T22-D63 WeakPolarHBondContact CB-OD2 3.31Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.48Å; T22-D63 PolarHBondContact N-OD1 3.02Å; T22-D63 PolarHBondContact OG1-OD1 2.92Å; T22-D63 PolarHBondContact OG1-OD2 3.43Å |
| 23 | S | 97.6 | Very high | 96.6 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.1 | -41.1 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | G20 K21 Q27 | G20-S23 WeakPolarHBondContact O-CB 3.13Å; G20-S23 PolarHBondContact O-N 3.01Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; S23-Q27 WeakPolarHBondContact O-CB 3.44Å; S23-Q27 PolarHBondContact O-N 3.15Å |
| 24 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 175.2 | -75.5 | 165.4 | 0 | 0 | 0 | 111.2 | G20 K21 Q27 Y28 V87 L123 N125 A156 V162 F166 | G20-L24 WeakPolarHBondContact O-CG 3.28Å; G20-L24 PolarHBondContact O-N 2.92Å; K21-L24 PolarHBondContact O-N 2.93Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-Q27 PolarHBondContact O-N 2.9Å; L24-Y28 WeakPolarHBondContact O-CB 3.38Å; L24-Y28 PolarHBondContact O-N 3.12Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.12Å; L24-L123 HydrophobicContact CD1-CD1 3.9Å; L24-N125 HydrophobicContact CD1-CB 4.24Å; L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.03Å; L24-V162 HydrophobicContact CD2-CG2 4.02Å; L24-F166 HydrophobicContact CB-CE2 4.48Å |
| 25 | M | 97.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 176.3 | -176.5 | -178.1 | 66.2 | 0 | 0 | 111.1 | I13 K21 Q27 Y28 V29 L46 I61 D63 | I13-M25 HydrophobicContact CD1-CB 4.16Å; K21-M25 PolarHBondContact O-N 2.64Å; M25-Q27 PolarHBondContact O-N 3.06Å; M25-Y28 PolarHBondContact O-N 3.48Å; M25-V29 WeakPolarHBondContact O-CB 3.34Å; M25-V29 WeakPolarHBondContact O-CG2 3.27Å; M25-V29 PolarHBondContact O-N 2.98Å; M25-L46 HydrophobicContact CE-CD1 3.97Å; M25-L46 HydrophobicContact CE-CG 3.93Å; M25-L46 HydrophobicContact CG-CB 4.35Å; M25-L46 HydrophobicContact CG-CD1 4.12Å; M25-L46 HydrophobicContact CG-CG 4.42Å; M25-L46 HydrophobicContact SD-CB 4.13Å; M25-L46 HydrophobicContact SD-CD1 4.29Å; M25-L46 HydrophobicContact SD-CG 4.05Å; M25-I61 HydrophobicContact CB-CG2 4.47Å; M25-I61 HydrophobicContact CG-CB 4.32Å; M25-I61 HydrophobicContact CG-CG2 3.86Å; M25-I61 HydrophobicContact SD-CB 4.42Å; M25-I61 HydrophobicContact SD-CG2 4.15Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; M25-D63 HydrophobicContact CE-CB 3.55Å; M25-D63 HydrophobicContact SD-CB 3.71Å |
| 26 | N | 96.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 178.9 | -82.6 | -63.7 | 0 | 0 | 0 | 112.9 | T22 Y28 N30 K31 K32 | T22-N26 WeakPolarHBondContact O-CB 3.46Å; T22-N26 PolarHBondContact O-N 3.29Å; T22-N26 PolarHBondContact O-ND2 3.38Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; N26-N30 CarbonylContact O-C 3.57Å; N26-N30 WeakPolarHBondContact O-CA 3.44Å; N26-N30 WeakPolarHBondContact O-CB 3.48Å; N26-N30 PolarHBondContact O-N 3.35Å; N26-N30 PolarHBondContact OD1-ND2 3.38Å; N26-N30 VanDerWaalsContact OD1-ND2 3.07Å; N26-K31 PolarHBondContact O-N 3.5Å; N26-K32 CarbonylContact C-O 3.45Å |
| 27 | Q | 98 | Very high | 94.6 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.7 | -177.1 | 66.2 | -30.2 | 0 | 0 | 111.3 | S23 L24 M25 K31 K32 A156 A159 V162 | S23-Q27 WeakPolarHBondContact O-CB 3.44Å; S23-Q27 PolarHBondContact O-N 3.15Å; L24-Q27 PolarHBondContact O-N 2.9Å; M25-Q27 PolarHBondContact O-N 3.06Å; Q27-K31 WeakPolarHBondContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CD 3.37Å; Q27-K31 PolarHBondContact O-N 3.09Å; Q27-K32 PolarHBondContact N-O 3.08Å; Q27-K32 VanDerWaalsContact OE1-N 3.15Å; Q27-A156 VanDerWaalsContact CG-O 3.26Å; Q27-A156 WeakPolarHBondContact CG-O 3.28Å; Q27-A156 PolarHBondContact NE2-O 3.17Å; Q27-A159 HydrophobicContact CG-CB 4.4Å; Q27-V162 HydrophobicContact CG-CG1 4.42Å; Q27-V162 HydrophobicContact CG-CG2 4.3Å |
| 28 | Y | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -46.7 | 176.9 | 179 | -118 | 0 | 0 | 0 | 112.5 | L24 M25 N26 K48 M59 I61 V162 E163 F166 | L24-Y28 WeakPolarHBondContact O-CB 3.38Å; L24-Y28 PolarHBondContact O-N 3.12Å; M25-Y28 PolarHBondContact O-N 3.48Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.45Å; Y28-K48 HydrophobicContact CE1-CD 3.38Å; Y28-K48 HydrophobicContact CE1-CG 4.49Å; Y28-K48 HydrophobicContact CE2-CD 4.19Å; Y28-K48 HydrophobicContact CG-CD 4.41Å; Y28-K48 PolarHBondContact O-NZ 3.28Å; Y28-M59 HydrophobicContact CE1-SD 4.14Å; Y28-I61 HydrophobicContact CD1-CD1 3.55Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; Y28-V162 HydrophobicContact CD2-CG1 4.44Å; Y28-E163 VanDerWaalsContact CE2-OE1 3.32Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.47Å; Y28-F166 HydrophobicContact CD1-CB 4Å; Y28-F166 AromaticContact CD1-CD1 3.46Å; Y28-F166 HydrophobicContact CD1-CD1 3.46Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.46Å; Y28-F166 HydrophobicContact CD1-CD2 4.08Å; Y28-F166 AromaticContact CD1-CE1 3.88Å; Y28-F166 HydrophobicContact CD1-CE1 3.88Å; Y28-F166 HydrophobicContact CD1-CE2 4.43Å; Y28-F166 AromaticContact CD1-CG 3.57Å; Y28-F166 HydrophobicContact CD1-CG 3.57Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.54Å; Y28-F166 HydrophobicContact CD2-CD1 4.43Å; Y28-F166 AromaticContact CD2-CD2 3.85Å; Y28-F166 HydrophobicContact CD2-CD2 3.85Å; Y28-F166 AromaticContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CE1-CB 3.73Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.37Å; Y28-F166 AromaticContact CE1-CG 3.76Å; Y28-F166 HydrophobicContact CE1-CG 3.76Å; Y28-F166 HydrophobicContact CE2-CB 3.26Å; Y28-F166 HydrophobicContact CE2-CD2 4.46Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.9Å; Y28-F166 HydrophobicContact CG-CD1 3.9Å; Y28-F166 AromaticContact CG-CD2 3.62Å; Y28-F166 HydrophobicContact CG-CD2 3.62Å; Y28-F166 HydrophobicContact CG-CE1 4.33Å; Y28-F166 HydrophobicContact CG-CE2 4.07Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.4Å; Y28-F166 AromaticContact CZ-CG 3.92Å |
| 29 | V | 97.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82.1 | -52.1 | -174.1 | -179 | 0 | 0 | 0 | 0 | 112 | M25 L46 K48 I61 | M25-V29 WeakPolarHBondContact O-CB 3.34Å; M25-V29 WeakPolarHBondContact O-CG2 3.27Å; M25-V29 PolarHBondContact O-N 2.98Å; V29-L46 HydrophobicContact CB-CB 4.45Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.13Å; V29-L46 HydrophobicContact CG2-CB 4.02Å; V29-L46 HydrophobicContact CG2-CD1 4.27Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; V29-I61 HydrophobicContact CG2-CD1 3.91Å |
| 30 | N | 96.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -101.9 | -6.5 | -169.2 | -64.6 | -39.1 | 0 | 0 | 0 | 113.6 | N26 K32 | N26-N30 CarbonylContact O-C 3.57Å; N26-N30 WeakPolarHBondContact O-CA 3.44Å; N26-N30 WeakPolarHBondContact O-CB 3.48Å; N26-N30 PolarHBondContact O-N 3.35Å; N26-N30 PolarHBondContact OD1-ND2 3.38Å; N26-N30 VanDerWaalsContact OD1-ND2 3.07Å; N30-K32 HydrophobicContact CB-CB 4.22Å; N30-K32 HydrophobicContact CB-CD 4.31Å; N30-K32 HydrophobicContact CB-CG 4.35Å; N30-K32 WeakPolarHBondContact O-CG 3.48Å; N30-K32 PolarHBondContact O-N 3.35Å |
| 31 | K | 96.4 | Very high | 91.8 | Very high | 124 Ų | 124 | 68.4 Ų | 68.4 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 52.6 | 37.3 | -172.3 | -54.6 | -68.3 | 168.5 | -171.7 | 0 | 111.8 | N26 Q27 E163 | N26-K31 PolarHBondContact O-N 3.5Å; Q27-K31 WeakPolarHBondContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CD 3.37Å; Q27-K31 PolarHBondContact O-N 3.09Å; K31-E163 IonicContact NZ-OE2 3.6Å; K31-E163 PolarHBondContact NZ-OE2 3.3Å |
| 32 | K | 93.9 | Very high | 91 | Very high | 145 Ų | 145 | 68.3 Ų | 68.3 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | trans | -125.7 | 138.8 | -177.9 | -74.8 | 177.3 | -173.5 | 179.2 | 0 | 110.7 | N26 Q27 N30 | N26-K32 CarbonylContact C-O 3.45Å; Q27-K32 PolarHBondContact N-O 3.08Å; Q27-K32 VanDerWaalsContact OE1-N 3.15Å; N30-K32 HydrophobicContact CB-CB 4.22Å; N30-K32 HydrophobicContact CB-CD 4.31Å; N30-K32 HydrophobicContact CB-CG 4.35Å; N30-K32 WeakPolarHBondContact O-CG 3.48Å; N30-K32 PolarHBondContact O-N 3.35Å | ||
| 33 | F | 94.4 | Very high | 90.5 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 34% | 0.342 | 34% | 0.342 | S | S | . | . | trans | -126.5 | 145.4 | 171.2 | 178.1 | -97 | 0 | 0 | 0 | 110 | N35 A156 K157 | F33-N35 VanDerWaalsContact CE1-OD1 3.29Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.32Å; F33-A156 HydrophobicContact CD2-CB 4.33Å; F33-A156 HydrophobicContact CE2-CB 4.46Å; F33-K157 HydrophobicContact CD1-CB 4.33Å; F33-K157 HydrophobicContact CD1-CG 4.05Å; F33-K157 HydrophobicContact CD2-CB 4.29Å; F33-K157 HydrophobicContact CE1-CB 4.01Å; F33-K157 HydrophobicContact CE1-CD 4.48Å; F33-K157 HydrophobicContact CE1-CG 3.7Å; F33-K157 HydrophobicContact CE2-CB 3.99Å; F33-K157 HydrophobicContact CG-CB 4.46Å; F33-K157 HydrophobicContact CZ-CB 3.84Å; F33-K157 HydrophobicContact CZ-CG 4Å | ||
| 34 | S | 91 | Very high | 90 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 51% | 0.51 | 36% | 0.356 | S | S | . | . | trans | -131.6 | 134.2 | 175 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | Q36 | S34-Q36 PolarHBondContact OG-N 3.45Å; S34-Q36 VanDerWaalsContact OG-N 3.14Å | ||
| 35 | N | 86.1 | Confident | 89.7 | Confident | 139 Ų | 139 | 74.2 Ų | 74.2 | 74% | 0.743 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -74.5 | -16.4 | 171.8 | -71.3 | -52.2 | 0 | 0 | 0 | 112.5 | F33 Y37 | F33-N35 VanDerWaalsContact CE1-OD1 3.29Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.32Å; N35-Y37 PolarHBondContact O-N 3.39Å |
| 36 | Q | 85.4 | Confident | 89.7 | Confident | 131 Ų | 131 | 76 Ų | 76 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -75.4 | 110.9 | -179.8 | -169.9 | -179.4 | 26 | 0 | 0 | 109.6 | S34 K38 | S34-Q36 PolarHBondContact OG-N 3.45Å; S34-Q36 VanDerWaalsContact OG-N 3.14Å; Q36-K38 PolarHBondContact O-N 3.05Å |
| 37 | Y | 81.7 | Confident | 89.7 | Confident | 137 Ų | 137 | 77.4 Ų | 77.4 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | trans | -68.2 | 125 | 171.1 | 177.7 | -104.1 | 0 | 0 | 0 | 110.3 | S17 N35 A39 | S17-Y37 PolarHBondContact OG-OH 3.45Å; N35-Y37 PolarHBondContact O-N 3.39Å; Y37-A39 HydrophobicContact CE1-CB 4.24Å | ||
| 38 | K | 82.1 | Confident | 89.6 | Confident | 148 Ų | 148 | 78.5 Ų | 78.5 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | trans | -126.9 | 126.6 | 167.1 | -67.9 | -174.3 | 178.8 | -178.4 | 0 | 107.4 | Q36 T40 | Q36-K38 PolarHBondContact O-N 3.05Å; K38-T40 PolarHBondContact O-N 3.44Å | ||
| 39 | A | 82.6 | Confident | 89.6 | Confident | 43 Ų | 43 | 84 Ų | 84 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | trans | -70.2 | 129.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y37 | Y37-A39 HydrophobicContact CE1-CB 4.24Š| ||
| 40 | T | 80.8 | Confident | 89.5 | Confident | 30 Ų | 30 | 83 Ų | 83 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | trans | -69.4 | 129.9 | 170.2 | -50.1 | 0 | 0 | 0 | 0 | 109.2 | T22 K38 D63 A65 | T22-T40 PolarHBondContact OG1-OG1 2.91Å; T22-T40 VanDerWaalsContact OG1-OG1 3.08Å; K38-T40 PolarHBondContact O-N 3.44Å; T40-D63 PolarHBondContact OG1-OD2 2.88Å; T40-D63 VanDerWaalsContact OG1-OD2 3.08Å; T40-A65 WeakPolarHBondContact O-CB 3.26Å | ||
| 41 | I | 80.3 | Confident | 89.4 | Confident | 121 Ų | 121 | 84.3 Ų | 84.3 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | trans | -105.9 | 120.7 | 174.5 | -59.3 | 176.1 | 0 | 0 | 0 | 107.2 | F70 | I41-F70 HydrophobicContact CG1-CE2 4.49Š| ||
| 42 | G | 80.5 | Confident | 89.3 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 71.9 | -127 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A65 | G42-A65 WeakPolarHBondContact O-CB 3.39Å; G42-A65 PolarHBondContact O-N 3.04Å |
| 43 | A | 84.8 | Confident | 89.1 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | W62 D63 T64 F77 | A43-W62 HydrophobicContact CB-CE3 4.16Å; A43-D63 VanDerWaalsContact CA-O 3.28Å; A43-D63 WeakPolarHBondContact CA-O 3.47Å; A43-T64 HydrophobicContact CB-CG2 4.4Å; A43-F77 HydrophobicContact CB-CD2 3.56Å; A43-F77 HydrophobicContact CB-CE2 3.87Å; A43-F77 HydrophobicContact CB-CG 4.36Å |
| 44 | D | 87.6 | Confident | 88.8 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 159.4 | 173 | -164.8 | 7.3 | 0 | 0 | 0 | 108.5 | W62 D63 | D44-W62 CarbonylContact O-C 3.58Å; D44-W62 WeakPolarHBondContact O-CA 2.94Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 2.98Å |
| 45 | F | 92.6 | Very high | 88.8 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 36% | 0.36 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148 | 178.1 | 72.8 | -92.8 | 0 | 0 | 0 | 113.1 | T47 Q60 I61 W62 | F45-T47 HydrophobicContact CD2-CG2 4.22Å; F45-T47 HydrophobicContact CE2-CG2 4.13Å; F45-Q60 HydrophobicContact CB-CG 4.12Å; F45-Q60 HydrophobicContact CD2-CG 3.42Å; F45-Q60 VanDerWaalsContact CD2-CG 3.42Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 HydrophobicContact CG-CG 3.84Å; F45-I61 CarbonylContact C-O 3.56Å; F45-I61 WeakPolarHBondContact CA-O 3.25Å; F45-I61 WeakPolarHBondContact CB-O 3.26Å; F45-W62 HydrophobicContact CB-CD2 3.82Å; F45-W62 HydrophobicContact CB-CE3 4.16Å; F45-W62 HydrophobicContact CB-CG 3.98Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.22Å; F45-W62 AromaticContact CD1-CH2 3.67Å; F45-W62 HydrophobicContact CD1-CH2 3.67Å; F45-W62 AromaticContact CD1-CZ2 3.79Å; F45-W62 HydrophobicContact CD1-CZ2 3.79Å; F45-W62 AromaticContact CD1-CZ3 3.89Å; F45-W62 HydrophobicContact CD1-CZ3 3.89Å; F45-W62 HydrophobicContact CE1-CH2 4.12Å; F45-W62 HydrophobicContact CE1-CZ2 4.27Å; F45-W62 HydrophobicContact CG-CD2 4.38Å; F45-W62 HydrophobicContact CG-CZ2 4.3Å |
| 46 | L | 96.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 79 Ų | 79 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.2 | 167.8 | -66.9 | -177.9 | 0 | 0 | 0 | 110 | M25 V29 I61 | M25-L46 HydrophobicContact CE-CD1 3.97Å; M25-L46 HydrophobicContact CE-CG 3.93Å; M25-L46 HydrophobicContact CG-CB 4.35Å; M25-L46 HydrophobicContact CG-CD1 4.12Å; M25-L46 HydrophobicContact CG-CG 4.42Å; M25-L46 HydrophobicContact SD-CB 4.13Å; M25-L46 HydrophobicContact SD-CD1 4.29Å; M25-L46 HydrophobicContact SD-CG 4.05Å; V29-L46 HydrophobicContact CB-CB 4.45Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.13Å; V29-L46 HydrophobicContact CG2-CB 4.02Å; V29-L46 HydrophobicContact CG2-CD1 4.27Å; L46-I61 PolarHBondContact N-O 2.88Å; L46-I61 PolarHBondContact O-N 3.36Å |
