| 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 | 37.9 | Very low | 76 | Confident | 244 Ų | 244 | 106.6 Ų | 106.6 | 100% | 1.202 | 52% | 0.523 | S | S | * | . | 0 | 103.6 | 0 | -70.5 | 174.6 | -176.5 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.02Š| |||
| 2 | T | 45.1 | Very low | 77.7 | Confident | 138 Ų | 138 | 97.8 Ų | 97.8 | 85% | 0.847 | 48% | 0.48 | S | S | * | . | trans | -63 | 118.4 | 173.9 | 34.6 | 0 | 0 | 0 | 0 | 108.3 | R4 | T2-R4 PolarHBondContact O-N 3.24Š| ||
| 3 | S | 53.6 | Low | 79.2 | Confident | 116 Ų | 116 | 90.4 Ų | 90.4 | 81% | 0.811 | 44% | 0.443 | S | S | * | . | trans | -52.3 | 111.4 | 172.2 | 173 | 0 | 0 | 0 | 0 | 108.5 | M1 K5 | M1-S3 PolarHBondContact O-N 3.02Å; S3-K5 PolarHBondContact O-N 2.88Å; S3-K5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | R | 62.9 | Low | 80.3 | Confident | 229 Ų | 229 | 83.9 Ų | 83.9 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | trans | -63.6 | 113.5 | 170.8 | -86.6 | -176.9 | 173.2 | 179 | -3.3 | 106.6 | T2 K6 | T2-R4 PolarHBondContact O-N 3.24Å; R4-K6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 74.6 | Confident | 81.4 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -54 | 123.8 | 175.6 | -168.6 | -177.9 | -179.7 | -169.8 | 0 | 108.3 | S3 V7 E181 | S3-K5 PolarHBondContact O-N 2.88Å; S3-K5 VanDerWaalsContact O-N 3.1Å; K5-V7 PolarHBondContact O-N 3.23Å; K5-E181 IonicContact NZ-OE1 3.62Å; K5-E181 PolarHBondContact NZ-OE1 3.09Å |
| 6 | K | 81.8 | Confident | 82.2 | Confident | 174 Ų | 174 | 75.6 Ų | 75.6 | 76% | 0.757 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 123 | 174 | -71.5 | -174.6 | 176.2 | -170.9 | 0 | 108 | R4 | R4-K6 PolarHBondContact O-N 3.18Š|
| 7 | V | 93.1 | Very high | 82.8 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.4 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | K5 L9 V57 T58 L174 E177 | K5-V7 PolarHBondContact O-N 3.23Å; V7-L9 HydrophobicContact CG1-CD2 3.5Å; V7-L9 VanDerWaalsContact CG1-CD2 3.5Å; V7-L9 HydrophobicContact CG1-CG 4.05Å; V7-V57 HydrophobicContact CB-CB 4.33Å; V7-V57 HydrophobicContact CB-CG1 4Å; V7-V57 HydrophobicContact CG1-CG1 4.31Å; V7-T58 PolarHBondContact O-N 3.45Å; V7-L174 HydrophobicContact CG1-CD1 3.86Å; V7-E177 HydrophobicContact CG1-CG 4.3Å |
| 8 | L | 95.4 | Very high | 83.4 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.8 | 173.7 | -173.6 | 154.7 | 0 | 0 | 0 | 107.8 | T58 Q60 | L8-T58 CarbonylContact C-O 3.58Å; L8-T58 WeakPolarHBondContact CA-O 3.25Å; L8-Q60 HydrophobicContact CD2-CB 4.17Å |