| 47 | T | 97 | Very high | 89.7 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.1 | 173.7 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | F45 M59 Q60 | F45-T47 HydrophobicContact CD2-CG2 4.22Å; F45-T47 HydrophobicContact CE2-CG2 4.13Å; T47-M59 CarbonylContact C-O 3.51Å; T47-M59 VanDerWaalsContact CA-O 3.22Å; T47-M59 WeakPolarHBondContact CA-O 3.41Å; T47-Q60 HydrophobicContact CG2-CG 4.36Å |
| 48 | K | 96.7 | Very high | 90.4 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 130.1 | 171.7 | -166.8 | -173.5 | 179.2 | -177.3 | 0 | 109.6 | Y28 V29 M59 E163 | Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.45Å; Y28-K48 HydrophobicContact CE1-CD 3.38Å; Y28-K48 HydrophobicContact CE1-CG 4.49Å; Y28-K48 HydrophobicContact CE2-CD 4.19Å; Y28-K48 HydrophobicContact CG-CD 4.41Å; Y28-K48 PolarHBondContact O-NZ 3.28Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; K48-M59 PolarHBondContact N-O 3.28Å; K48-M59 PolarHBondContact O-N 3.43Å; K48-E163 IonicContact NZ-OE1 2.75Å; K48-E163 PolarHBondContact NZ-OE1 3.4Å; K48-E163 IonicContact NZ-OE2 3.3Å |
| 49 | E | 96.9 | Very high | 91.2 | Very high | 116 Ų | 116 | 60.7 Ų | 60.7 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.1 | 167.9 | -66.5 | -170.4 | 160.2 | 0 | 0 | 109.6 | L56 V57 | E49-L56 HydrophobicContact CB-CD1 4.2Å; E49-V57 WeakPolarHBondContact CA-O 3.38Å |
| 50 | V | 95.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.8 | -179.4 | 62.1 | 0 | 0 | 0 | 0 | 109.6 | V52 V57 M59 A170 | V50-V52 HydrophobicContact CG1-CG2 3.96Å; V50-V52 HydrophobicContact CG2-CG2 4.21Å; V50-V57 HydrophobicContact CG1-CG2 3.44Å; V50-V57 VanDerWaalsContact CG1-CG2 3.44Å; V50-V57 PolarHBondContact N-O 3.31Å; V50-V57 PolarHBondContact O-N 3.38Å; V50-M59 HydrophobicContact CB-SD 4.47Å; V50-M59 HydrophobicContact CG1-CG 3.66Å; V50-M59 HydrophobicContact CG1-SD 3.66Å; V50-A170 HydrophobicContact CG1-CB 4.12Å |
| 51 | M | 94.8 | Very high | 92.7 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.7 | 170.2 | -72.7 | -65.1 | -63.8 | 0 | 0 | 108.8 | L56 | M51-L56 HydrophobicContact CG-CD1 4.15Å; M51-L56 HydrophobicContact SD-CB 3.64Å; M51-L56 HydrophobicContact SD-CD1 3.65Å; M51-L56 HydrophobicContact SD-CG 4.24Å |
| 52 | V | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.5 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | V50 D54 R55 V57 A170 R171 L174 | V50-V52 HydrophobicContact CG1-CG2 3.96Å; V50-V52 HydrophobicContact CG2-CG2 4.21Å; V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.03Å; V52-R55 PolarHBondContact N-O 3.36Å; V52-R55 WeakPolarHBondContact O-CB 3.43Å; V52-R55 PolarHBondContact O-N 3.23Å; V52-V57 HydrophobicContact CG2-CG2 3.92Å; V52-A170 HydrophobicContact CG2-CB 3.54Å; V52-R171 HydrophobicContact CG1-CB 3.95Å; V52-R171 HydrophobicContact CG1-CG 4.27Å; V52-L174 HydrophobicContact CB-CD2 4.19Å; V52-L174 HydrophobicContact CG1-CD2 3.96Å |
| 53 | D | 89 | Confident | 94 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 58% | 0.578 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 51 | 177.7 | -50.4 | -29.2 | 0 | 0 | 0 | 112.1 | R55 R171 | D53-R55 PolarHBondContact O-N 3.1Å; D53-R171 IonicContact OD1-CZ 3.98Å; D53-R171 IonicContact OD1-NE 3.43Å; D53-R171 PolarHBondContact OD1-NE 3.1Å; D53-R171 IonicContact OD1-NH2 3.56Å; D53-R171 IonicContact OD2-NE 3.29Å; D53-R171 PolarHBondContact OD2-NE 2.91Å |
| 54 | D | 88.4 | Confident | 94.3 | Very high | 150 Ų | 150 | 52.5 Ų | 52.5 | 80% | 0.802 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 9.6 | -177.3 | -58.7 | -43.1 | 0 | 0 | 0 | 116.9 | V52 | V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.03Å |
| 55 | R | 91.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.8 | 171.6 | -162 | 174.9 | -175.5 | -176.2 | -1.2 | 110.3 | V52 D53 V57 L174 | V52-R55 PolarHBondContact N-O 3.36Å; V52-R55 WeakPolarHBondContact O-CB 3.43Å; V52-R55 PolarHBondContact O-N 3.23Å; D53-R55 PolarHBondContact O-N 3.1Å; R55-V57 HydrophobicContact CB-CG1 4.42Å; R55-V57 HydrophobicContact CG-CG1 4.08Å; R55-V57 PolarHBondContact O-N 3.46Å; R55-L174 HydrophobicContact CB-CD2 4.43Å |
| 56 | L | 94 | Very high | 93.3 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.1 | 170 | -172.7 | 66.3 | 0 | 0 | 0 | 109 | E49 M51 | E49-L56 HydrophobicContact CB-CD1 4.2Å; M51-L56 HydrophobicContact CG-CD1 4.15Å; M51-L56 HydrophobicContact SD-CB 3.64Å; M51-L56 HydrophobicContact SD-CD1 3.65Å; M51-L56 HydrophobicContact SD-CG 4.24Å |
| 57 | V | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.9 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | V7 L9 E49 V50 V52 R55 L174 | V7-V57 HydrophobicContact CB-CB 4.29Å; V7-V57 HydrophobicContact CB-CG1 3.97Å; V7-V57 HydrophobicContact CG1-CG1 4.32Å; V7-V57 HydrophobicContact CG2-CG1 4.48Å; L9-V57 HydrophobicContact CD1-CB 4.04Å; L9-V57 HydrophobicContact CD1-CG1 4.46Å; L9-V57 HydrophobicContact CD1-CG2 3.67Å; L9-V57 HydrophobicContact CG-CB 4.38Å; L9-V57 HydrophobicContact CG-CG2 4.45Å; E49-V57 WeakPolarHBondContact CA-O 3.38Å; V50-V57 HydrophobicContact CG1-CG2 3.44Å; V50-V57 VanDerWaalsContact CG1-CG2 3.44Å; V50-V57 PolarHBondContact N-O 3.31Å; V50-V57 PolarHBondContact O-N 3.38Å; V52-V57 HydrophobicContact CG2-CG2 3.92Å; R55-V57 HydrophobicContact CB-CG1 4.42Å; R55-V57 HydrophobicContact CG-CG1 4.08Å; R55-V57 PolarHBondContact O-N 3.46Å; V57-L174 HydrophobicContact CG1-CD1 4.01Å; V57-L174 HydrophobicContact CG1-CD2 4.22Å |
| 58 | T | 97.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 112.6 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | V7 L8 L9 | V7-T58 PolarHBondContact O-N 3.47Å; L8-T58 CarbonylContact C-O 3.55Å; L8-T58 WeakPolarHBondContact CA-O 3.35Å; L9-T58 PolarHBondContact N-O 3.38Å |
| 59 | M | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.2 | 171.7 | -64.1 | 178.7 | 81.1 | 0 | 0 | 109.8 | L9 V11 Y28 T47 K48 V50 I61 F166 I169 A170 | L9-M59 CarbonylContact O-C 3.26Å; L9-M59 WeakPolarHBondContact O-CA 3.48Å; V11-M59 HydrophobicContact CG2-CE 3.75Å; Y28-M59 HydrophobicContact CE1-SD 4.14Å; T47-M59 CarbonylContact C-O 3.51Å; T47-M59 VanDerWaalsContact CA-O 3.22Å; T47-M59 WeakPolarHBondContact CA-O 3.41Å; K48-M59 PolarHBondContact N-O 3.28Å; K48-M59 PolarHBondContact O-N 3.43Å; V50-M59 HydrophobicContact CB-SD 4.47Å; V50-M59 HydrophobicContact CG1-CG 3.66Å; V50-M59 HydrophobicContact CG1-SD 3.66Å; M59-I61 HydrophobicContact CB-CD1 4.44Å; M59-I61 HydrophobicContact CB-CG1 4.08Å; M59-F166 HydrophobicContact CE-CD1 4.23Å; M59-I169 HydrophobicContact CE-CG2 3.91Å; M59-A170 HydrophobicContact CE-CB 3.86Å; M59-A170 HydrophobicContact CG-CB 4.36Å; M59-A170 HydrophobicContact SD-CB 3.59Å; M59-A170 VanDerWaalsContact SD-CB 3.59Å |
| 60 | Q | 97.8 | Very high | 88.9 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 105.8 | 165.2 | -168.6 | -174.7 | 45.3 | 0 | 0 | 108.2 | L8 L9 V11 F45 T47 | L8-Q60 HydrophobicContact CD2-CB 4.24Å; L9-Q60 PolarHBondContact O-N 3.08Å; V11-Q60 PolarHBondContact N-O 3.49Å; F45-Q60 HydrophobicContact CB-CG 4.12Å; F45-Q60 HydrophobicContact CD2-CG 3.42Å; F45-Q60 VanDerWaalsContact CD2-CG 3.42Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 HydrophobicContact CG-CG 3.84Å; T47-Q60 HydrophobicContact CG2-CG 4.36Å |
| 61 | I | 97.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112 | -172.4 | -53.5 | 167.5 | 0 | 0 | 0 | 108.1 | I13 M25 Y28 V29 F45 L46 M59 F166 | I13-I61 HydrophobicContact CD1-CG2 3.52Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; M25-I61 HydrophobicContact CB-CG2 4.47Å; M25-I61 HydrophobicContact CG-CB 4.32Å; M25-I61 HydrophobicContact CG-CG2 3.86Å; M25-I61 HydrophobicContact SD-CB 4.42Å; M25-I61 HydrophobicContact SD-CG2 4.15Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; Y28-I61 HydrophobicContact CD1-CD1 3.55Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; V29-I61 HydrophobicContact CG2-CD1 3.91Å; F45-I61 CarbonylContact C-O 3.56Å; F45-I61 WeakPolarHBondContact CA-O 3.25Å; F45-I61 WeakPolarHBondContact CB-O 3.26Å; L46-I61 PolarHBondContact N-O 2.88Å; L46-I61 PolarHBondContact O-N 3.36Å; M59-I61 HydrophobicContact CB-CD1 4.44Å; M59-I61 HydrophobicContact CB-CG1 4.08Å; I61-F166 HydrophobicContact CD1-CD1 4.1Å; I61-F166 HydrophobicContact CD1-CE1 3.81Å; I61-F166 HydrophobicContact CG1-CE1 4.39Å; I61-F166 HydrophobicContact CG2-CE1 4.02Å |
| 62 | W | 95.8 | Very high | 86.7 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.1 | -179 | -66.6 | 75.9 | 0 | 0 | 0 | 110.4 | V11 I12 I13 A43 D44 F45 F77 | V11-W62 PolarHBondContact O-N 3.39Å; I12-W62 HydrophobicContact CD1-CB 3.56Å; I12-W62 HydrophobicContact CD1-CD2 4.45Å; I12-W62 HydrophobicContact CD1-CG 3.64Å; I13-W62 PolarHBondContact N-O 2.88Å; A43-W62 HydrophobicContact CB-CE3 4.16Å; D44-W62 CarbonylContact O-C 3.58Å; D44-W62 WeakPolarHBondContact O-CA 2.94Å; F45-W62 HydrophobicContact CB-CD2 3.82Å; F45-W62 HydrophobicContact CB-CE3 4.16Å; F45-W62 HydrophobicContact CB-CG 3.98Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.22Å; F45-W62 AromaticContact CD1-CH2 3.67Å; F45-W62 HydrophobicContact CD1-CH2 3.67Å; F45-W62 AromaticContact CD1-CZ2 3.79Å; F45-W62 HydrophobicContact CD1-CZ2 3.79Å; F45-W62 AromaticContact CD1-CZ3 3.89Å; F45-W62 HydrophobicContact CD1-CZ3 3.89Å; F45-W62 HydrophobicContact CE1-CH2 4.12Å; F45-W62 HydrophobicContact CE1-CZ2 4.27Å; F45-W62 HydrophobicContact CG-CD2 4.38Å; F45-W62 HydrophobicContact CG-CZ2 4.3Å; W62-F77 HydrophobicContact CD2-CB 4.33Å; W62-F77 HydrophobicContact CE3-CB 3.78Å; W62-F77 HydrophobicContact CE3-CD1 4.01Å; W62-F77 HydrophobicContact CE3-CD2 4.43Å; W62-F77 AromaticContact CE3-CG 3.81Å; W62-F77 HydrophobicContact CE3-CG 3.81Å; W62-F77 HydrophobicContact CH2-CB 4.39Å; W62-F77 AromaticContact CH2-CD1 3.34Å; W62-F77 HydrophobicContact CH2-CD1 3.34Å; W62-F77 AromaticContact CH2-CE1 3.8Å; W62-F77 HydrophobicContact CH2-CE1 3.8Å; W62-F77 HydrophobicContact CH2-CG 4.03Å; W62-F77 HydrophobicContact CZ2-CD1 4.34Å; W62-F77 HydrophobicContact CZ3-CB 3.83Å; W62-F77 AromaticContact CZ3-CD1 3.14Å; W62-F77 HydrophobicContact CZ3-CD1 3.14Å; W62-F77 HydrophobicContact CZ3-CD2 4.08Å; W62-F77 AromaticContact CZ3-CE1 3.61Å; W62-F77 HydrophobicContact CZ3-CE1 3.61Å; W62-F77 HydrophobicContact CZ3-CE2 4.47Å; W62-F77 AromaticContact CZ3-CG 3.4Å; W62-F77 HydrophobicContact CZ3-CG 3.4Å; W62-F77 HydrophobicContact CZ3-CZ 4.25Å |
| 63 | D | 92.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.5 | 167.7 | -178.6 | 46 | 0 | 0 | 0 | 109.4 | K21 T22 M25 T40 A43 D44 | K21-D63 WeakPolarHBondContact CB-OD1 3.32Å; T22-D63 WeakPolarHBondContact CA-OD2 3.49Å; T22-D63 VanDerWaalsContact CB-OD2 3.27Å; T22-D63 WeakPolarHBondContact CB-OD2 3.31Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.48Å; T22-D63 PolarHBondContact N-OD1 3.02Å; T22-D63 PolarHBondContact OG1-OD1 2.92Å; T22-D63 PolarHBondContact OG1-OD2 3.43Å; M25-D63 HydrophobicContact CE-CB 3.55Å; M25-D63 HydrophobicContact SD-CB 3.71Å; T40-D63 PolarHBondContact OG1-OD2 2.88Å; T40-D63 VanDerWaalsContact OG1-OD2 3.08Å; A43-D63 VanDerWaalsContact CA-O 3.28Å; A43-D63 WeakPolarHBondContact CA-O 3.47Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 2.98Å |
| 64 | T | 89.7 | Confident | 85 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 154.6 | -177.9 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | I12 I13 L14 K21 A43 G66 Y78 | I12-T64 HydrophobicContact CG2-CG2 3.99Å; I13-T64 PolarHBondContact O-OG1 2.89Å; L14-T64 HydrophobicContact CD2-CG2 3.89Å; L14-T64 VanDerWaalsContact CD2-OG1 3.29Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.25Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; A43-T64 HydrophobicContact CB-CG2 4.4Å; T64-G66 PolarHBondContact O-N 3.48Å; T64-Y78 HydrophobicContact CG2-CE1 4.18Å |
| 65 | A | 84.9 | Confident | 84.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -63.1 | 125.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T40 G42 Q67 F70 | T40-A65 WeakPolarHBondContact O-CB 3.26Å; G42-A65 WeakPolarHBondContact O-CB 3.39Å; G42-A65 PolarHBondContact O-N 3.04Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-F70 HydrophobicContact CB-CB 3.65Å | ||
| 66 | G | 74.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | trans | -87.3 | -0.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G15 S17 T64 | G15-G66 WeakPolarHBondContact O-CA 3.44Å; S17-G66 PolarHBondContact N-O 2.98Å; T64-G66 PolarHBondContact O-N 3.48Å | ||
| 67 | Q | 76.7 | Confident | 83.9 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.7 | 128.3 | 176.3 | -70.9 | -170.8 | 30.2 | 0 | 0 | 109.8 | S17 A65 R69 F70 Q71 | S17-Q67 WeakPolarHBondContact OG-CG 3.33Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-R69 PolarHBondContact O-N 2.88Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-F70 HydrophobicContact CB-CD2 4.12Å; Q67-F70 CarbonylContact O-C 3.54Å; Q67-F70 PolarHBondContact O-N 3.13Å; Q67-Q71 PolarHBondContact O-N 3.08Å |
| 68 | E | 72 | Confident | 83.8 | Confident | 157 Ų | 157 | 46.1 Ų | 46.1 | 73% | 0.734 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -46.6 | -42.6 | 178.7 | 66.3 | -167 | 170.9 | 0 | 0 | 113.9 | F70 Q71 | E68-F70 PolarHBondContact O-N 2.68Å; E68-F70 VanDerWaalsContact O-N 3.09Å; E68-Q71 PolarHBondContact O-N 3.3Å |
| 69 | R | 71.9 | Confident | 83.6 | Confident | 186 Ų | 186 | 53.1 Ų | 53.1 | 70% | 0.702 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.3 | -18.1 | -179.3 | -63 | -173.1 | -64.5 | -178.2 | -1.1 | 114.2 | Q67 | Q67-R69 PolarHBondContact O-N 2.88Å; Q67-R69 VanDerWaalsContact O-N 3.1Å |
| 70 | F | 74.7 | Confident | 83.3 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 26% | 0.263 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -118.8 | -4.3 | -179.8 | -56.3 | -48.3 | 0 | 0 | 0 | 113.3 | I41 A65 Q67 E68 S72 L73 | I41-F70 HydrophobicContact CG1-CE2 4.49Å; A65-F70 HydrophobicContact CB-CB 3.65Å; Q67-F70 HydrophobicContact CB-CD2 4.12Å; Q67-F70 CarbonylContact O-C 3.54Å; Q67-F70 PolarHBondContact O-N 3.13Å; E68-F70 PolarHBondContact O-N 2.68Å; E68-F70 VanDerWaalsContact O-N 3.09Å; F70-S72 VanDerWaalsContact C-N 3.33Å; F70-S72 PolarHBondContact O-N 2.85Å; F70-L73 HydrophobicContact CB-CD1 4.5Å; F70-L73 HydrophobicContact CD1-CD1 4.34Å; F70-L73 WeakPolarHBondContact O-CB 3.47Å; F70-L73 PolarHBondContact O-N 3Å |
| 71 | Q | 69.1 | Low | 83.3 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | -178.7 | -87 | 169.4 | -7.5 | 0 | 0 | 112.1 | Q67 E68 L73 G74 W102 | Q67-Q71 PolarHBondContact O-N 3.08Å; E68-Q71 PolarHBondContact O-N 3.3Å; Q71-L73 PolarHBondContact O-N 2.84Å; Q71-L73 VanDerWaalsContact O-N 3.07Å; Q71-G74 PolarHBondContact O-N 2.87Å; Q71-W102 HydrophobicContact CG-CH2 3.66Å; Q71-W102 HydrophobicContact CG-CZ3 4.19Å |
| 72 | S | 74.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 64% | 0.643 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.6 | -25.5 | -178.7 | 58 | 0 | 0 | 0 | 0 | 113.9 | F70 G74 | F70-S72 VanDerWaalsContact C-N 3.33Å; F70-S72 PolarHBondContact O-N 2.85Å; S72-G74 VanDerWaalsContact C-N 3.33Å |
| 73 | L | 75.1 | Confident | 83.4 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73 | -26.3 | 176.3 | -61.4 | 170.5 | 0 | 0 | 0 | 112.3 | F70 Q71 F77 | F70-L73 HydrophobicContact CB-CD1 4.5Å; F70-L73 HydrophobicContact CD1-CD1 4.34Å; F70-L73 WeakPolarHBondContact O-CB 3.47Å; F70-L73 PolarHBondContact O-N 3Å; Q71-L73 PolarHBondContact O-N 2.84Å; Q71-L73 VanDerWaalsContact O-N 3.07Å; L73-F77 WeakPolarHBondContact O-CE2 3.49Å |
| 74 | G | 72.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.8 | -25.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q71 S72 A76 F77 Y78 | Q71-G74 PolarHBondContact O-N 2.87Å; S72-G74 VanDerWaalsContact C-N 3.33Å; G74-A76 VanDerWaalsContact C-N 3.3Å; G74-A76 PolarHBondContact O-N 3.15Å; G74-F77 WeakPolarHBondContact O-CB 3.33Å; G74-F77 WeakPolarHBondContact O-CD2 3.34Å; G74-F77 PolarHBondContact O-N 3.13Å; G74-Y78 WeakPolarHBondContact O-CD1 3.22Å; G74-Y78 WeakPolarHBondContact O-CE1 3.46Å |
| 75 | V | 79.7 | Confident | 84.1 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -58.6 | -37.7 | -171.8 | 173.7 | 0 | 0 | 0 | 0 | 113.2 | F77 Y78 Q109 | V75-F77 PolarHBondContact O-N 3.44Å; V75-Y78 HydrophobicContact CG2-CE2 4.43Å; V75-Y78 PolarHBondContact O-N 2.76Å; V75-Q109 HydrophobicContact CG1-CB 3.68Å; V75-Q109 VanDerWaalsContact CG1-CD 3.44Å; V75-Q109 HydrophobicContact CG1-CG 3.52Å; V75-Q109 HydrophobicContact CG2-CG 4.5Å |
| 76 | A | 83.5 | Confident | 84.7 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 69% | 0.686 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -58.2 | -20.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G74 | G74-A76 VanDerWaalsContact C-N 3.3Å; G74-A76 PolarHBondContact O-N 3.15Å |
| 77 | F | 87.3 | Confident | 85.9 | Confident | 74 Ų | 74 | 54 Ų | 54 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -93.2 | -4.1 | -178.6 | -53.9 | -71.3 | 0 | 0 | 0 | 113.7 | K10 A43 W62 L73 G74 V75 | K10-F77 WeakPolarHBondContact CE-O 3.34Å; K10-F77 PolarHBondContact NZ-O 3.38Å; A43-F77 HydrophobicContact CB-CD2 3.56Å; A43-F77 HydrophobicContact CB-CE2 3.87Å; A43-F77 HydrophobicContact CB-CG 4.36Å; W62-F77 HydrophobicContact CD2-CB 4.33Å; W62-F77 HydrophobicContact CE3-CB 3.78Å; W62-F77 HydrophobicContact CE3-CD1 4.01Å; W62-F77 HydrophobicContact CE3-CD2 4.43Å; W62-F77 AromaticContact CE3-CG 3.81Å; W62-F77 HydrophobicContact CE3-CG 3.81Å; W62-F77 HydrophobicContact CH2-CB 4.39Å; W62-F77 AromaticContact CH2-CD1 3.34Å; W62-F77 HydrophobicContact CH2-CD1 3.34Å; W62-F77 AromaticContact CH2-CE1 3.8Å; W62-F77 HydrophobicContact CH2-CE1 3.8Å; W62-F77 HydrophobicContact CH2-CG 4.03Å; W62-F77 HydrophobicContact CZ2-CD1 4.34Å; W62-F77 HydrophobicContact CZ3-CB 3.83Å; W62-F77 AromaticContact CZ3-CD1 3.14Å; W62-F77 HydrophobicContact CZ3-CD1 3.14Å; W62-F77 HydrophobicContact CZ3-CD2 4.08Å; W62-F77 AromaticContact CZ3-CE1 3.61Å; W62-F77 HydrophobicContact CZ3-CE1 3.61Å; W62-F77 HydrophobicContact CZ3-CE2 4.47Å; W62-F77 AromaticContact CZ3-CG 3.4Å; W62-F77 HydrophobicContact CZ3-CG 3.4Å; W62-F77 HydrophobicContact CZ3-CZ 4.25Å; L73-F77 WeakPolarHBondContact O-CE2 3.49Å; G74-F77 WeakPolarHBondContact O-CB 3.33Å; G74-F77 WeakPolarHBondContact O-CD2 3.34Å; G74-F77 PolarHBondContact O-N 3.13Å; V75-F77 PolarHBondContact O-N 3.44Å |
| 78 | Y | 93.3 | Very high | 87 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | trans | -74.8 | -32 | -177.1 | -65.3 | 4.7 | 0 | 0 | 0 | 113 | I12 L14 T64 G74 V75 G80 A81 E105 F106 Q109 | I12-Y78 HydrophobicContact CG2-CD1 3.98Å; I12-Y78 HydrophobicContact CG2-CE1 4.09Å; L14-Y78 HydrophobicContact CD1-CE2 4.2Å; L14-Y78 HydrophobicContact CD2-CE1 3.75Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.4Å; T64-Y78 HydrophobicContact CG2-CE1 4.18Å; G74-Y78 WeakPolarHBondContact O-CD1 3.22Å; G74-Y78 WeakPolarHBondContact O-CE1 3.46Å; V75-Y78 HydrophobicContact CG2-CE2 4.43Å; V75-Y78 PolarHBondContact O-N 2.76Å; Y78-G80 PolarHBondContact O-N 3.1Å; Y78-A81 WeakPolarHBondContact O-CB 3.33Å; Y78-A81 PolarHBondContact O-N 3.46Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; Y78-E105 HydrophobicContact CE2-CG 4.4Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.46Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; Y78-F106 AromaticContact CD2-CD2 3.97Å; Y78-F106 HydrophobicContact CD2-CD2 3.97Å; Y78-F106 HydrophobicContact CG-CD2 4.16Å; Y78-Q109 HydrophobicContact CD2-CB 3.76Å; Y78-Q109 HydrophobicContact CE2-CB 4.34Å | ||
| 79 | R | 93.4 | Very high | 88.2 | Confident | 178 Ų | 178 | 44.9 Ų | 44.9 | 67% | 0.672 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 136.4 | -177.4 | -169.5 | 177.2 | 179.2 | 87.4 | -0.1 | 111.5 | K10 A81 | K10-R79 PolarHBondContact NZ-O 2.85Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3Å |
| 80 | G | 92.8 | Very high | 89.5 | Confident | 55 Ų | 55 | 36 Ų | 36 | 57% | 0.567 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 18.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y78 | Y78-G80 PolarHBondContact O-N 3.1Š|
| 81 | A | 96.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | trans | -67.8 | 141 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I12 Y78 R79 F106 F118 | I12-A81 HydrophobicContact CD1-CB 4.38Å; I12-A81 HydrophobicContact CG1-CB 3.59Å; Y78-A81 WeakPolarHBondContact O-CB 3.33Å; Y78-A81 PolarHBondContact O-N 3.46Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3Å; A81-F106 HydrophobicContact CB-CE2 4Å; A81-F106 HydrophobicContact CB-CZ 3.88Å; A81-F118 HydrophobicContact CB-CZ 4.35Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.32Å; A81-F118 WeakPolarHBondContact O-CZ 3.44Å | ||
| 82 | D | 97.9 | Very high | 92 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -97.6 | -17.5 | 177.3 | -55.9 | -59.6 | 0 | 0 | 0 | 111.8 | L9 K10 P119 A173 Q176 | L9-D82 WeakPolarHBondContact CA-OD2 3.4Å; K10-D82 PolarHBondContact N-OD2 3.22Å; K10-D82 PolarHBondContact O-N 3.47Å; D82-P119 WeakPolarHBondContact O-CG 3.3Å; D82-A173 HydrophobicContact CB-CB 3.86Å; D82-A173 WeakPolarHBondContact O-CA 3.24Å; D82-Q176 WeakPolarHBondContact O-CB 3.47Å |
| 83 | C | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 148.1 | 172.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | K10 V11 I12 P119 I169 A173 | K10-C83 PolarHBondContact O-N 2.94Å; V11-C83 WeakPolarHBondContact CA-O 3.29Å; V11-C83 HydrophobicContact CG2-CB 4.43Å; I12-C83 PolarHBondContact N-O 3.43Å; C83-P119 WeakPolarHBondContact CA-O 3.14Å; C83-P119 HydrophobicContact CB-CB 4.49Å; C83-P119 HydrophobicContact CB-CG 4.2Å; C83-P119 PolarHBondContact SG-O 3.32Å; C83-P119 VanDerWaalsContact SG-O 3.32Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; C83-A173 HydrophobicContact CB-CB 3.82Å |
| 84 | C | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | I12 F106 F118 P119 F120 V121 | I12-C84 CarbonylContact O-C 3.58Å; I12-C84 WeakPolarHBondContact O-CA 3.45Å; C84-F106 HydrophobicContact CB-CD1 4.09Å; C84-F106 HydrophobicContact CB-CD2 4.03Å; C84-F106 HydrophobicContact CB-CE1 3.94Å; C84-F106 HydrophobicContact CB-CE2 3.85Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.81Å; C84-F118 HydrophobicContact CB-CE1 3.84Å; C84-P119 PolarHBondContact N-O 2.97Å; C84-F120 HydrophobicContact CB-CD1 3.55Å; C84-F120 HydrophobicContact CB-CE1 3.54Å; C84-F120 HydrophobicContact CB-CG 4.49Å; C84-F120 HydrophobicContact CB-CZ 4.46Å; C84-F120 CarbonylContact O-C 3.5Å; C84-F120 VanDerWaalsContact O-CA 3.25Å; C84-F120 WeakPolarHBondContact O-CA 3.34Å; C84-V121 PolarHBondContact O-N 3.21Å |
| 85 | V | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.4 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | V11 I12 I13 L14 V87 V121 L123 I169 | V11-V85 HydrophobicContact CG1-CG2 3.65Å; I12-V85 PolarHBondContact O-N 3.22Å; I13-V85 WeakPolarHBondContact CA-O 3.41Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.45Å; I13-V85 HydrophobicContact CG2-CB 4.34Å; I13-V85 HydrophobicContact CG2-CG1 4.45Å; L14-V85 PolarHBondContact N-O 3.41Å; V85-V87 HydrophobicContact CG1-CG2 4.03Å; V85-V121 CarbonylContact C-O 3.57Å; V85-V121 WeakPolarHBondContact CA-O 3.47Å; V85-L123 HydrophobicContact CG1-CD1 3.5Å; V85-L123 VanDerWaalsContact CG1-CD1 3.5Å; V85-L123 HydrophobicContact CG1-CG 3.65Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.11Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.92Å; V85-I169 HydrophobicContact CG2-CG2 4.11Å |
| 86 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.7 | 178.8 | -64.9 | 179.3 | 0 | 0 | 0 | 109.3 | L14 L99 W102 R103 F120 V121 V122 L123 W142 | L14-L86 HydrophobicContact CB-CD2 4.16Å; L86-L99 HydrophobicContact CB-CD2 4.1Å; L86-W102 HydrophobicContact CD2-CB 3.93Å; L86-R103 HydrophobicContact CD1-CB 4.03Å; L86-F120 HydrophobicContact CD1-CD1 3.95Å; L86-F120 HydrophobicContact CD1-CE1 4.49Å; L86-F120 HydrophobicContact CG-CD1 4.08Å; L86-V121 PolarHBondContact N-O 3.18Å; L86-V122 HydrophobicContact CB-CG2 4.18Å; L86-V122 HydrophobicContact CD1-CG2 4.48Å; L86-V122 CarbonylContact O-C 3.56Å; L86-V122 VanDerWaalsContact O-CA 3.31Å; L86-V122 WeakPolarHBondContact O-CA 3.19Å; L86-L123 PolarHBondContact O-N 2.77Å; L86-W142 HydrophobicContact CD1-CH2 4Å |
| 87 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.9 | -174.9 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | I13 L14 G15 V19 K21 L24 V85 L123 N125 | I13-V87 HydrophobicContact CG2-CG2 3.47Å; I13-V87 VanDerWaalsContact CG2-CG2 3.47Å; L14-V87 PolarHBondContact O-N 3.02Å; G15-V87 WeakPolarHBondContact CA-O 3.3Å; V19-V87 HydrophobicContact CB-CG1 4.25Å; V19-V87 HydrophobicContact CG2-CB 3.94Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.25Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.12Å; V85-V87 HydrophobicContact CG1-CG2 4.03Å; V87-L123 WeakPolarHBondContact CA-O 3.39Å; V87-L123 HydrophobicContact CG1-CB 4.43Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.32Å; V87-N125 HydrophobicContact CG1-CB 4.06Å |
| 88 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 166.6 | 169 | 74.4 | -84.3 | 0 | 0 | 0 | 111 | V90 T95 F96 L99 V122 L123 G124 N125 V134 A139 Y151 | F88-V90 HydrophobicContact CE2-CG1 3.93Å; F88-V90 HydrophobicContact CZ-CG1 4.38Å; F88-T95 WeakPolarHBondContact CB-O 3.44Å; F88-F96 HydrophobicContact CB-CB 4.42Å; F88-F96 AromaticContact CD1-CD2 3.93Å; F88-F96 HydrophobicContact CD1-CD2 3.93Å; F88-F96 HydrophobicContact CD2-CB 3.82Å; F88-F96 AromaticContact CD2-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CG 4.33Å; F88-F96 AromaticContact CE1-CD2 3.78Å; F88-F96 HydrophobicContact CE1-CD2 3.78Å; F88-F96 HydrophobicContact CE1-CE2 4.2Å; F88-F96 HydrophobicContact CE2-CB 4.28Å; F88-F96 AromaticContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CG 4.41Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 AromaticContact CG-CD2 3.97Å; F88-F96 HydrophobicContact CG-CD2 3.97Å; F88-F96 AromaticContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CE2 4.23Å; F88-L99 HydrophobicContact CB-CD1 4.4Å; F88-L99 HydrophobicContact CB-CD2 4.16Å; F88-L99 HydrophobicContact CB-CG 4.42Å; F88-L99 HydrophobicContact CD1-CD1 3.74Å; F88-L99 HydrophobicContact CE1-CD1 4.35Å; F88-L99 HydrophobicContact CG-CD1 4.31Å; F88-V122 HydrophobicContact CD1-CG1 4.02Å; F88-V122 HydrophobicContact CE1-CG1 3.79Å; F88-L123 WeakPolarHBondContact CD1-O 3.3Å; F88-L123 PolarHBondContact N-O 3.04Å; F88-G124 VanDerWaalsContact CE1-CA 3.41Å; F88-N125 PolarHBondContact O-N 3.34Å; F88-V134 HydrophobicContact CE2-CB 3.96Å; F88-V134 HydrophobicContact CE2-CG1 3.74Å; F88-V134 HydrophobicContact CE2-CG2 4.25Å; F88-V134 HydrophobicContact CZ-CG1 4.19Å; F88-A139 HydrophobicContact CE1-CB 4.39Å; F88-A139 HydrophobicContact CZ-CB 3.9Å; F88-Y151 AromaticContact CE1-CE2 3.77Å; F88-Y151 HydrophobicContact CE1-CE2 3.77Å; F88-Y151 AromaticContact CZ-CE2 4Å; F88-Y151 HydrophobicContact CZ-CE2 4Å |
| 89 | D | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.5 | 175.8 | 179.2 | -17.9 | 0 | 0 | 0 | 109.6 | V19 T91 A92 T95 K126 | V19-D89 HydrophobicContact CB-CB 4.4Å; V19-D89 HydrophobicContact CG1-CB 4.27Å; D89-T91 VanDerWaalsContact CG-OG1 3.3Å; D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.37Å; D89-T91 WeakPolarHBondContact OD1-CB 3.48Å; D89-T91 PolarHBondContact OD1-N 3.09Å; D89-T91 PolarHBondContact OD1-OG1 3.41Å; D89-T91 PolarHBondContact OD2-OG1 2.77Å; D89-A92 HydrophobicContact CB-CB 4.07Å; D89-A92 PolarHBondContact O-N 2.97Å; D89-T95 PolarHBondContact N-OG1 2.78Å; D89-T95 PolarHBondContact O-OG1 3.23Å; D89-K126 VanDerWaalsContact OD2-CD 3.27Å; D89-K126 WeakPolarHBondContact OD2-CD 3.47Å; D89-K126 WeakPolarHBondContact OD2-CE 3.48Å; D89-K126 IonicContact OD2-NZ 3.57Å; D89-K126 PolarHBondContact OD2-NZ 2.89Å |
| 90 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.8 | -178 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | F88 N125 I127 R132 Q133 V134 | F88-V90 HydrophobicContact CE2-CG1 3.93Å; F88-V90 HydrophobicContact CZ-CG1 4.38Å; V90-N125 WeakPolarHBondContact CG2-O 3.5Å; V90-N125 PolarHBondContact N-O 3.16Å; V90-I127 HydrophobicContact CG1-CG2 4.1Å; V90-I127 HydrophobicContact CG2-CG2 4.23Å; V90-R132 HydrophobicContact CB-CG 4.5Å; V90-Q133 PolarHBondContact O-N 3.43Å; V90-V134 PolarHBondContact O-N 3Å |
| 91 | T | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 15% | 0.153 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -10.9 | 177.2 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | D89 L129 N131 Q133 | D89-T91 VanDerWaalsContact CG-OG1 3.3Å; D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.37Å; D89-T91 WeakPolarHBondContact OD1-CB 3.48Å; D89-T91 PolarHBondContact OD1-N 3.09Å; D89-T91 PolarHBondContact OD1-OG1 3.41Å; D89-T91 PolarHBondContact OD2-OG1 2.77Å; T91-L129 HydrophobicContact CG2-CB 3.65Å; T91-L129 HydrophobicContact CG2-CD1 3.84Å; T91-L129 HydrophobicContact CG2-CG 4.37Å; T91-N131 WeakPolarHBondContact CB-O 3.4Å; T91-Q133 VanDerWaalsContact O-CD 3.27Å; T91-Q133 WeakPolarHBondContact O-CG 3.17Å; T91-Q133 PolarHBondContact O-NE2 2.96Å |
| 92 | A | 98 | Very high | 98 | Very high | 32 Ų | 32 | 26.1 Ų | 26.1 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | trans | -124.7 | 90.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D89 N94 T95 | D89-A92 HydrophobicContact CB-CB 4.07Å; D89-A92 PolarHBondContact O-N 2.97Å; A92-N94 PolarHBondContact O-N 2.85Å; A92-T95 HydrophobicContact CB-CG2 3.88Å; A92-T95 WeakPolarHBondContact O-CB 3.24Å; A92-T95 PolarHBondContact O-N 3.27Å; A92-T95 PolarHBondContact O-OG1 3.19Å | ||