| 9 | L | 97.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.8 | 179.6 | -56.2 | -179.2 | 0 | 0 | 0 | 109.6 | V7 V57 T58 M59 Q60 D82 A170 A173 L174 E177 | V7-L9 HydrophobicContact CG1-CD2 3.5Å; V7-L9 VanDerWaalsContact CG1-CD2 3.5Å; V7-L9 HydrophobicContact CG1-CG 4.05Å; L9-V57 HydrophobicContact CD1-CB 4.1Å; L9-V57 HydrophobicContact CD1-CG2 3.74Å; L9-V57 HydrophobicContact CG-CB 4.39Å; L9-V57 HydrophobicContact CG-CG2 4.47Å; L9-T58 PolarHBondContact N-O 3.1Å; L9-M59 CarbonylContact O-C 3.57Å; L9-M59 WeakPolarHBondContact O-CA 3.37Å; L9-Q60 PolarHBondContact O-N 3.1Å; L9-D82 WeakPolarHBondContact CA-OD2 3.49Å; L9-A170 WeakPolarHBondContact CD1-O 3.23Å; L9-A173 HydrophobicContact CB-CB 4.1Å; L9-A173 HydrophobicContact CD1-CB 3.99Å; L9-A173 HydrophobicContact CD2-CB 4.41Å; L9-A173 HydrophobicContact CG-CB 4.4Å; L9-L174 HydrophobicContact CD1-CB 3.96Å; L9-L174 HydrophobicContact CD2-CB 4.42Å; L9-L174 HydrophobicContact CD2-CD1 4.28Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.15Å |
| 10 | K | 96.6 | Very high | 84.8 | Confident | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 113.4 | 178.9 | -175.6 | 173.1 | 177.7 | -173.8 | 0 | 110.5 | I12 F77 R79 D82 C83 | K10-I12 HydrophobicContact CG-CD1 4.26Å; K10-F77 WeakPolarHBondContact CE-O 3.43Å; K10-F77 PolarHBondContact NZ-O 3.22Å; K10-R79 PolarHBondContact NZ-O 3.1Å; K10-D82 PolarHBondContact N-OD2 3.28Å; K10-D82 PolarHBondContact O-N 2.9Å; K10-C83 PolarHBondContact O-N 2.9Å |
| 11 | V | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.4 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | M59 Q60 W62 C83 V85 I169 A173 | V11-M59 HydrophobicContact CG2-CE 3.78Å; V11-Q60 PolarHBondContact N-O 3.36Å; V11-W62 PolarHBondContact O-N 3.47Å; V11-C83 WeakPolarHBondContact CA-O 3.45Å; V11-C83 HydrophobicContact CG2-CB 4.42Å; V11-V85 HydrophobicContact CG1-CG2 3.65Å; V11-I169 HydrophobicContact CB-CG2 4.41Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.83Å; V11-A173 HydrophobicContact CG2-CB 4.45Å |
| 12 | I | 96.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.3 | 177.2 | -50.8 | -56.3 | 0 | 0 | 0 | 109.8 | K10 L14 W62 T64 Y78 A81 C83 C84 V85 F106 | K10-I12 HydrophobicContact CG-CD1 4.26Å; I12-L14 HydrophobicContact CG2-CD2 3.67Å; I12-L14 HydrophobicContact CG2-CG 3.95Å; I12-W62 HydrophobicContact CD1-CB 3.59Å; I12-W62 HydrophobicContact CD1-CD2 4.48Å; I12-W62 HydrophobicContact CD1-CG 3.66Å; I12-T64 HydrophobicContact CG2-CG2 4.08Å; I12-Y78 HydrophobicContact CG2-CD1 3.98Å; I12-Y78 HydrophobicContact CG2-CE1 4.04Å; I12-A81 HydrophobicContact CD1-CB 4.39Å; I12-A81 HydrophobicContact CG1-CB 3.63Å; I12-C83 PolarHBondContact N-O 3.31Å; I12-C84 CarbonylContact O-C 3.57Å; I12-C84 WeakPolarHBondContact O-CA 3.35Å; I12-V85 PolarHBondContact O-N 2.78Å; I12-F106 HydrophobicContact CB-CE2 4.28Å; I12-F106 HydrophobicContact CG1-CE2 4.15Å |