| 93 | P | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 25.9 Ų | 25.9 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -27.1 | -171.9 | -27.8 | 36.1 | 0 | 0 | 0 | 115.8 | T95 F96 K97 Q133 V134 | P93-T95 VanDerWaalsContact C-N 3.29Å; P93-T95 PolarHBondContact O-N 2.9Å; P93-F96 WeakPolarHBondContact O-CB 3.43Å; P93-F96 PolarHBondContact O-N 3.32Å; P93-K97 PolarHBondContact O-N 3.28Å; P93-Q133 VanDerWaalsContact CD-OE1 3.26Å; P93-Q133 HydrophobicContact CG-CB 3.41Å; P93-Q133 VanDerWaalsContact CG-CB 3.41Å; P93-Q133 HydrophobicContact CG-CG 4.36Å; P93-Q133 VanDerWaalsContact CG-OE1 3.31Å; P93-V134 HydrophobicContact CB-CG2 4.25Å; P93-V134 HydrophobicContact CG-CG2 4.37Å |
| 94 | N | 98 | Very high | 97.9 | Very high | 106 Ų | 106 | 29.7 Ų | 29.7 | 57% | 0.567 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -65.7 | -34.7 | 178.2 | -68.6 | -20.4 | 0 | 0 | 0 | 111.6 | A92 F96 K97 T98 | A92-N94 PolarHBondContact O-N 2.85Å; N94-F96 PolarHBondContact O-N 2.79Å; N94-K97 WeakPolarHBondContact O-CB 3.43Å; N94-K97 PolarHBondContact O-N 2.85Å; N94-K97 PolarHBondContact OD1-NZ 2.99Å; N94-K97 VanDerWaalsContact OD1-NZ 3.15Å; N94-T98 PolarHBondContact O-N 3.16Å; N94-T98 PolarHBondContact O-OG1 3.39Å |
| 95 | T | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -23 | 176.9 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | D16 V19 F88 D89 A92 P93 T98 | D16-T95 HydrophobicContact CB-CG2 3.92Å; D16-T95 WeakPolarHBondContact OD2-CA 3.33Å; V19-T95 HydrophobicContact CG1-CG2 3.77Å; F88-T95 WeakPolarHBondContact CB-O 3.44Å; D89-T95 PolarHBondContact N-OG1 2.78Å; D89-T95 PolarHBondContact O-OG1 3.23Å; A92-T95 HydrophobicContact CB-CG2 3.88Å; A92-T95 WeakPolarHBondContact O-CB 3.24Å; A92-T95 PolarHBondContact O-N 3.27Å; A92-T95 PolarHBondContact O-OG1 3.19Å; P93-T95 VanDerWaalsContact C-N 3.29Å; P93-T95 PolarHBondContact O-N 2.9Å; T95-T98 PolarHBondContact O-OG1 2.73Å; T95-T98 VanDerWaalsContact O-OG1 3.11Å |
| 96 | F | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.8 | -36.8 | 171.7 | 178.6 | -100.3 | 0 | 0 | 0 | 111.7 | F88 P93 N94 T98 L99 V134 R138 A139 W142 | F88-F96 HydrophobicContact CB-CB 4.42Å; F88-F96 AromaticContact CD1-CD2 3.93Å; F88-F96 HydrophobicContact CD1-CD2 3.93Å; F88-F96 HydrophobicContact CD2-CB 3.82Å; F88-F96 AromaticContact CD2-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CG 4.33Å; F88-F96 AromaticContact CE1-CD2 3.78Å; F88-F96 HydrophobicContact CE1-CD2 3.78Å; F88-F96 HydrophobicContact CE1-CE2 4.2Å; F88-F96 HydrophobicContact CE2-CB 4.28Å; F88-F96 AromaticContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CG 4.41Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 AromaticContact CG-CD2 3.97Å; F88-F96 HydrophobicContact CG-CD2 3.97Å; F88-F96 AromaticContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CE2 4.23Å; P93-F96 WeakPolarHBondContact O-CB 3.43Å; P93-F96 PolarHBondContact O-N 3.32Å; N94-F96 PolarHBondContact O-N 2.79Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 2.96Å; F96-L99 HydrophobicContact CD2-CD1 3.66Å; F96-L99 HydrophobicContact CE2-CD1 3.9Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.31Å; F96-L99 WeakPolarHBondContact O-CG 3.22Å; F96-L99 PolarHBondContact O-N 3.46Å; F96-V134 HydrophobicContact CB-CG1 4.37Å; F96-V134 HydrophobicContact CB-CG2 3.98Å; F96-V134 HydrophobicContact CD1-CG1 4.32Å; F96-V134 HydrophobicContact CD2-CG1 4.09Å; F96-V134 HydrophobicContact CG-CG1 3.98Å; F96-V134 HydrophobicContact CG-CG2 4.44Å; F96-R138 HydrophobicContact CE1-CG 4.04Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; F96-A139 HydrophobicContact CE2-CB 3.89Å; F96-A139 HydrophobicContact CZ-CB 4.4Å; F96-W142 HydrophobicContact CE2-CB 4.43Å; F96-W142 HydrophobicContact CZ-CB 3.68Å; F96-W142 AromaticContact CZ-CG 3.98Å; F96-W142 HydrophobicContact CZ-CG 3.98Å |
| 97 | K | 97.8 | Very high | 97.4 | Very high | 120 Ų | 120 | 33.2 Ų | 33.2 | 52% | 0.522 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66 | -30.6 | 178.6 | -66.4 | 173.5 | -172.2 | 165.9 | 0 | 112.3 | P93 N94 L99 | P93-K97 PolarHBondContact O-N 3.28Å; N94-K97 WeakPolarHBondContact O-CB 3.43Å; N94-K97 PolarHBondContact O-N 2.85Å; N94-K97 PolarHBondContact OD1-NZ 2.99Å; N94-K97 VanDerWaalsContact OD1-NZ 3.15Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 3.07Å |
| 98 | T | 97.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5.6 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | D16 N94 T95 F96 D100 S101 W102 | D16-T98 VanDerWaalsContact CG-OG1 3.24Å; D16-T98 WeakPolarHBondContact OD1-CB 3.47Å; D16-T98 PolarHBondContact OD1-OG1 2.55Å; D16-T98 PolarHBondContact OD2-OG1 3.15Å; N94-T98 PolarHBondContact O-N 3.16Å; N94-T98 PolarHBondContact O-OG1 3.39Å; T95-T98 PolarHBondContact O-OG1 2.73Å; T95-T98 VanDerWaalsContact O-OG1 3.11Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 2.96Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 3.36Å; T98-S101 WeakPolarHBondContact O-CB 3.29Å; T98-S101 PolarHBondContact O-N 3.29Å; T98-S101 VanDerWaalsContact O-N 3.1Å; T98-W102 PolarHBondContact O-N 2.8Å |
| 99 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -35 | 179 | -68.3 | -173.8 | 0 | 0 | 0 | 113.2 | L86 F88 F96 K97 W102 R103 V122 W142 | L86-L99 HydrophobicContact CB-CD2 4.1Å; F88-L99 HydrophobicContact CB-CD1 4.4Å; F88-L99 HydrophobicContact CB-CD2 4.16Å; F88-L99 HydrophobicContact CB-CG 4.42Å; F88-L99 HydrophobicContact CD1-CD1 3.74Å; F88-L99 HydrophobicContact CE1-CD1 4.35Å; F88-L99 HydrophobicContact CG-CD1 4.31Å; F96-L99 HydrophobicContact CD2-CD1 3.66Å; F96-L99 HydrophobicContact CE2-CD1 3.9Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.31Å; F96-L99 WeakPolarHBondContact O-CG 3.22Å; F96-L99 PolarHBondContact O-N 3.46Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 3.07Å; L99-W102 PolarHBondContact O-N 2.89Å; L99-R103 WeakPolarHBondContact O-CB 3.33Å; L99-R103 PolarHBondContact O-N 2.97Å; L99-V122 HydrophobicContact CD1-CG1 4.13Å; L99-W142 HydrophobicContact CB-CH2 3.92Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.41Å |
| 100 | D | 97.2 | Very high | 96.8 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -49 | 173.4 | -76.7 | -71 | 0 | 0 | 0 | 110.7 | T98 W102 R103 D104 W142 K146 | T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 3.36Å; D100-W102 PolarHBondContact O-N 3.21Å; D100-R103 PolarHBondContact O-N 3.39Å; D100-D104 WeakPolarHBondContact O-CB 3.42Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.24Å; D100-W142 PolarHBondContact OD1-NE1 3.31Å; D100-W142 PolarHBondContact OD2-NE1 2.92Å; D100-K146 WeakPolarHBondContact OD1-CE 3.43Å; D100-K146 IonicContact OD1-NZ 3.87Å; D100-K146 PolarHBondContact OD1-NZ 3.01Å |
| 101 | S | 95.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 178 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | T98 D104 E105 | T98-S101 WeakPolarHBondContact O-CB 3.29Å; T98-S101 PolarHBondContact O-N 3.29Å; T98-S101 VanDerWaalsContact O-N 3.1Å; S101-D104 PolarHBondContact O-N 2.95Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.4Å; S101-E105 PolarHBondContact O-N 2.93Å |
| 102 | W | 96.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.8 | -77.2 | 115 | 0 | 0 | 0 | 112.9 | L14 G15 D16 Q71 L86 T98 L99 D100 F106 | L14-W102 HydrophobicContact CB-CD2 4.3Å; L14-W102 HydrophobicContact CB-CE3 3.93Å; L14-W102 HydrophobicContact CB-CZ3 4.42Å; L14-W102 HydrophobicContact CD1-CE3 4.18Å; L14-W102 HydrophobicContact CD2-CE3 4.45Å; L14-W102 HydrophobicContact CD2-CZ3 4.3Å; L14-W102 HydrophobicContact CG-CE3 4.42Å; G15-W102 VanDerWaalsContact C-CE2 3.43Å; G15-W102 VanDerWaalsContact C-CZ2 3.4Å; G15-W102 WeakPolarHBondContact O-CZ2 3.42Å; D16-W102 PolarHBondContact OD1-NE1 2.97Å; Q71-W102 HydrophobicContact CG-CH2 3.66Å; Q71-W102 HydrophobicContact CG-CZ3 4.19Å; L86-W102 HydrophobicContact CD2-CB 3.93Å; T98-W102 PolarHBondContact O-N 2.8Å; L99-W102 PolarHBondContact O-N 2.89Å; D100-W102 PolarHBondContact O-N 3.21Å; W102-F106 WeakPolarHBondContact O-CB 3.31Å; W102-F106 PolarHBondContact O-N 2.9Å |
| 103 | R | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 6% | 0.06 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 174.7 | 178.7 | -176.1 | 163.2 | 137.4 | -0.9 | 110.5 | L86 L99 D100 F106 L107 F120 K146 | L86-R103 HydrophobicContact CD1-CB 4.03Å; L99-R103 WeakPolarHBondContact O-CB 3.33Å; L99-R103 PolarHBondContact O-N 2.97Å; D100-R103 PolarHBondContact O-N 3.39Å; R103-F106 PolarHBondContact O-N 2.75Å; R103-L107 HydrophobicContact CG-CD1 4.16Å; R103-L107 WeakPolarHBondContact O-CG 3.25Å; R103-L107 PolarHBondContact O-N 3.04Å; R103-F120 HydrophobicContact CG-CE1 4.08Å; R103-F120 HydrophobicContact CG-CE2 4.36Å; R103-F120 HydrophobicContact CG-CZ 3.91Å; R103-K146 VanDerWaalsContact NH1-CB 3.32Å; R103-K146 PolarHBondContact NH1-O 2.84Å |
| 104 | D | 95.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | -176.4 | -67.4 | -12.1 | 0 | 0 | 0 | 111.1 | D100 S101 F106 L107 I108 | D100-D104 WeakPolarHBondContact O-CB 3.42Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.24Å; S101-D104 PolarHBondContact O-N 2.95Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.41Å; D104-L107 PolarHBondContact O-N 3.18Å; D104-I108 WeakPolarHBondContact O-CD1 3.27Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.36Å |
| 105 | E | 94.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 173.5 | -175.7 | -168.4 | 123.5 | 0 | 0 | 111.2 | Y78 S101 L107 I108 Q109 | Y78-E105 HydrophobicContact CE2-CG 4.4Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.46Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.4Å; S101-E105 PolarHBondContact O-N 2.93Å; E105-L107 PolarHBondContact O-N 2.97Å; E105-I108 PolarHBondContact O-N 3.34Å; E105-Q109 HydrophobicContact CG-CG 4.18Å; E105-Q109 WeakPolarHBondContact O-CB 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.29Å; E105-Q109 PolarHBondContact O-N 2.85Å |
| 106 | F | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 178.1 | 177.4 | -89.4 | 0 | 0 | 0 | 111.5 | I12 L14 Y78 A81 C84 W102 R103 D104 I108 Q109 A110 F118 F120 | I12-F106 HydrophobicContact CB-CE2 4.31Å; I12-F106 HydrophobicContact CG1-CE2 4.19Å; L14-F106 HydrophobicContact CD1-CB 3.76Å; L14-F106 HydrophobicContact CD1-CD2 4Å; L14-F106 HydrophobicContact CD1-CG 4.28Å; Y78-F106 AromaticContact CD2-CD2 3.97Å; Y78-F106 HydrophobicContact CD2-CD2 3.97Å; Y78-F106 HydrophobicContact CG-CD2 4.16Å; A81-F106 HydrophobicContact CB-CE2 4Å; A81-F106 HydrophobicContact CB-CZ 3.88Å; C84-F106 HydrophobicContact CB-CD1 4.09Å; C84-F106 HydrophobicContact CB-CD2 4.03Å; C84-F106 HydrophobicContact CB-CE1 3.94Å; C84-F106 HydrophobicContact CB-CE2 3.85Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.81Å; W102-F106 WeakPolarHBondContact O-CB 3.31Å; W102-F106 PolarHBondContact O-N 2.9Å; R103-F106 PolarHBondContact O-N 2.75Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.41Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 2.89Å; F106-Q109 PolarHBondContact O-N 2.9Å; F106-A110 HydrophobicContact CD1-CB 4.21Å; F106-A110 HydrophobicContact CD2-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.8Å; F106-A110 HydrophobicContact CE2-CB 3.86Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.62Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.47Å; F106-A110 PolarHBondContact O-N 2.83Å; F106-F118 HydrophobicContact CD1-CD1 4.46Å; F106-F118 HydrophobicContact CD1-CE1 4.26Å; F106-F118 AromaticContact CE1-CD1 3.6Å; F106-F118 HydrophobicContact CE1-CD1 3.6Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.25Å; F106-F118 HydrophobicContact CE1-CG 4.29Å; F106-F118 AromaticContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CZ-CD1 4.28Å; F106-F118 AromaticContact CZ-CE1 3.41Å; F106-F118 HydrophobicContact CZ-CE1 3.41Å; F106-F118 VanDerWaalsContact CZ-CE1 3.41Å; F106-F118 HydrophobicContact CZ-CE2 4.27Å; F106-F118 AromaticContact CZ-CZ 3.4Å; F106-F118 HydrophobicContact CZ-CZ 3.4Å; F106-F118 VanDerWaalsContact CZ-CZ 3.4Å; F106-F120 HydrophobicContact CB-CE1 4.49Å; F106-F120 AromaticContact CD1-CE1 3.74Å; F106-F120 HydrophobicContact CD1-CE1 3.74Å; F106-F120 AromaticContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CE1-CE1 4.32Å; F106-F120 HydrophobicContact CE1-CZ 4.09Å; F106-F120 HydrophobicContact CG-CE1 4.25Å; F106-F120 HydrophobicContact CG-CZ 4.46Å |
| 107 | L | 96.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | -178.3 | -70.9 | 178.5 | 0 | 0 | 0 | 112.1 | R103 D104 E105 S111 P112 P115 F120 | R103-L107 HydrophobicContact CG-CD1 4.16Å; R103-L107 WeakPolarHBondContact O-CG 3.25Å; R103-L107 PolarHBondContact O-N 3.04Å; D104-L107 PolarHBondContact O-N 3.18Å; E105-L107 PolarHBondContact O-N 2.97Å; L107-S111 WeakPolarHBondContact O-CA 3.25Å; L107-S111 PolarHBondContact O-N 3.22Å; L107-S111 VanDerWaalsContact O-N 3.12Å; L107-P112 HydrophobicContact CD2-CG 3.77Å; L107-P112 WeakPolarHBondContact O-CD 3.44Å; L107-P115 HydrophobicContact CD2-CB 3.99Å; L107-F120 HydrophobicContact CD2-CE2 3.87Å; L107-F120 HydrophobicContact CD2-CZ 3.7Å; L107-F120 HydrophobicContact CG-CE2 4.39Å; L107-F120 HydrophobicContact CG-CZ 3.95Å |
| 108 | I | 94.8 | Very high | 94.8 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 59% | 0.59 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.9 | -51.9 | 176.2 | -68.8 | 164.8 | 0 | 0 | 0 | 110.2 | D104 E105 F106 S111 | D104-I108 WeakPolarHBondContact O-CD1 3.27Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.36Å; E105-I108 PolarHBondContact O-N 3.34Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 2.89Å; I108-S111 PolarHBondContact O-OG 2.84Å |
| 109 | Q | 93.8 | Very high | 94.8 | Very high | 92 Ų | 92 | 54.1 Ų | 54.1 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -81.5 | -38.8 | -168.6 | -62.2 | -61.7 | -22.4 | 0 | 0 | 113.7 | V75 Y78 E105 F106 S111 | V75-Q109 HydrophobicContact CG1-CB 3.68Å; V75-Q109 VanDerWaalsContact CG1-CD 3.44Å; V75-Q109 HydrophobicContact CG1-CG 3.52Å; V75-Q109 HydrophobicContact CG2-CG 4.5Å; Y78-Q109 HydrophobicContact CD2-CB 3.76Å; Y78-Q109 HydrophobicContact CE2-CB 4.34Å; E105-Q109 HydrophobicContact CG-CG 4.18Å; E105-Q109 WeakPolarHBondContact O-CB 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.29Å; E105-Q109 PolarHBondContact O-N 2.85Å; F106-Q109 PolarHBondContact O-N 2.9Å; Q109-S111 VanDerWaalsContact C-N 3.27Å |
| 110 | A | 94.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -30.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | F106 | F106-A110 HydrophobicContact CD1-CB 4.21Å; F106-A110 HydrophobicContact CD2-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.8Å; F106-A110 HydrophobicContact CE2-CB 3.86Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.62Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.47Å; F106-A110 PolarHBondContact O-N 2.83Å |
| 111 | S | 93.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 54% | 0.538 | 27% | 0.271 | S | S | . | . | trans | 44.7 | 56.1 | -174.3 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | L107 I108 Q109 | L107-S111 WeakPolarHBondContact O-CA 3.25Å; L107-S111 PolarHBondContact O-N 3.22Å; L107-S111 VanDerWaalsContact O-N 3.12Å; I108-S111 PolarHBondContact O-OG 2.84Å; Q109-S111 VanDerWaalsContact C-N 3.27Å | ||
| 112 | P | 93.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | trans | -63.2 | 149.2 | 178.5 | 30.8 | -34.2 | 0 | 0 | 0 | 109.3 | L107 D114 P115 F118 | L107-P112 HydrophobicContact CD2-CG 3.77Å; L107-P112 WeakPolarHBondContact O-CD 3.44Å; P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 2.96Å; P112-P115 HydrophobicContact CG-CB 4.41Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 2.93Å; P112-P115 WeakPolarHBondContact O-CG 3.16Å; P112-F118 HydrophobicContact CB-CB 4.32Å; P112-F118 HydrophobicContact CB-CD2 3.41Å; P112-F118 VanDerWaalsContact CB-CD2 3.41Å; P112-F118 HydrophobicContact CB-CE2 4.01Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.22Å; P112-F118 HydrophobicContact CG-CD2 4Å; P112-F118 HydrophobicContact CG-CG 4.14Å | ||
| 113 | R | 89.2 | Confident | 95.2 | Very high | 158 Ų | 158 | 47.9 Ų | 47.9 | 60% | 0.596 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -64.1 | -35.9 | -175.3 | 179.3 | 171.6 | 167.7 | -113.8 | -12.7 | 113.2 | Y183 | R113-Y183 VanDerWaalsContact CZ-CG 3.48Å; R113-Y183 VanDerWaalsContact NH2-CD2 3.28Å |
| 114 | D | 92.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 47.1 Ų | 47.1 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | trans | -121.9 | 86.7 | 174.6 | -174 | -10 | 0 | 0 | 0 | 109.4 | P112 E116 N117 F118 | P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 2.96Å; D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 PolarHBondContact OD1-N 3.37Å; D114-N117 PolarHBondContact OD1-N 3.24Å; D114-N117 PolarHBondContact OD1-ND2 3.26Å; D114-N117 WeakPolarHBondContact OD2-CB 3.36Å; D114-N117 PolarHBondContact OD2-ND2 2.57Å; D114-F118 WeakPolarHBondContact O-CB 3.2Å; D114-F118 PolarHBondContact O-N 3.4Å | ||
| 115 | P | 93.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.3 | -178.5 | -25.5 | 36 | 0 | 0 | 0 | 114.6 | L107 P112 | L107-P115 HydrophobicContact CD2-CB 3.99Å; P112-P115 HydrophobicContact CG-CB 4.41Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 2.93Å; P112-P115 WeakPolarHBondContact O-CG 3.16Å |
| 116 | E | 91.3 | Very high | 95.6 | Very high | 122 Ų | 122 | 43.8 Ų | 43.8 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33.3 | -175 | -67.6 | -58.2 | 138.3 | 0 | 0 | 111.8 | D114 N147 | D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 PolarHBondContact OD1-N 3.37Å; E116-N147 PolarHBondContact O-ND2 3.25Å |
| 117 | N | 92.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 0 | 178.1 | -59.4 | -55.6 | 0 | 0 | 0 | 113.9 | D114 N147 | D114-N117 PolarHBondContact OD1-N 3.24Å; D114-N117 PolarHBondContact OD1-ND2 3.26Å; D114-N117 WeakPolarHBondContact OD2-CB 3.36Å; D114-N117 PolarHBondContact OD2-ND2 2.57Å; N117-N147 PolarHBondContact OD1-ND2 2.99Å |
| 118 | F | 97.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | trans | -55.7 | 131.4 | 177.1 | -174.6 | -89.7 | 0 | 0 | 0 | 110.7 | A81 C84 F106 P112 D114 F120 | A81-F118 HydrophobicContact CB-CZ 4.35Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.32Å; A81-F118 WeakPolarHBondContact O-CZ 3.44Å; C84-F118 HydrophobicContact CB-CE1 3.84Å; F106-F118 HydrophobicContact CD1-CD1 4.46Å; F106-F118 HydrophobicContact CD1-CE1 4.26Å; F106-F118 AromaticContact CE1-CD1 3.6Å; F106-F118 HydrophobicContact CE1-CD1 3.6Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.25Å; F106-F118 HydrophobicContact CE1-CG 4.29Å; F106-F118 AromaticContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CZ-CD1 4.28Å; F106-F118 AromaticContact CZ-CE1 3.41Å; F106-F118 HydrophobicContact CZ-CE1 3.41Å; F106-F118 VanDerWaalsContact CZ-CE1 3.41Å; F106-F118 HydrophobicContact CZ-CE2 4.27Å; F106-F118 AromaticContact CZ-CZ 3.4Å; F106-F118 HydrophobicContact CZ-CZ 3.4Å; F106-F118 VanDerWaalsContact CZ-CZ 3.4Å; P112-F118 HydrophobicContact CB-CB 4.32Å; P112-F118 HydrophobicContact CB-CD2 3.41Å; P112-F118 VanDerWaalsContact CB-CD2 3.41Å; P112-F118 HydrophobicContact CB-CE2 4.01Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.22Å; P112-F118 HydrophobicContact CG-CD2 4Å; P112-F118 HydrophobicContact CG-CG 4.14Å; D114-F118 WeakPolarHBondContact O-CB 3.2Å; D114-F118 PolarHBondContact O-N 3.4Å; F118-F120 HydrophobicContact CB-CE2 4.22Å; F118-F120 HydrophobicContact CD1-CD2 4.03Å; F118-F120 HydrophobicContact CD1-CE1 4.5Å; F118-F120 AromaticContact CD1-CE2 3.65Å; F118-F120 HydrophobicContact CD1-CE2 3.65Å; F118-F120 AromaticContact CD1-CZ 3.91Å; F118-F120 HydrophobicContact CD1-CZ 3.91Å; F118-F120 HydrophobicContact CG-CE2 4.39Å; F118-F120 WeakPolarHBondContact O-CD2 3.41Å; F118-F120 PolarHBondContact O-N 2.92Å | ||
| 119 | P | 97.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.104 | 22% | 0.224 | C | C | . | . | trans | -72.4 | 116.8 | -174.5 | 28.2 | -36.3 | 0 | 0 | 0 | 112 | D82 C83 C84 N172 Q176 | D82-P119 WeakPolarHBondContact O-CG 3.3Å; C83-P119 WeakPolarHBondContact CA-O 3.14Å; C83-P119 HydrophobicContact CB-CB 4.49Å; C83-P119 HydrophobicContact CB-CG 4.2Å; C83-P119 PolarHBondContact SG-O 3.32Å; C83-P119 VanDerWaalsContact SG-O 3.32Å; C84-P119 PolarHBondContact N-O 2.97Å; P119-N172 HydrophobicContact CB-CB 3.83Å; P119-Q176 HydrophobicContact CG-CB 3.84Å; P119-Q176 HydrophobicContact CG-CG 4.12Å | ||
| 120 | F | 98.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 154.9 | 164.9 | -69.1 | -89.4 | 0 | 0 | 0 | 110.6 | C84 L86 R103 F106 L107 F118 I149 P150 | C84-F120 HydrophobicContact CB-CD1 3.55Å; C84-F120 HydrophobicContact CB-CE1 3.54Å; C84-F120 HydrophobicContact CB-CG 4.49Å; C84-F120 HydrophobicContact CB-CZ 4.46Å; C84-F120 CarbonylContact O-C 3.5Å; C84-F120 VanDerWaalsContact O-CA 3.25Å; C84-F120 WeakPolarHBondContact O-CA 3.34Å; L86-F120 HydrophobicContact CD1-CD1 3.95Å; L86-F120 HydrophobicContact CD1-CE1 4.49Å; L86-F120 HydrophobicContact CG-CD1 4.08Å; R103-F120 HydrophobicContact CG-CE1 4.08Å; R103-F120 HydrophobicContact CG-CE2 4.36Å; R103-F120 HydrophobicContact CG-CZ 3.91Å; F106-F120 HydrophobicContact CB-CE1 4.49Å; F106-F120 AromaticContact CD1-CE1 3.74Å; F106-F120 HydrophobicContact CD1-CE1 3.74Å; F106-F120 AromaticContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CE1-CE1 4.32Å; F106-F120 HydrophobicContact CE1-CZ 4.09Å; F106-F120 HydrophobicContact CG-CE1 4.25Å; F106-F120 HydrophobicContact CG-CZ 4.46Å; L107-F120 HydrophobicContact CD2-CE2 3.87Å; L107-F120 HydrophobicContact CD2-CZ 3.7Å; L107-F120 HydrophobicContact CG-CE2 4.39Å; L107-F120 HydrophobicContact CG-CZ 3.95Å; F118-F120 HydrophobicContact CB-CE2 4.22Å; F118-F120 HydrophobicContact CD1-CD2 4.03Å; F118-F120 HydrophobicContact CD1-CE1 4.5Å; F118-F120 AromaticContact CD1-CE2 3.65Å; F118-F120 HydrophobicContact CD1-CE2 3.65Å; F118-F120 AromaticContact CD1-CZ 3.91Å; F118-F120 HydrophobicContact CD1-CZ 3.91Å; F118-F120 HydrophobicContact CG-CE2 4.39Å; F118-F120 WeakPolarHBondContact O-CD2 3.41Å; F118-F120 PolarHBondContact O-N 2.92Å; F120-I149 HydrophobicContact CB-CD1 3.68Å; F120-I149 HydrophobicContact CB-CG1 4Å; F120-I149 HydrophobicContact CB-CG2 4.01Å; F120-I149 HydrophobicContact CG-CD1 4.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.49Å; F120-P150 WeakPolarHBondContact O-CD 3.28Å |
| 121 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.8 | 165.5 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | C84 V85 L86 L123 P150 F152 I169 | C84-V121 PolarHBondContact O-N 3.21Å; V85-V121 CarbonylContact C-O 3.57Å; V85-V121 WeakPolarHBondContact CA-O 3.47Å; L86-V121 PolarHBondContact N-O 3.18Å; V121-L123 HydrophobicContact CG1-CD2 3.98Å; V121-P150 HydrophobicContact CG2-CB 4.4Å; V121-F152 HydrophobicContact CG1-CD2 3.85Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V121-I169 HydrophobicContact CB-CD1 4.39Å; V121-I169 HydrophobicContact CB-CG1 3.76Å; V121-I169 HydrophobicContact CG1-CD1 4.27Å; V121-I169 HydrophobicContact CG1-CG1 3.94Å; V121-I169 HydrophobicContact CG2-CG1 3.65Å |
| 122 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.7 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L86 F88 L99 W142 I149 P150 Y151 F152 | L86-V122 HydrophobicContact CB-CG2 4.18Å; L86-V122 HydrophobicContact CD1-CG2 4.48Å; L86-V122 CarbonylContact O-C 3.56Å; L86-V122 VanDerWaalsContact O-CA 3.31Å; L86-V122 WeakPolarHBondContact O-CA 3.19Å; F88-V122 HydrophobicContact CD1-CG1 4.02Å; F88-V122 HydrophobicContact CE1-CG1 3.79Å; L99-V122 HydrophobicContact CD1-CG1 4.13Å; V122-W142 HydrophobicContact CG2-CE3 4.35Å; V122-W142 HydrophobicContact CG2-CZ3 3.67Å; V122-I149 HydrophobicContact CB-CG2 4.44Å; V122-I149 HydrophobicContact CG2-CG2 3.74Å; V122-P150 PolarHBondContact N-O 3.12Å; V122-Y151 HydrophobicContact CB-CD2 4.02Å; V122-Y151 HydrophobicContact CG1-CD2 3.75Å; V122-Y151 HydrophobicContact CG1-CE2 4.13Å; V122-Y151 WeakPolarHBondContact O-CA 3.4Å; V122-Y151 WeakPolarHBondContact O-CD2 3.44Å; V122-F152 PolarHBondContact O-N 2.86Å |
| 123 | L | 98.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.9 | 175.9 | -50.7 | -176.2 | 0 | 0 | 0 | 110.3 | L24 V85 L86 V87 F88 V121 N125 F152 T154 A165 | L24-L123 HydrophobicContact CD1-CD1 3.9Å; V85-L123 HydrophobicContact CG1-CD1 3.5Å; V85-L123 VanDerWaalsContact CG1-CD1 3.5Å; V85-L123 HydrophobicContact CG1-CG 3.65Å; L86-L123 PolarHBondContact O-N 2.77Å; V87-L123 WeakPolarHBondContact CA-O 3.39Å; V87-L123 HydrophobicContact CG1-CB 4.43Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.32Å; F88-L123 WeakPolarHBondContact CD1-O 3.3Å; F88-L123 PolarHBondContact N-O 3.04Å; V121-L123 HydrophobicContact CG1-CD2 3.98Å; L123-N125 PolarHBondContact O-N 2.85Å; L123-F152 WeakPolarHBondContact CA-O 3.3Å; L123-F152 HydrophobicContact CD2-CB 3.85Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; L123-T154 HydrophobicContact CD2-CG2 4.19Å; L123-A165 HydrophobicContact CD2-CB 3.61Å |
| 124 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 96.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F88 F152 E153 T154 | F88-G124 VanDerWaalsContact CE1-CA 3.41Å; G124-F152 PolarHBondContact N-O 2.8Å; G124-E153 WeakPolarHBondContact O-CA 2.98Å; G124-T154 PolarHBondContact O-N 3.29Å |
| 125 | N | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 165.2 | -172.2 | -167.8 | 38.4 | 0 | 0 | 0 | 112.8 | V19 L24 V87 F88 V90 L123 T154 A156 | V19-N125 PolarHBondContact O-ND2 2.83Å; L24-N125 HydrophobicContact CD1-CB 4.24Å; V87-N125 HydrophobicContact CG1-CB 4.06Å; F88-N125 PolarHBondContact O-N 3.34Å; V90-N125 WeakPolarHBondContact CG2-O 3.5Å; V90-N125 PolarHBondContact N-O 3.16Å; L123-N125 PolarHBondContact O-N 2.85Å; N125-T154 CarbonylContact C-O 3.59Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.41Å; N125-T154 PolarHBondContact OD1-O 3.23Å; N125-T154 PolarHBondContact OD1-OG1 2.98Å; N125-A156 PolarHBondContact OD1-N 3.08Å |
| 126 | K | 98.4 | Very high | 97.1 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 22% | 0.222 | 26% | 0.264 | C | S | . | . | trans | 69.4 | 37.1 | 178.4 | -45.2 | -168.9 | -164 | 167.1 | 0 | 114.5 | G18 V19 D89 D128 L129 T154 | G18-K126 VanDerWaalsContact O-CE 3.26Å; G18-K126 WeakPolarHBondContact O-CE 3.43Å; G18-K126 PolarHBondContact O-NZ 2.96Å; V19-K126 WeakPolarHBondContact O-CE 3.33Å; D89-K126 VanDerWaalsContact OD2-CD 3.27Å; D89-K126 WeakPolarHBondContact OD2-CD 3.47Å; D89-K126 WeakPolarHBondContact OD2-CE 3.48Å; D89-K126 IonicContact OD2-NZ 3.57Å; D89-K126 PolarHBondContact OD2-NZ 2.89Å; K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 3.47Å; K126-L129 HydrophobicContact CB-CD1 3.93Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.04Å; K126-L129 PolarHBondContact O-N 3.16Å; K126-L129 VanDerWaalsContact O-N 3.15Å; K126-T154 PolarHBondContact N-O 3.47Å | ||
| 127 | I | 98.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.4 | 175.3 | 67.8 | 177.8 | 0 | 0 | 0 | 114 | V90 L129 E153 T154 I160 | V90-I127 HydrophobicContact CG1-CG2 4.1Å; V90-I127 HydrophobicContact CG2-CG2 4.23Å; I127-L129 PolarHBondContact O-N 2.81Å; I127-E153 HydrophobicContact CD1-CB 4.18Å; I127-E153 HydrophobicContact CG2-CB 3.86Å; I127-E153 HydrophobicContact CG2-CG 4.32Å; I127-T154 PolarHBondContact N-O 2.79Å; I127-I160 HydrophobicContact CD1-CB 4.27Å; I127-I160 HydrophobicContact CD1-CD1 4.47Å; I127-I160 HydrophobicContact CD1-CG2 3.8Å |
| 128 | D | 98.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.7 | 171.2 | 56.3 | -77.8 | 0 | 0 | 0 | 113.3 | K126 S155 K157 E158 | K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 3.47Å; D128-S155 VanDerWaalsContact CG-OG 3.25Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.5Å; D128-S155 PolarHBondContact OD1-OG 3.05Å; D128-K157 WeakPolarHBondContact OD2-CD 3.43Å; D128-K157 IonicContact OD2-NZ 2.68Å; D128-E158 HydrophobicContact CB-CG 3.93Å |
| 129 | L | 96.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -92.3 | 133.1 | 177.5 | -58.6 | -179.2 | 0 | 0 | 0 | 111.3 | T91 K126 I127 N131 | T91-L129 HydrophobicContact CG2-CB 3.65Å; T91-L129 HydrophobicContact CG2-CD1 3.84Å; T91-L129 HydrophobicContact CG2-CG 4.37Å; K126-L129 HydrophobicContact CB-CD1 3.93Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.04Å; K126-L129 PolarHBondContact O-N 3.16Å; K126-L129 VanDerWaalsContact O-N 3.15Å; I127-L129 PolarHBondContact O-N 2.81Å; L129-N131 PolarHBondContact O-N 3.46Å |
| 130 | E | 90.9 | Very high | 97.8 | Very high | 190 Ų | 190 | 59.1 Ų | 59.1 | 89% | 0.888 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -69.9 | -28 | -176.2 | -62.4 | -178 | 170.1 | 0 | 0 | 113.7 | R132 | E130-R132 PolarHBondContact O-N 2.69Š|
| 131 | N | 94.3 | Very high | 97.8 | Very high | 130 Ų | 130 | 61.2 Ų | 61.2 | 70% | 0.695 | 30% | 0.299 | S | S | * | . | trans | -82.7 | 51.1 | -175.3 | -68.6 | -35.4 | 0 | 0 | 0 | 113.1 | T91 L129 Q133 | T91-N131 WeakPolarHBondContact CB-O 3.4Å; L129-N131 PolarHBondContact O-N 3.46Å; N131-Q133 PolarHBondContact O-N 2.91Å | ||