| 13 | I | 96.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.9 | 173.9 | -49.5 | -178.7 | 0 | 0 | 0 | 109.5 | K21 M25 I61 W62 T64 V85 V87 F166 | I13-K21 HydrophobicContact CG2-CB 3.79Å; I13-K21 HydrophobicContact CG2-CD 3.95Å; I13-K21 HydrophobicContact CG2-CG 3.81Å; I13-M25 HydrophobicContact CD1-CB 4.17Å; I13-I61 HydrophobicContact CD1-CG2 3.5Å; I13-I61 VanDerWaalsContact CD1-CG2 3.5Å; I13-I61 HydrophobicContact CG1-CG2 3.96Å; I13-W62 PolarHBondContact N-O 2.9Å; I13-T64 PolarHBondContact O-OG1 2.97Å; I13-V85 WeakPolarHBondContact CA-O 3.44Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.47Å; I13-V85 HydrophobicContact CG2-CB 4.33Å; I13-V85 HydrophobicContact CG2-CG1 4.41Å; I13-V87 HydrophobicContact CG2-CG2 3.49Å; I13-V87 VanDerWaalsContact CG2-CG2 3.49Å; I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.05Å |
| 14 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 163.8 | 179 | -57.6 | -175.8 | 0 | 0 | 0 | 111.8 | I12 K21 T64 Y78 V85 L86 V87 W102 F106 | I12-L14 HydrophobicContact CG2-CD2 3.67Å; I12-L14 HydrophobicContact CG2-CG 3.95Å; L14-K21 VanDerWaalsContact C-CD 3.46Å; L14-T64 HydrophobicContact CD2-CG2 3.83Å; L14-T64 VanDerWaalsContact CD2-OG1 3.31Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.48Å; L14-Y78 HydrophobicContact CD1-CE2 4.26Å; L14-Y78 HydrophobicContact CD2-CE1 3.87Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.25Å; L14-V85 PolarHBondContact N-O 2.85Å; L14-L86 HydrophobicContact CB-CD2 4.15Å; L14-V87 PolarHBondContact O-N 2.78Å; L14-W102 HydrophobicContact CB-CD2 4.31Å; L14-W102 HydrophobicContact CB-CE3 3.95Å; L14-W102 HydrophobicContact CB-CZ3 4.46Å; L14-W102 HydrophobicContact CD1-CE3 4.22Å; L14-W102 HydrophobicContact CD2-CE3 4.42Å; L14-W102 HydrophobicContact CD2-CZ3 4.3Å; L14-W102 HydrophobicContact CG-CE3 4.43Å; L14-F106 HydrophobicContact CD1-CB 3.77Å; L14-F106 HydrophobicContact CD1-CD2 4.03Å; L14-F106 HydrophobicContact CD1-CG 4.31Å |
| 15 | G | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 139.4 | 166.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K21 G66 V87 W102 | G15-K21 PolarHBondContact O-NZ 3.37Å; G15-G66 WeakPolarHBondContact O-CA 3.41Å; G15-V87 WeakPolarHBondContact CA-O 3.25Å; G15-W102 VanDerWaalsContact C-CE2 3.44Å; G15-W102 VanDerWaalsContact C-CZ2 3.44Å; G15-W102 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 16 | D | 94.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | trans | -60.1 | 162.6 | -174.7 | -72.3 | 12.7 | 0 | 0 | 0 | 113.3 | G18 V19 K21 T95 T98 W102 | D16-G18 PolarHBondContact O-N 2.77Å; D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.41Å; D16-K21 PolarHBondContact O-NZ 3.08Å; D16-K21 VanDerWaalsContact O-NZ 3.07Å; D16-T95 HydrophobicContact CB-CG2 4Å; D16-T95 WeakPolarHBondContact OD2-CA 3.42Å; D16-T98 VanDerWaalsContact CG-OG1 3.22Å; D16-T98 WeakPolarHBondContact OD1-CB 3.4Å; D16-T98 PolarHBondContact OD1-OG1 2.88Å; D16-T98 PolarHBondContact OD2-OG1 2.85Å; D16-W102 PolarHBondContact OD1-NE1 3.39Å | ||
| 17 | S | 92.9 | Very high | 96.1 | Very high | 46 Ų | 46 | 19.9 Ų | 19.9 | 32% | 0.322 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.6 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | V19 Y37 G66 | S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 3.46Å; S17-Y37 PolarHBondContact OG-OH 3.02Å; S17-G66 PolarHBondContact N-O 2.85Å |