| 132 | R | 97.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | trans | -61.1 | 132.7 | 175.6 | 173.7 | 179.3 | -78.3 | -150.4 | -6.2 | 110.8 | V90 E130 V134 T136 E153 | V90-R132 HydrophobicContact CB-CG 4.5Å; E130-R132 PolarHBondContact O-N 2.69Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.37Å; R132-V134 VanDerWaalsContact CG-O 3.23Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å; R132-T136 PolarHBondContact NH1-OG1 2.81Å; R132-E153 IonicContact CZ-OE1 2.95Å; R132-E153 IonicContact CZ-OE2 3.55Å; R132-E153 IonicContact NH1-OE1 2.68Å; R132-E153 PolarHBondContact NH1-OE1 2.78Å; R132-E153 IonicContact NH1-OE2 3.04Å; R132-E153 IonicContact NH2-OE1 3.85Å; R132-E153 PolarHBondContact NH2-OE1 3.32Å; R132-E153 IonicContact NH2-OE2 3.35Å; R132-E153 PolarHBondContact NH2-OE2 3.18Å | ||
| 133 | Q | 98.1 | Very high | 97.7 | Very high | 124 Ų | 124 | 62.6 Ų | 62.6 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | trans | -122.3 | -13.7 | 176.4 | -58.3 | -169.4 | 27.7 | 0 | 0 | 113.7 | V90 T91 P93 N131 | V90-Q133 PolarHBondContact O-N 3.43Å; T91-Q133 VanDerWaalsContact O-CD 3.27Å; T91-Q133 WeakPolarHBondContact O-CG 3.17Å; T91-Q133 PolarHBondContact O-NE2 2.96Å; P93-Q133 VanDerWaalsContact CD-OE1 3.26Å; P93-Q133 HydrophobicContact CG-CB 3.41Å; P93-Q133 VanDerWaalsContact CG-CB 3.41Å; P93-Q133 HydrophobicContact CG-CG 4.36Å; P93-Q133 VanDerWaalsContact CG-OE1 3.31Å; N131-Q133 PolarHBondContact O-N 2.91Å | ||
| 134 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -108.9 | 120.1 | 172.3 | -176 | 0 | 0 | 0 | 0 | 108.8 | F88 V90 P93 F96 R132 A139 | F88-V134 HydrophobicContact CE2-CB 3.96Å; F88-V134 HydrophobicContact CE2-CG1 3.74Å; F88-V134 HydrophobicContact CE2-CG2 4.25Å; F88-V134 HydrophobicContact CZ-CG1 4.19Å; V90-V134 PolarHBondContact O-N 3Å; P93-V134 HydrophobicContact CB-CG2 4.25Å; P93-V134 HydrophobicContact CG-CG2 4.37Å; F96-V134 HydrophobicContact CB-CG1 4.37Å; F96-V134 HydrophobicContact CB-CG2 3.98Å; F96-V134 HydrophobicContact CD1-CG1 4.32Å; F96-V134 HydrophobicContact CD2-CG1 4.09Å; F96-V134 HydrophobicContact CG-CG1 3.98Å; F96-V134 HydrophobicContact CG-CG2 4.44Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.37Å; R132-V134 VanDerWaalsContact CG-O 3.23Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å; V134-A139 HydrophobicContact CG1-CB 4.48Å |
| 135 | T | 98.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 72.8 Ų | 72.8 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | trans | -79.6 | 147.1 | -179.5 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | K137 R138 A139 | T135-K137 VanDerWaalsContact C-N 3.25Å; T135-K137 PolarHBondContact O-N 3.14Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.1Å; T135-R138 VanDerWaalsContact OG1-CB 3.3Å; T135-R138 WeakPolarHBondContact OG1-CB 3.5Å; T135-R138 PolarHBondContact OG1-N 3.49Å; T135-A139 PolarHBondContact O-N 3.22Å; T135-A139 VanDerWaalsContact O-N 3.11Å | ||
| 136 | T | 98 | Very high | 97.5 | Very high | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -51.6 | -46.3 | 175.1 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | R132 R138 A139 Q140 Y151 E153 | R132-T136 PolarHBondContact NH1-OG1 2.81Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 2.86Å; T136-A139 PolarHBondContact O-N 3.11Å; T136-Q140 HydrophobicContact CG2-CG 4.26Å; T136-Q140 WeakPolarHBondContact O-CB 3.11Å; T136-Q140 WeakPolarHBondContact O-CG 3.49Å; T136-Q140 PolarHBondContact O-N 3.05Å; T136-Y151 HydrophobicContact CG2-CE1 4.18Å; T136-E153 VanDerWaalsContact CB-OE1 3.29Å; T136-E153 WeakPolarHBondContact CB-OE1 3.39Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.29Å; T136-E153 PolarHBondContact OG1-OE1 3.18Å |
| 137 | K | 98.3 | Very high | 97.3 | Very high | 171 Ų | 171 | 77.1 Ų | 77.1 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.9 | -40.7 | 179.7 | -177.3 | 175.7 | 175 | 176.8 | 0 | 112.3 | T135 A141 | T135-K137 VanDerWaalsContact C-N 3.25Å; T135-K137 PolarHBondContact O-N 3.14Å; K137-A141 VanDerWaalsContact O-CB 3.3Å; K137-A141 WeakPolarHBondContact O-CB 3.48Å; K137-A141 PolarHBondContact O-N 3.21Å |
| 138 | R | 98.2 | Very high | 97.2 | Very high | 114 Ų | 114 | 80.7 Ų | 80.7 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 178.2 | 179.4 | -179.7 | 176.7 | 172.4 | 1.6 | 111.2 | F96 T135 T136 A141 W142 | F96-R138 HydrophobicContact CE1-CG 4.04Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.1Å; T135-R138 VanDerWaalsContact OG1-CB 3.3Å; T135-R138 WeakPolarHBondContact OG1-CB 3.5Å; T135-R138 PolarHBondContact OG1-N 3.49Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 2.86Å; R138-A141 PolarHBondContact O-N 3.03Å; R138-W142 PolarHBondContact O-N 3.48Å |
| 139 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F88 F96 V134 T135 T136 A141 W142 C143 Y151 | F88-A139 HydrophobicContact CE1-CB 4.39Å; F88-A139 HydrophobicContact CZ-CB 3.9Å; F96-A139 HydrophobicContact CE2-CB 3.89Å; F96-A139 HydrophobicContact CZ-CB 4.4Å; V134-A139 HydrophobicContact CG1-CB 4.48Å; T135-A139 PolarHBondContact O-N 3.22Å; T135-A139 VanDerWaalsContact O-N 3.11Å; T136-A139 PolarHBondContact O-N 3.11Å; A139-A141 PolarHBondContact O-N 3.29Å; A139-W142 PolarHBondContact O-N 3.16Å; A139-C143 PolarHBondContact O-N 3.3Å; A139-C143 PolarHBondContact O-SG 3.34Å; A139-Y151 HydrophobicContact CB-CD1 4.45Å; A139-Y151 HydrophobicContact CB-CE1 3.79Å; A139-Y151 HydrophobicContact CB-CE2 3.89Å; A139-Y151 VanDerWaalsContact CB-CZ 3.47Å |
| 140 | Q | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 78.3 Ų | 78.3 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.9 | -74.8 | 175.4 | -24.1 | 0 | 0 | 112.5 | T136 W142 C143 Q144 Y151 | T136-Q140 HydrophobicContact CG2-CG 4.26Å; T136-Q140 WeakPolarHBondContact O-CB 3.11Å; T136-Q140 WeakPolarHBondContact O-CG 3.49Å; T136-Q140 PolarHBondContact O-N 3.05Å; Q140-W142 VanDerWaalsContact C-N 3.3Å; Q140-W142 PolarHBondContact O-N 3.34Å; Q140-C143 PolarHBondContact O-N 3Å; Q140-C143 VanDerWaalsContact O-N 3.15Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.27Å; Q140-Y151 HydrophobicContact CG-CD1 3.58Å; Q140-Y151 HydrophobicContact CG-CE1 4.1Å |
| 141 | A | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 71 Ų | 71 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K137 R138 A139 Q144 S145 | K137-A141 VanDerWaalsContact O-CB 3.3Å; K137-A141 WeakPolarHBondContact O-CB 3.48Å; K137-A141 PolarHBondContact O-N 3.21Å; R138-A141 PolarHBondContact O-N 3.03Å; A139-A141 PolarHBondContact O-N 3.29Å; A141-Q144 PolarHBondContact O-N 3.22Å; A141-S145 PolarHBondContact O-N 3.48Å; A141-S145 VanDerWaalsContact O-N 3.1Å |
| 142 | W | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 66.8 Ų | 66.8 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.5 | -175.9 | 94.5 | 0 | 0 | 0 | 111.7 | L86 F96 L99 D100 V122 R138 A139 Q140 Q144 S145 K146 I149 | L86-W142 HydrophobicContact CD1-CH2 4Å; F96-W142 HydrophobicContact CE2-CB 4.43Å; F96-W142 HydrophobicContact CZ-CB 3.68Å; F96-W142 AromaticContact CZ-CG 3.98Å; F96-W142 HydrophobicContact CZ-CG 3.98Å; L99-W142 HydrophobicContact CB-CH2 3.92Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.41Å; D100-W142 PolarHBondContact OD1-NE1 3.31Å; D100-W142 PolarHBondContact OD2-NE1 2.92Å; V122-W142 HydrophobicContact CG2-CE3 4.35Å; V122-W142 HydrophobicContact CG2-CZ3 3.67Å; R138-W142 PolarHBondContact O-N 3.48Å; A139-W142 PolarHBondContact O-N 3.16Å; Q140-W142 VanDerWaalsContact C-N 3.3Å; Q140-W142 PolarHBondContact O-N 3.34Å; W142-Q144 VanDerWaalsContact C-N 3.31Å; W142-Q144 PolarHBondContact O-N 3.35Å; W142-S145 PolarHBondContact O-N 3.31Å; W142-S145 PolarHBondContact O-OG 3.04Å; W142-K146 HydrophobicContact CD2-CG 4.04Å; W142-K146 HydrophobicContact CE3-CG 4.18Å; W142-K146 HydrophobicContact CH2-CG 4.15Å; W142-K146 HydrophobicContact CZ2-CD 4.43Å; W142-K146 HydrophobicContact CZ2-CG 4.02Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CB 3.47Å; W142-K146 WeakPolarHBondContact O-CG 3.29Å; W142-K146 PolarHBondContact O-N 3.42Å; W142-I149 HydrophobicContact CZ3-CD1 4.38Å |
| 143 | C | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.1 | -61.3 | 0 | 0 | 0 | 0 | 112 | A139 Q140 K146 N148 I149 | A139-C143 PolarHBondContact O-N 3.3Å; A139-C143 PolarHBondContact O-SG 3.34Å; Q140-C143 PolarHBondContact O-N 3Å; Q140-C143 VanDerWaalsContact O-N 3.15Å; C143-K146 PolarHBondContact O-N 3.41Å; C143-N148 WeakPolarHBondContact O-CA 3.27Å; C143-N148 PolarHBondContact O-N 2.97Å; C143-I149 HydrophobicContact CB-CB 4.2Å; C143-I149 VanDerWaalsContact CB-O 3.3Å; C143-I149 WeakPolarHBondContact CB-O 3.12Å; C143-I149 PolarHBondContact O-N 3.3Å |
| 144 | Q | 97.8 | Very high | 98 | Very high | 126 Ų | 126 | 58.4 Ų | 58.4 | 59% | 0.589 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 175 | -74.5 | 171.9 | -2 | 0 | 0 | 112.3 | Q140 A141 W142 K146 N148 | Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.27Å; A141-Q144 PolarHBondContact O-N 3.22Å; W142-Q144 VanDerWaalsContact C-N 3.31Å; W142-Q144 PolarHBondContact O-N 3.35Å; Q144-K146 PolarHBondContact O-N 3.15Å; Q144-K146 VanDerWaalsContact O-N 3.16Å; Q144-N148 PolarHBondContact O-N 3.22Å |
| 145 | S | 97.5 | Very high | 98 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.1 | -11.8 | 178.4 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | A141 W142 | A141-S145 PolarHBondContact O-N 3.48Å; A141-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-N 3.31Å; W142-S145 PolarHBondContact O-OG 3.04Å |
| 146 | K | 96.1 | Very high | 98 | Very high | 49 Ų | 49 | 54.7 Ų | 54.7 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 34.6 | -174.3 | -72 | -59.7 | -175 | 175.1 | 0 | 113.2 | D100 R103 W142 C143 Q144 I149 | D100-K146 WeakPolarHBondContact OD1-CE 3.43Å; D100-K146 IonicContact OD1-NZ 3.87Å; D100-K146 PolarHBondContact OD1-NZ 3.01Å; R103-K146 VanDerWaalsContact NH1-CB 3.32Å; R103-K146 PolarHBondContact NH1-O 2.84Å; W142-K146 HydrophobicContact CD2-CG 4.04Å; W142-K146 HydrophobicContact CE3-CG 4.18Å; W142-K146 HydrophobicContact CH2-CG 4.15Å; W142-K146 HydrophobicContact CZ2-CD 4.43Å; W142-K146 HydrophobicContact CZ2-CG 4.02Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CB 3.47Å; W142-K146 WeakPolarHBondContact O-CG 3.29Å; W142-K146 PolarHBondContact O-N 3.42Å; C143-K146 PolarHBondContact O-N 3.41Å; Q144-K146 PolarHBondContact O-N 3.15Å; Q144-K146 VanDerWaalsContact O-N 3.16Å; K146-I149 HydrophobicContact CB-CD1 3.67Å; K146-I149 HydrophobicContact CB-CG1 4.27Å; K146-I149 WeakPolarHBondContact O-CD1 3.43Å; K146-I149 WeakPolarHBondContact O-CG1 3.39Å |
| 147 | N | 94.9 | Very high | 98 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 41.5 | -173.8 | -157.2 | 25.8 | 0 | 0 | 0 | 113.3 | E116 N117 I149 | E116-N147 PolarHBondContact O-ND2 3.25Å; N117-N147 PolarHBondContact OD1-ND2 2.99Å; N147-I149 PolarHBondContact O-N 3.44Å |
| 148 | N | 96.3 | Very high | 98 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 54.2 | 47.9 | 175.4 | -161.9 | 45.6 | 0 | 0 | 0 | 114.5 | C143 Q144 | C143-N148 WeakPolarHBondContact O-CA 3.27Å; C143-N148 PolarHBondContact O-N 2.97Å; Q144-N148 PolarHBondContact O-N 3.22Å |
| 149 | I | 98.2 | Very high | 98 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | trans | -58.3 | 133.9 | 177.8 | -67.4 | 172.1 | 0 | 0 | 0 | 110.3 | F120 V122 W142 C143 K146 N147 Y151 | F120-I149 HydrophobicContact CB-CD1 3.68Å; F120-I149 HydrophobicContact CB-CG1 4Å; F120-I149 HydrophobicContact CB-CG2 4.01Å; F120-I149 HydrophobicContact CG-CD1 4.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.49Å; V122-I149 HydrophobicContact CB-CG2 4.44Å; V122-I149 HydrophobicContact CG2-CG2 3.74Å; W142-I149 HydrophobicContact CZ3-CD1 4.38Å; C143-I149 HydrophobicContact CB-CB 4.2Å; C143-I149 VanDerWaalsContact CB-O 3.3Å; C143-I149 WeakPolarHBondContact CB-O 3.12Å; C143-I149 PolarHBondContact O-N 3.3Å; K146-I149 HydrophobicContact CB-CD1 3.67Å; K146-I149 HydrophobicContact CB-CG1 4.27Å; K146-I149 WeakPolarHBondContact O-CD1 3.43Å; K146-I149 WeakPolarHBondContact O-CG1 3.39Å; N147-I149 PolarHBondContact O-N 3.44Å; I149-Y151 PolarHBondContact O-N 2.87Å | ||
| 150 | P | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | trans | -59.1 | 132.6 | 171.1 | -25.4 | 34.9 | 0 | 0 | 0 | 112.4 | F120 V121 V122 F152 T168 | F120-P150 WeakPolarHBondContact O-CD 3.28Å; V121-P150 HydrophobicContact CG2-CB 4.4Å; V122-P150 PolarHBondContact N-O 3.12Å; P150-F152 HydrophobicContact CB-CE2 4.03Å; P150-T168 HydrophobicContact CB-CG2 4.16Å; P150-T168 HydrophobicContact CG-CG2 4.31Å | ||
| 151 | Y | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 14% | 0.137 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.9 | -180 | 174.5 | -122.1 | 0 | 0 | 0 | 111.5 | F88 V122 T136 A139 Q140 I149 E153 | F88-Y151 AromaticContact CE1-CE2 3.77Å; F88-Y151 HydrophobicContact CE1-CE2 3.77Å; F88-Y151 AromaticContact CZ-CE2 4Å; F88-Y151 HydrophobicContact CZ-CE2 4Å; V122-Y151 HydrophobicContact CB-CD2 4.02Å; V122-Y151 HydrophobicContact CG1-CD2 3.75Å; V122-Y151 HydrophobicContact CG1-CE2 4.13Å; V122-Y151 WeakPolarHBondContact O-CA 3.4Å; V122-Y151 WeakPolarHBondContact O-CD2 3.44Å; T136-Y151 HydrophobicContact CG2-CE1 4.18Å; A139-Y151 HydrophobicContact CB-CD1 4.45Å; A139-Y151 HydrophobicContact CB-CE1 3.79Å; A139-Y151 HydrophobicContact CB-CE2 3.89Å; A139-Y151 VanDerWaalsContact CB-CZ 3.47Å; Q140-Y151 HydrophobicContact CG-CD1 3.58Å; Q140-Y151 HydrophobicContact CG-CE1 4.1Å; I149-Y151 PolarHBondContact O-N 2.87Å; Y151-E153 HydrophobicContact CE1-CG 3.8Å; Y151-E153 VanDerWaalsContact OH-CG 3.24Å; Y151-E153 WeakPolarHBondContact OH-CG 3.23Å; Y151-E153 PolarHBondContact OH-OE1 2.82Å |
| 152 | F | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139 | 173.9 | -62.1 | -93.6 | 0 | 0 | 0 | 111 | V121 V122 L123 G124 P150 T154 Q164 A165 T168 | V121-F152 HydrophobicContact CG1-CD2 3.85Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V122-F152 PolarHBondContact O-N 2.86Å; L123-F152 WeakPolarHBondContact CA-O 3.3Å; L123-F152 HydrophobicContact CD2-CB 3.85Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; G124-F152 PolarHBondContact N-O 2.8Å; P150-F152 HydrophobicContact CB-CE2 4.03Å; F152-T154 HydrophobicContact CB-CG2 4.05Å; F152-Q164 HydrophobicContact CE1-CB 4.43Å; F152-A165 HydrophobicContact CB-CB 4.05Å; F152-A165 HydrophobicContact CD1-CB 4.25Å; F152-A165 HydrophobicContact CD2-CB 3.99Å; F152-A165 HydrophobicContact CG-CB 3.82Å; F152-T168 HydrophobicContact CE2-CG2 4.02Å; F152-T168 HydrophobicContact CZ-CG2 4.06Å; F152-T168 VanDerWaalsContact CZ-OG1 3.28Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.26Å |