| 18 | G | 93.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 19.7 Ų | 19.7 | 33% | 0.33 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D16 G20 K126 | D16-G18 PolarHBondContact O-N 2.77Å; G18-G20 PolarHBondContact O-N 2.93Å; G18-K126 VanDerWaalsContact O-CE 3.28Å; G18-K126 WeakPolarHBondContact O-CE 3.33Å; G18-K126 PolarHBondContact O-NZ 3.46Å |
| 19 | V | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -68.2 | -19.2 | 176.6 | -58 | 0 | 0 | 0 | 0 | 113.5 | D16 S17 K21 V87 D89 T95 N125 K126 | D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.41Å; S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 3.46Å; V19-K21 HydrophobicContact CG2-CD 4.41Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.26Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; V19-D89 HydrophobicContact CB-CB 4.42Å; V19-D89 HydrophobicContact CG1-CB 4.3Å; V19-T95 HydrophobicContact CG1-CG2 3.78Å; V19-N125 PolarHBondContact O-ND2 2.88Å; V19-K126 WeakPolarHBondContact O-CE 3.4Å |
| 20 | G | 96.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 106.8 | 22.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | G18 S23 L24 | G18-G20 PolarHBondContact O-N 2.93Å; G20-S23 WeakPolarHBondContact O-CB 3.4Å; G20-S23 PolarHBondContact O-N 2.63Å; G20-L24 WeakPolarHBondContact O-CG 3.34Å; G20-L24 PolarHBondContact O-N 3.3Å |
| 21 | K | 96.5 | Very high | 96.3 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52 | -55.8 | 176.2 | -56.9 | -171.4 | -60 | -76.4 | 0 | 112.9 | I13 L14 G15 D16 V19 S23 L24 M25 D63 T64 V87 | I13-K21 HydrophobicContact CG2-CB 3.79Å; I13-K21 HydrophobicContact CG2-CD 3.95Å; I13-K21 HydrophobicContact CG2-CG 3.81Å; L14-K21 VanDerWaalsContact C-CD 3.46Å; G15-K21 PolarHBondContact O-NZ 3.37Å; D16-K21 PolarHBondContact O-NZ 3.08Å; D16-K21 VanDerWaalsContact O-NZ 3.07Å; V19-K21 HydrophobicContact CG2-CD 4.41Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 2.93Å; K21-L24 PolarHBondContact O-N 2.87Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-M25 PolarHBondContact O-N 2.98Å; K21-D63 WeakPolarHBondContact CB-OD1 3.41Å; K21-T64 WeakPolarHBondContact CE-O 3.27Å; K21-V87 HydrophobicContact CG-CB 4.1Å; K21-V87 HydrophobicContact CG-CG2 4.19Å |
| 22 | T | 95.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 28% | 0.282 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.2 | -38.4 | 176.3 | -39.8 | 0 | 0 | 0 | 0 | 112.6 | N26 T40 D63 | T22-N26 WeakPolarHBondContact O-CB 3.34Å; T22-N26 PolarHBondContact O-N 3.43Å; T22-N26 PolarHBondContact O-ND2 3.45Å; T22-T40 PolarHBondContact OG1-OG1 3.36Å; T22-D63 WeakPolarHBondContact CA-OD2 3.49Å; T22-D63 VanDerWaalsContact CB-OD2 3.26Å; T22-D63 WeakPolarHBondContact CB-OD2 3Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.43Å; T22-D63 PolarHBondContact N-OD1 2.98Å; T22-D63 PolarHBondContact OG1-OD2 3.4Å |