| 153 | E | 98.7 | Very high | 98 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.1 | 166.9 | -78.1 | -167.5 | 171.9 | 0 | 0 | 108.7 | G124 I127 R132 T136 Y151 N161 | G124-E153 WeakPolarHBondContact O-CA 2.98Å; I127-E153 HydrophobicContact CD1-CB 4.18Å; I127-E153 HydrophobicContact CG2-CB 3.86Å; I127-E153 HydrophobicContact CG2-CG 4.32Å; R132-E153 IonicContact CZ-OE1 2.95Å; R132-E153 IonicContact CZ-OE2 3.55Å; R132-E153 IonicContact NH1-OE1 2.68Å; R132-E153 PolarHBondContact NH1-OE1 2.78Å; R132-E153 IonicContact NH1-OE2 3.04Å; R132-E153 IonicContact NH2-OE1 3.85Å; R132-E153 PolarHBondContact NH2-OE1 3.32Å; R132-E153 IonicContact NH2-OE2 3.35Å; R132-E153 PolarHBondContact NH2-OE2 3.18Å; T136-E153 VanDerWaalsContact CB-OE1 3.29Å; T136-E153 WeakPolarHBondContact CB-OE1 3.39Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.29Å; T136-E153 PolarHBondContact OG1-OE1 3.18Å; Y151-E153 HydrophobicContact CE1-CG 3.8Å; Y151-E153 VanDerWaalsContact OH-CG 3.24Å; Y151-E153 WeakPolarHBondContact OH-CG 3.23Å; Y151-E153 PolarHBondContact OH-OE1 2.82Å; E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.38Å; E153-N161 PolarHBondContact O-ND2 2.93Å |
| 154 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 153.1 | -169.7 | 63 | 0 | 0 | 0 | 0 | 112.8 | L123 G124 N125 K126 I127 F152 I160 N161 A165 | L123-T154 HydrophobicContact CD2-CG2 4.19Å; G124-T154 PolarHBondContact O-N 3.29Å; N125-T154 CarbonylContact C-O 3.59Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.41Å; N125-T154 PolarHBondContact OD1-O 3.23Å; N125-T154 PolarHBondContact OD1-OG1 2.98Å; K126-T154 PolarHBondContact N-O 3.47Å; I127-T154 PolarHBondContact N-O 2.79Å; F152-T154 HydrophobicContact CB-CG2 4.05Å; T154-I160 VanDerWaalsContact CA-O 3.29Å; T154-I160 WeakPolarHBondContact CA-O 3.31Å; T154-N161 HydrophobicContact CG2-CB 4.16Å; T154-A165 HydrophobicContact CG2-CB 4.36Å |
| 155 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -125.3 | 111.9 | 160.5 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | D128 K157 E158 A159 I160 | D128-S155 VanDerWaalsContact CG-OG 3.25Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.5Å; D128-S155 PolarHBondContact OD1-OG 3.05Å; S155-K157 PolarHBondContact O-N 3.24Å; S155-K157 PolarHBondContact OG-N 3Å; S155-E158 PolarHBondContact OG-N 2.58Å; S155-A159 CarbonylContact O-C 3.39Å; S155-A159 VanDerWaalsContact O-CA 3.27Å; S155-A159 WeakPolarHBondContact O-CA 3.48Å; S155-A159 PolarHBondContact O-N 2.99Å; S155-I160 PolarHBondContact N-O 3.18Å; S155-I160 PolarHBondContact O-N 3Å |
| 156 | A | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 Q27 F33 N125 | L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.03Å; Q27-A156 VanDerWaalsContact CG-O 3.26Å; Q27-A156 WeakPolarHBondContact CG-O 3.28Å; Q27-A156 PolarHBondContact NE2-O 3.17Å; F33-A156 HydrophobicContact CD2-CB 4.33Å; F33-A156 HydrophobicContact CE2-CB 4.46Å; N125-A156 PolarHBondContact OD1-N 3.08Å |
| 157 | K | 98 | Very high | 98.1 | Very high | 100 Ų | 100 | 47 Ų | 47 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -46.4 | -178.9 | -176.7 | -170.4 | -179.2 | -168.2 | 0 | 111.7 | F33 D128 S155 | F33-K157 HydrophobicContact CD1-CB 4.33Å; F33-K157 HydrophobicContact CD1-CG 4.05Å; F33-K157 HydrophobicContact CD2-CB 4.29Å; F33-K157 HydrophobicContact CE1-CB 4.01Å; F33-K157 HydrophobicContact CE1-CD 4.48Å; F33-K157 HydrophobicContact CE1-CG 3.7Å; F33-K157 HydrophobicContact CE2-CB 3.99Å; F33-K157 HydrophobicContact CG-CB 4.46Å; F33-K157 HydrophobicContact CZ-CB 3.84Å; F33-K157 HydrophobicContact CZ-CG 4Å; D128-K157 WeakPolarHBondContact OD2-CD 3.43Å; D128-K157 IonicContact OD2-NZ 2.68Å; S155-K157 PolarHBondContact O-N 3.24Å; S155-K157 PolarHBondContact OG-N 3Å |
| 158 | E | 98 | Very high | 98.3 | Very high | 111 Ų | 111 | 43.6 Ų | 43.6 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 6.2 | -175.6 | -59.9 | -170.5 | 167.6 | 0 | 0 | 113.3 | D128 S155 I160 | D128-E158 HydrophobicContact CB-CG 3.93Å; S155-E158 PolarHBondContact OG-N 2.58Å; E158-I160 HydrophobicContact CB-CD1 3.86Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 3.08Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.43Å |
| 159 | A | 98.1 | Very high | 98.4 | Very high | 49 Ų | 49 | 38 Ų | 38 | 41% | 0.405 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 17.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q27 S155 N161 | Q27-A159 HydrophobicContact CG-CB 4.4Å; S155-A159 CarbonylContact O-C 3.39Å; S155-A159 VanDerWaalsContact O-CA 3.27Å; S155-A159 WeakPolarHBondContact O-CA 3.48Å; S155-A159 PolarHBondContact O-N 2.99Å; A159-N161 PolarHBondContact O-N 2.68Å |
| 160 | I | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | B | Isolated β-bridge | trans | -72.8 | 126.8 | -175.8 | -57.7 | 168.6 | 0 | 0 | 0 | 110 | I127 T154 S155 E158 V162 | I127-I160 HydrophobicContact CD1-CB 4.27Å; I127-I160 HydrophobicContact CD1-CD1 4.47Å; I127-I160 HydrophobicContact CD1-CG2 3.8Å; T154-I160 VanDerWaalsContact CA-O 3.29Å; T154-I160 WeakPolarHBondContact CA-O 3.31Å; S155-I160 PolarHBondContact N-O 3.18Å; S155-I160 PolarHBondContact O-N 3Å; E158-I160 HydrophobicContact CB-CD1 3.86Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 3.08Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.43Å; I160-V162 PolarHBondContact O-N 3.31Å |
| 161 | N | 98.5 | Very high | 98.4 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 7.4 | 177.5 | -68.6 | -29.4 | 0 | 0 | 0 | 116.5 | E153 T154 A159 Q164 A165 | E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.38Å; E153-N161 PolarHBondContact O-ND2 2.93Å; T154-N161 HydrophobicContact CG2-CB 4.16Å; A159-N161 PolarHBondContact O-N 2.68Å; N161-Q164 VanDerWaalsContact CA-OE1 3.22Å; N161-A165 VanDerWaalsContact O-CB 3.26Å; N161-A165 WeakPolarHBondContact O-CB 3.41Å; N161-A165 PolarHBondContact O-N 3.37Å |
| 162 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | -178.5 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | L24 Q27 Y28 I160 Q164 A165 F166 | L24-V162 HydrophobicContact CD2-CG2 4.02Å; Q27-V162 HydrophobicContact CG-CG1 4.42Å; Q27-V162 HydrophobicContact CG-CG2 4.3Å; Y28-V162 HydrophobicContact CD2-CG1 4.44Å; I160-V162 PolarHBondContact O-N 3.31Å; V162-Q164 PolarHBondContact O-N 2.9Å; V162-A165 PolarHBondContact O-N 3.3Å; V162-F166 HydrophobicContact CG1-CD2 4.01Å; V162-F166 HydrophobicContact CG1-CE2 4.17Å; V162-F166 WeakPolarHBondContact O-CD2 3.49Å; V162-F166 PolarHBondContact O-N 2.95Å; V162-F166 VanDerWaalsContact O-N 3.09Å |
| 163 | E | 97.9 | Very high | 98.3 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 29% | 0.285 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.7 | -42.5 | -178.4 | -159.8 | 71 | -153.9 | 0 | 0 | 111.7 | Y28 K31 K48 A165 F166 Q167 | Y28-E163 VanDerWaalsContact CE2-OE1 3.32Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.47Å; K31-E163 IonicContact NZ-OE2 3.6Å; K31-E163 PolarHBondContact NZ-OE2 3.3Å; K48-E163 IonicContact NZ-OE1 2.75Å; K48-E163 PolarHBondContact NZ-OE1 3.4Å; K48-E163 IonicContact NZ-OE2 3.3Å; E163-A165 PolarHBondContact O-N 2.92Å; E163-F166 PolarHBondContact O-N 2.84Å; E163-Q167 WeakPolarHBondContact O-CB 3.48Å; E163-Q167 VanDerWaalsContact O-CG 3.28Å; E163-Q167 WeakPolarHBondContact O-CG 3.38Å; E163-Q167 PolarHBondContact O-N 3.44Å |
| 164 | Q | 98.3 | Very high | 98.1 | Very high | 102 Ų | 102 | 37.5 Ų | 37.5 | 48% | 0.477 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 179.7 | -64 | 86.4 | -22.8 | 0 | 0 | 111.8 | F152 N161 V162 T168 | F152-Q164 HydrophobicContact CE1-CB 4.43Å; N161-Q164 VanDerWaalsContact CA-OE1 3.22Å; V162-Q164 PolarHBondContact O-N 2.9Å; Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 3.38Å; Q164-T168 VanDerWaalsContact O-OG1 3.09Å |
| 165 | A | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -51.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L123 F152 T154 N161 V162 E163 Q167 T168 I169 | L123-A165 HydrophobicContact CD2-CB 3.61Å; F152-A165 HydrophobicContact CB-CB 4.05Å; F152-A165 HydrophobicContact CD1-CB 4.25Å; F152-A165 HydrophobicContact CD2-CB 3.99Å; F152-A165 HydrophobicContact CG-CB 3.82Å; T154-A165 HydrophobicContact CG2-CB 4.36Å; N161-A165 VanDerWaalsContact O-CB 3.26Å; N161-A165 WeakPolarHBondContact O-CB 3.41Å; N161-A165 PolarHBondContact O-N 3.37Å; V162-A165 PolarHBondContact O-N 3.3Å; E163-A165 PolarHBondContact O-N 2.92Å; A165-Q167 VanDerWaalsContact C-N 3.32Å; A165-Q167 PolarHBondContact O-N 3.41Å; A165-T168 WeakPolarHBondContact O-CB 3.26Å; A165-T168 PolarHBondContact O-N 3.38Å; A165-T168 VanDerWaalsContact O-N 3.12Å; A165-I169 WeakPolarHBondContact O-CD1 3.39Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.3Å; A165-I169 PolarHBondContact O-N 2.98Å |
| 166 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -28.7 | -178.7 | -85.1 | -88 | 0 | 0 | 0 | 113.6 | I13 L24 Y28 M59 I61 V162 E163 I169 A170 | I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.04Å; L24-F166 HydrophobicContact CB-CE2 4.48Å; Y28-F166 HydrophobicContact CD1-CB 4Å; Y28-F166 AromaticContact CD1-CD1 3.46Å; Y28-F166 HydrophobicContact CD1-CD1 3.46Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.46Å; Y28-F166 HydrophobicContact CD1-CD2 4.08Å; Y28-F166 AromaticContact CD1-CE1 3.88Å; Y28-F166 HydrophobicContact CD1-CE1 3.88Å; Y28-F166 HydrophobicContact CD1-CE2 4.43Å; Y28-F166 AromaticContact CD1-CG 3.57Å; Y28-F166 HydrophobicContact CD1-CG 3.57Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.54Å; Y28-F166 HydrophobicContact CD2-CD1 4.43Å; Y28-F166 AromaticContact CD2-CD2 3.85Å; Y28-F166 HydrophobicContact CD2-CD2 3.85Å; Y28-F166 AromaticContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CE1-CB 3.73Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.37Å; Y28-F166 AromaticContact CE1-CG 3.76Å; Y28-F166 HydrophobicContact CE1-CG 3.76Å; Y28-F166 HydrophobicContact CE2-CB 3.26Å; Y28-F166 HydrophobicContact CE2-CD2 4.46Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.9Å; Y28-F166 HydrophobicContact CG-CD1 3.9Å; Y28-F166 AromaticContact CG-CD2 3.62Å; Y28-F166 HydrophobicContact CG-CD2 3.62Å; Y28-F166 HydrophobicContact CG-CE1 4.33Å; Y28-F166 HydrophobicContact CG-CE2 4.07Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.4Å; Y28-F166 AromaticContact CZ-CG 3.92Å; M59-F166 HydrophobicContact CE-CD1 4.23Å; I61-F166 HydrophobicContact CD1-CD1 4.1Å; I61-F166 HydrophobicContact CD1-CE1 3.81Å; I61-F166 HydrophobicContact CG1-CE1 4.39Å; I61-F166 HydrophobicContact CG2-CE1 4.02Å; V162-F166 HydrophobicContact CG1-CD2 4.01Å; V162-F166 HydrophobicContact CG1-CE2 4.17Å; V162-F166 WeakPolarHBondContact O-CD2 3.49Å; V162-F166 PolarHBondContact O-N 2.95Å; V162-F166 VanDerWaalsContact O-N 3.09Å; E163-F166 PolarHBondContact O-N 2.84Å; F166-I169 HydrophobicContact CD1-CD1 4.21Å; F166-I169 HydrophobicContact CG-CD1 4.28Å; F166-I169 PolarHBondContact O-N 2.72Å; F166-A170 WeakPolarHBondContact O-CB 3.48Å; F166-A170 PolarHBondContact O-N 3.24Å |
| 167 | Q | 98.1 | Very high | 97.3 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 170 | -79.1 | -70 | 5.1 | 0 | 0 | 112.2 | E163 A165 A170 R171 | E163-Q167 WeakPolarHBondContact O-CB 3.48Å; E163-Q167 VanDerWaalsContact O-CG 3.28Å; E163-Q167 WeakPolarHBondContact O-CG 3.38Å; E163-Q167 PolarHBondContact O-N 3.44Å; A165-Q167 VanDerWaalsContact C-N 3.32Å; A165-Q167 PolarHBondContact O-N 3.41Å; Q167-A170 PolarHBondContact O-N 3.27Å; Q167-R171 PolarHBondContact O-N 2.95Å |
| 168 | T | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | P150 F152 Q164 A165 A170 R171 N172 | P150-T168 HydrophobicContact CB-CG2 4.16Å; P150-T168 HydrophobicContact CG-CG2 4.31Å; F152-T168 HydrophobicContact CE2-CG2 4.02Å; F152-T168 HydrophobicContact CZ-CG2 4.06Å; F152-T168 VanDerWaalsContact CZ-OG1 3.28Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.26Å; Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 3.38Å; Q164-T168 VanDerWaalsContact O-OG1 3.09Å; A165-T168 WeakPolarHBondContact O-CB 3.26Å; A165-T168 PolarHBondContact O-N 3.38Å; A165-T168 VanDerWaalsContact O-N 3.12Å; T168-A170 PolarHBondContact O-N 2.82Å; T168-R171 PolarHBondContact O-N 3.11Å; T168-N172 WeakPolarHBondContact O-CB 3.18Å; T168-N172 VanDerWaalsContact O-CG 3.28Å; T168-N172 PolarHBondContact O-N 3.44Å; T168-N172 PolarHBondContact O-OD1 3.36Å |
| 169 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 174.2 | -68.5 | 159.4 | 0 | 0 | 0 | 110.5 | V11 M59 C83 V85 V121 A165 F166 R171 N172 A173 | V11-I169 HydrophobicContact CB-CG2 4.39Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; M59-I169 HydrophobicContact CE-CG2 3.91Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.11Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.92Å; V85-I169 HydrophobicContact CG2-CG2 4.11Å; V121-I169 HydrophobicContact CB-CD1 4.39Å; V121-I169 HydrophobicContact CB-CG1 3.76Å; V121-I169 HydrophobicContact CG1-CD1 4.27Å; V121-I169 HydrophobicContact CG1-CG1 3.94Å; V121-I169 HydrophobicContact CG2-CG1 3.65Å; A165-I169 WeakPolarHBondContact O-CD1 3.39Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.3Å; A165-I169 PolarHBondContact O-N 2.98Å; F166-I169 HydrophobicContact CD1-CD1 4.21Å; F166-I169 HydrophobicContact CG-CD1 4.28Å; F166-I169 PolarHBondContact O-N 2.72Å; I169-R171 PolarHBondContact O-N 3.43Å; I169-N172 PolarHBondContact O-N 3.07Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.27Å; I169-A173 PolarHBondContact O-N 3.03Å |
| 170 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 V52 M59 F166 Q167 T168 L174 | V50-A170 HydrophobicContact CG1-CB 4.12Å; V52-A170 HydrophobicContact CG2-CB 3.54Å; M59-A170 HydrophobicContact CE-CB 3.86Å; M59-A170 HydrophobicContact CG-CB 4.36Å; M59-A170 HydrophobicContact SD-CB 3.59Å; M59-A170 VanDerWaalsContact SD-CB 3.59Å; F166-A170 WeakPolarHBondContact O-CB 3.48Å; F166-A170 PolarHBondContact O-N 3.24Å; Q167-A170 PolarHBondContact O-N 3.27Å; T168-A170 PolarHBondContact O-N 2.82Å; A170-L174 WeakPolarHBondContact O-CB 3.16Å; A170-L174 PolarHBondContact O-N 3.11Å |
| 171 | R | 97.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.8 | -171.3 | -179 | -63.9 | 106.6 | 1.8 | 112.5 | V52 D53 Q167 T168 I169 L174 K175 | V52-R171 HydrophobicContact CG1-CB 3.95Å; V52-R171 HydrophobicContact CG1-CG 4.27Å; D53-R171 IonicContact OD1-CZ 3.98Å; D53-R171 IonicContact OD1-NE 3.43Å; D53-R171 PolarHBondContact OD1-NE 3.1Å; D53-R171 IonicContact OD1-NH2 3.56Å; D53-R171 IonicContact OD2-NE 3.29Å; D53-R171 PolarHBondContact OD2-NE 2.91Å; Q167-R171 PolarHBondContact O-N 2.95Å; T168-R171 PolarHBondContact O-N 3.11Å; I169-R171 PolarHBondContact O-N 3.43Å; R171-L174 PolarHBondContact O-N 2.99Å; R171-K175 PolarHBondContact O-N 3.46Å; R171-K175 VanDerWaalsContact O-N 3.08Å |
| 172 | N | 97.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 180 | -68.8 | -2.2 | 0 | 0 | 0 | 111.6 | P119 T168 I169 K175 Q176 | P119-N172 HydrophobicContact CB-CB 3.83Å; T168-N172 WeakPolarHBondContact O-CB 3.18Å; T168-N172 VanDerWaalsContact O-CG 3.28Å; T168-N172 PolarHBondContact O-N 3.44Å; T168-N172 PolarHBondContact O-OD1 3.36Å; I169-N172 PolarHBondContact O-N 3.07Å; N172-K175 PolarHBondContact O-N 2.68Å; N172-Q176 PolarHBondContact O-N 3Å |
| 173 | A | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L9 V11 D82 C83 I169 K175 Q176 E177 | L9-A173 HydrophobicContact CB-CB 4.16Å; L9-A173 HydrophobicContact CD1-CB 4.07Å; L9-A173 HydrophobicContact CD2-CB 4.37Å; L9-A173 HydrophobicContact CG-CB 4.43Å; V11-A173 HydrophobicContact CG2-CB 4.48Å; D82-A173 HydrophobicContact CB-CB 3.86Å; D82-A173 WeakPolarHBondContact O-CA 3.24Å; C83-A173 HydrophobicContact CB-CB 3.82Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.27Å; I169-A173 PolarHBondContact O-N 3.03Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 2.77Å; A173-Q176 PolarHBondContact O-N 3.43Å; A173-E177 WeakPolarHBondContact O-CB 3.39Å; A173-E177 PolarHBondContact O-N 3.41Å |
| 174 | L | 95.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.6 | -177.5 | 57.9 | 0 | 0 | 0 | 112.2 | V7 L9 V52 R55 V57 A170 R171 E177 T178 | V7-L174 HydrophobicContact CG1-CD1 3.88Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.44Å; L9-L174 HydrophobicContact CD2-CD1 4.3Å; V52-L174 HydrophobicContact CB-CD2 4.19Å; V52-L174 HydrophobicContact CG1-CD2 3.96Å; R55-L174 HydrophobicContact CB-CD2 4.43Å; V57-L174 HydrophobicContact CG1-CD1 4.01Å; V57-L174 HydrophobicContact CG1-CD2 4.22Å; A170-L174 WeakPolarHBondContact O-CB 3.16Å; A170-L174 PolarHBondContact O-N 3.11Å; R171-L174 PolarHBondContact O-N 2.99Å; L174-E177 PolarHBondContact O-N 2.96Å; L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 3.29Å; L174-T178 PolarHBondContact O-OG1 2.89Å |
| 175 | K | 94.5 | Very high | 91.7 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.9 | -47.6 | 175.4 | -173.7 | -174.5 | 173 | -162.4 | 0 | 111 | R171 N172 A173 T178 E179 | R171-K175 PolarHBondContact O-N 3.46Å; R171-K175 VanDerWaalsContact O-N 3.08Å; N172-K175 PolarHBondContact O-N 2.68Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 2.77Å; K175-T178 PolarHBondContact O-N 3.36Å; K175-E179 WeakPolarHBondContact CE-OE1 3.42Å; K175-E179 IonicContact NZ-OE1 2.64Å; K175-E179 WeakPolarHBondContact O-CG 2.9Å; K175-E179 PolarHBondContact O-N 3.05Å |
| 176 | Q | 92.5 | Very high | 91 | Very high | 21 Ų | 21 | 58 Ų | 58 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.8 | 177.7 | 63.7 | 36.4 | 0 | 0 | 112.2 | D82 P119 N172 A173 T178 E179 V180 | D82-Q176 WeakPolarHBondContact O-CB 3.47Å; P119-Q176 HydrophobicContact CG-CB 3.84Å; P119-Q176 HydrophobicContact CG-CG 4.12Å; N172-Q176 PolarHBondContact O-N 3Å; A173-Q176 PolarHBondContact O-N 3.43Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 2.74Å; Q176-E179 PolarHBondContact O-N 2.8Å; Q176-V180 WeakPolarHBondContact O-CG2 3.21Å; Q176-V180 PolarHBondContact O-N 2.86Å |
| 177 | E | 90.6 | Very high | 90.1 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 179 | -175.2 | -91.3 | -179.2 | 0 | 0 | 111.1 | V7 L9 A173 L174 E179 V180 E181 | V7-E177 HydrophobicContact CG1-CG 4.27Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.16Å; A173-E177 WeakPolarHBondContact O-CB 3.39Å; A173-E177 PolarHBondContact O-N 3.41Å; L174-E177 PolarHBondContact O-N 2.96Å; E177-E179 PolarHBondContact O-N 3.19Å; E177-V180 PolarHBondContact O-N 3.14Å; E177-E181 WeakPolarHBondContact O-CG 3.21Å; E177-E181 PolarHBondContact O-N 3.16Å |
| 178 | T | 88.3 | Confident | 89.1 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | L174 K175 Q176 E181 L182 | L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 3.29Å; L174-T178 PolarHBondContact O-OG1 2.89Å; K175-T178 PolarHBondContact O-N 3.36Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 2.74Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-L182 HydrophobicContact CG2-CD1 4.13Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.07Å |
| 179 | E | 86.6 | Confident | 88.1 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.8 | -73.6 | 175.4 | -175.5 | 0 | 0 | 112.3 | K175 Q176 E177 Y183 | K175-E179 WeakPolarHBondContact CE-OE1 3.42Å; K175-E179 IonicContact NZ-OE1 2.64Å; K175-E179 WeakPolarHBondContact O-CG 2.9Å; K175-E179 PolarHBondContact O-N 3.05Å; Q176-E179 PolarHBondContact O-N 2.8Å; E177-E179 PolarHBondContact O-N 3.19Å; E179-Y183 PolarHBondContact O-N 3.38Å; E179-Y183 VanDerWaalsContact O-N 3.1Å |
| 180 | V | 84.2 | Confident | 87 | Confident | 59 Ų | 59 | 78 Ų | 78 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | Q176 E177 Y183 N184 | Q176-V180 WeakPolarHBondContact O-CG2 3.21Å; Q176-V180 PolarHBondContact O-N 2.86Å; E177-V180 PolarHBondContact O-N 3.14Å; V180-Y183 PolarHBondContact O-N 3.07Å; V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 3.47Å; V180-N184 VanDerWaalsContact O-N 3.08Å; V180-N184 PolarHBondContact O-ND2 2.86Å; V180-N184 VanDerWaalsContact O-ND2 3.13Å |
| 181 | E | 84.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 174.9 | -72.8 | -161 | 140.1 | 0 | 0 | 111.3 | K5 E177 T178 Y183 N184 E185 | K5-E181 IonicContact NZ-OE1 2.68Å; K5-E181 PolarHBondContact NZ-OE1 3.47Å; E177-E181 WeakPolarHBondContact O-CG 3.21Å; E177-E181 PolarHBondContact O-N 3.16Å; T178-E181 PolarHBondContact O-N 3.3Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.43Å; E181-N184 PolarHBondContact O-N 3.28Å; E181-N184 VanDerWaalsContact O-N 3.15Å; E181-E185 PolarHBondContact O-N 3.06Å; E181-E185 VanDerWaalsContact O-N 3.08Å |
| 182 | L | 82.2 | Confident | 83.8 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 179.5 | -76.3 | 171.7 | 0 | 0 | 0 | 112.3 | T178 E185 F186 | T178-L182 HydrophobicContact CG2-CD1 4.13Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.07Å; L182-E185 PolarHBondContact O-N 3.25Å; L182-F186 WeakPolarHBondContact O-CA 3.47Å; L182-F186 WeakPolarHBondContact O-CB 3.45Å; L182-F186 PolarHBondContact O-N 3.22Å |
| 183 | Y | 80.2 | Confident | 82 | Confident | 71 Ų | 71 | 95.3 Ų | 95.3 | 28% | 0.278 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.6 | 176.6 | -101.7 | 0 | 0 | 0 | 113.4 | R113 E179 V180 E181 E185 F186 P187 | R113-Y183 VanDerWaalsContact CZ-CG 3.48Å; R113-Y183 VanDerWaalsContact NH2-CD2 3.28Å; E179-Y183 PolarHBondContact O-N 3.38Å; E179-Y183 VanDerWaalsContact O-N 3.1Å; V180-Y183 PolarHBondContact O-N 3.07Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.43Å; Y183-E185 PolarHBondContact O-N 3.21Å; Y183-F186 CarbonylContact O-C 3.55Å; Y183-F186 VanDerWaalsContact O-C 3.26Å; Y183-F186 PolarHBondContact O-N 3.01Å; Y183-P187 HydrophobicContact CD2-CB 4.22Å; Y183-P187 VanDerWaalsContact CE2-CA 3.5Å; Y183-P187 HydrophobicContact CE2-CB 3.71Å; Y183-P187 WeakPolarHBondContact O-CA 3.44Å; Y183-P187 VanDerWaalsContact O-N 3.1Å |
| 184 | N | 81.5 | Confident | 79.9 | Confident | 120 Ų | 120 | 106.5 Ų | 106.5 | 64% | 0.642 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -32.5 | 178.2 | -70.5 | -30.6 | 0 | 0 | 0 | 111.3 | V180 E181 | V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 3.47Å; V180-N184 VanDerWaalsContact O-N 3.08Å; V180-N184 PolarHBondContact O-ND2 2.86Å; V180-N184 VanDerWaalsContact O-ND2 3.13Å; E181-N184 PolarHBondContact O-N 3.28Å; E181-N184 VanDerWaalsContact O-N 3.15Å |
| 185 | E | 81.9 | Confident | 77.9 | Confident | 127 Ų | 127 | 112.5 Ų | 112.5 | 59% | 0.593 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.3 | -37.8 | 174.3 | -65.8 | -176.5 | -179.2 | 0 | 0 | 112.5 | E181 L182 Y183 | E181-E185 PolarHBondContact O-N 3.06Å; E181-E185 VanDerWaalsContact O-N 3.08Å; L182-E185 PolarHBondContact O-N 3.25Å; Y183-E185 PolarHBondContact O-N 3.21Å |
| 186 | F | 84.1 | Confident | 76 | Confident | 146 Ų | 146 | 114.2 Ų | 114.2 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -136.9 | 82.5 | -173.9 | -55.7 | -78.4 | 0 | 0 | 0 | 111 | L182 Y183 E188 | L182-F186 WeakPolarHBondContact O-CA 3.47Å; L182-F186 WeakPolarHBondContact O-CB 3.45Å; L182-F186 PolarHBondContact O-N 3.22Å; Y183-F186 CarbonylContact O-C 3.55Å; Y183-F186 VanDerWaalsContact O-C 3.26Å; Y183-F186 PolarHBondContact O-N 3.01Å; F186-E188 PolarHBondContact O-N 3.47Å |
| 187 | P | 78.3 | Confident | 74 | Confident | 86 Ų | 86 | 124.2 Ų | 124.2 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 131.6 | -179 | 25.4 | -32.6 | 0 | 0 | 0 | 110.8 | Y183 | Y183-P187 HydrophobicContact CD2-CB 4.22Å; Y183-P187 VanDerWaalsContact CE2-CA 3.5Å; Y183-P187 HydrophobicContact CE2-CB 3.71Å; Y183-P187 WeakPolarHBondContact O-CA 3.44Å; Y183-P187 VanDerWaalsContact O-N 3.1Å |
| 188 | E | 77.1 | Confident | 72 | Confident | 150 Ų | 150 | 127.5 Ų | 127.5 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 140.3 | 175 | -70 | -165.5 | 166.4 | 0 | 0 | 111.1 | F186 I190 | F186-E188 PolarHBondContact O-N 3.47Å; E188-I190 PolarHBondContact O-N 2.75Å |
| 189 | P | 77.5 | Confident | 69.9 | Low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.3 | 179.7 | 24.6 | -31.6 | 0 | 0 | 0 | 110.7 | K191 | P189-K191 PolarHBondContact O-N 3.21Š|
| 190 | I | 75.3 | Confident | 67.7 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 78% | 0.779 | 68% | 0.683 | S | S | * | * | trans | -65.3 | 109.3 | 173.5 | -58.4 | 174.4 | 0 | 0 | 0 | 108.1 | E188 L192 | E188-I190 PolarHBondContact O-N 2.75Å; I190-L192 HydrophobicContact CG2-CD2 4.47Å; I190-L192 HydrophobicContact CG2-CG 4.49Å; I190-L192 PolarHBondContact O-N 3.18Å; I190-L192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | K | 67.3 | Low | 65.8 | Low | 194 Ų | 194 | 138.8 Ų | 138.8 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -73.7 | 99.1 | 170.3 | -68 | -176.5 | -177.6 | 175.7 | 0 | 108.5 | P189 D193 | P189-K191 PolarHBondContact O-N 3.21Å; K191-D193 PolarHBondContact O-N 2.84Å; K191-D193 VanDerWaalsContact O-N 3.13Å | ||
| 192 | L | 62.6 | Low | 63.9 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | -72.8 | 98.1 | 167.9 | -70.7 | 167.9 | 0 | 0 | 0 | 108.3 | I190 R194 | I190-L192 HydrophobicContact CG2-CD2 4.47Å; I190-L192 HydrophobicContact CG2-CG 4.49Å; I190-L192 PolarHBondContact O-N 3.18Å; I190-L192 VanDerWaalsContact O-N 3.1Å; L192-R194 PolarHBondContact O-N 3.07Å; L192-R194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | D | 59.4 | Low | 62.1 | Low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -69.4 | 110.9 | 172.2 | -124.5 | -18.1 | 0 | 0 | 0 | 108.9 | K191 N195 | K191-D193 PolarHBondContact O-N 2.84Å; K191-D193 VanDerWaalsContact O-N 3.13Å; D193-N195 PolarHBondContact O-N 3.1Å | ||
| 194 | R | 54.3 | Low | 60.5 | Low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 47.4 | -166.9 | -140 | -175.7 | -172.3 | -171.3 | 2.4 | 111.5 | L192 | L192-R194 PolarHBondContact O-N 3.07Å; L192-R194 VanDerWaalsContact O-N 3.15Å | ||
| 195 | N | 53.7 | Low | 58.7 | Low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -116.2 | 8.3 | -171.1 | -122.6 | 13 | 0 | 0 | 0 | 117.4 | D193 R197 | D193-N195 PolarHBondContact O-N 3.1Å; N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 2.88Å | ||
| 196 | D | 54.3 | Low | 57.1 | Low | 170 Ų | 170 | 147.2 Ų | 147.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -89.2 | 68.6 | 162.7 | -76.4 | -32 | 0 | 0 | 0 | 110.8 | A198 | D196-A198 PolarHBondContact O-N 3.4Š| ||
| 197 | R | 50.5 | Low | 55.6 | Low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -74.7 | 99.5 | 154.8 | -81.7 | -173.1 | 178.9 | -173.6 | 0.6 | 107.3 | N195 K199 | N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 2.88Å; R197-K199 PolarHBondContact O-N 3.02Å; R197-K199 VanDerWaalsContact O-N 3.14Å | ||
| 198 | A | 47.5 | Very low | 54.4 | Low | 91 Ų | 91 | 152.9 Ų | 152.9 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -39.1 | 118.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D196 P200 | D196-A198 PolarHBondContact O-N 3.4Å; A198-P200 WeakPolarHBondContact O-CD 3.44Å | ||
| 199 | K | 43.9 | Very low | 53.2 | Low | 197 Ų | 197 | 153.1 Ų | 153.1 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | trans | -64.3 | 123.1 | 162.6 | -76.9 | -179.7 | 176.2 | 177.4 | 0 | 106.8 | R197 S201 | R197-K199 PolarHBondContact O-N 3.02Å; R197-K199 VanDerWaalsContact O-N 3.14Å; K199-S201 PolarHBondContact O-N 3.26Å | ||
| 200 | P | 41.7 | Very low | 51.9 | Low | 125 Ų | 125 | 155.3 Ų | 155.3 | 81% | 0.812 | 85% | 0.852 | S | S | * | * | trans | -71 | 119.2 | 164 | 13.3 | -1.3 | 0 | 0 | 0 | 107.3 | A198 A202 | A198-P200 WeakPolarHBondContact O-CD 3.44Å; P200-A202 PolarHBondContact O-N 3.24Å | ||
| 201 | S | 44 | Very low | 50.5 | Low | 110 Ų | 110 | 155.5 Ų | 155.5 | 77% | 0.769 | 86% | 0.856 | S | S | * | * | trans | -67.1 | 107.5 | 164 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | K199 E203 | K199-S201 PolarHBondContact O-N 3.26Å; S201-E203 PolarHBondContact O-N 3.09Å; S201-E203 VanDerWaalsContact O-N 3.16Å | ||
| 202 | A | 44 | Very low | 49.5 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | trans | -70.3 | 104.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P200 S204 | P200-A202 PolarHBondContact O-N 3.24Å; A202-S204 PolarHBondContact O-N 3.15Å | ||
| 203 | E | 45.8 | Very low | 48.6 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 86% | 0.861 | S | S | * | * | trans | -67.8 | 109.7 | 162.3 | -75.9 | -178.7 | 154.5 | 0 | 0 | 108.6 | S201 | S201-E203 PolarHBondContact O-N 3.09Å; S201-E203 VanDerWaalsContact O-N 3.16Å | ||
| 204 | S | 45.9 | Very low | 47.8 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 79% | 0.79 | 86% | 0.862 | S | S | * | * | trans | -90.7 | 96 | 165.9 | 162.8 | 0 | 0 | 0 | 0 | 108 | A202 | A202-S204 PolarHBondContact O-N 3.15Š| ||
| 205 | C | 43.5 | Very low | 47.3 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 86% | 0.858 | 86% | 0.86 | S | S | * | * | trans | -83.8 | 122 | 165 | -159.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 206 | S | 48.4 | Very low | 46.8 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 87% | 0.868 | S | S | * | * | trans | -126.2 | 125.3 | 165.8 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 207 | C | 51.8 | Low | 46.1 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 100% | 1.345 | 86% | 0.864 | S | S | * | * | trans | -57.1 | 0 | 165.6 | -58.5 | 0 | 0 | 0 | 0 | 113 |
Retrieved 207 of 207 residues in 233 ms
(Link to these results)