| 23 | S | 97.2 | Very high | 96 | Very high | 35 Ų | 35 | 35.2 Ų | 35.2 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | G20 K21 Q27 | G20-S23 WeakPolarHBondContact O-CB 3.4Å; G20-S23 PolarHBondContact O-N 2.63Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 2.93Å; S23-Q27 WeakPolarHBondContact O-CB 3.45Å; S23-Q27 PolarHBondContact O-N 3.45Å |
| 24 | L | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 175.1 | -74.7 | 165.7 | 0 | 0 | 0 | 111.2 | G20 K21 Q27 Y28 V87 L123 N125 A156 V162 F166 | G20-L24 WeakPolarHBondContact O-CG 3.34Å; G20-L24 PolarHBondContact O-N 3.3Å; K21-L24 PolarHBondContact O-N 2.87Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-Q27 PolarHBondContact O-N 3.13Å; L24-Y28 WeakPolarHBondContact O-CB 3.35Å; L24-Y28 PolarHBondContact O-N 2.93Å; L24-V87 HydrophobicContact CD1-CG1 3.72Å; L24-V87 HydrophobicContact CD1-CG2 4.14Å; L24-L123 HydrophobicContact CD1-CD1 3.92Å; L24-N125 HydrophobicContact CD1-CB 4.21Å; L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.04Å; L24-V162 HydrophobicContact CD2-CG2 4.01Å; L24-F166 HydrophobicContact CB-CE2 4.47Å |
| 25 | M | 97 | Very high | 95.3 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | 176.4 | -176.4 | -178.3 | 66.3 | 0 | 0 | 111.1 | I13 K21 Q27 Y28 V29 L46 I61 D63 | I13-M25 HydrophobicContact CD1-CB 4.17Å; K21-M25 PolarHBondContact O-N 2.98Å; M25-Q27 PolarHBondContact O-N 3.39Å; M25-Y28 PolarHBondContact O-N 3.45Å; M25-V29 WeakPolarHBondContact O-CB 3.38Å; M25-V29 WeakPolarHBondContact O-CG2 3.46Å; M25-V29 PolarHBondContact O-N 3.09Å; M25-L46 HydrophobicContact CE-CD1 3.94Å; M25-L46 HydrophobicContact CE-CG 3.91Å; M25-L46 HydrophobicContact CG-CB 4.37Å; M25-L46 HydrophobicContact CG-CD1 4.11Å; M25-L46 HydrophobicContact CG-CG 4.43Å; M25-L46 HydrophobicContact SD-CB 4.11Å; M25-L46 HydrophobicContact SD-CD1 4.28Å; M25-L46 HydrophobicContact SD-CG 4.04Å; M25-I61 HydrophobicContact CB-CG2 4.5Å; M25-I61 HydrophobicContact CG-CB 4.34Å; M25-I61 HydrophobicContact CG-CG2 3.87Å; M25-I61 HydrophobicContact SD-CB 4.4Å; M25-I61 HydrophobicContact SD-CG2 4.1Å; M25-I61 VanDerWaalsContact SD-O 3.38Å; M25-D63 HydrophobicContact CE-CB 3.57Å; M25-D63 HydrophobicContact SD-CB 3.73Å |
| 26 | N | 96.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 178.5 | -82.7 | -62.2 | 0 | 0 | 0 | 113 | T22 Y28 N30 K31 K32 | T22-N26 WeakPolarHBondContact O-CB 3.34Å; T22-N26 PolarHBondContact O-N 3.43Å; T22-N26 PolarHBondContact O-ND2 3.45Å; N26-Y28 VanDerWaalsContact C-N 3.32Å; N26-N30 CarbonylContact O-C 3.49Å; N26-N30 WeakPolarHBondContact O-CA 3.5Å; N26-N30 WeakPolarHBondContact O-CB 3.44Å; N26-N30 PolarHBondContact O-N 3.34Å; N26-N30 PolarHBondContact OD1-ND2 3.4Å; N26-K31 PolarHBondContact O-N 2.9Å; N26-K32 CarbonylContact C-O 3.54Å |
| 27 | Q | 97.9 | Very high | 94 | Very high | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -38.1 | 177.5 | -177.1 | 66.3 | -50.2 | 0 | 0 | 111.1 | S23 L24 M25 K31 K32 A156 A159 V162 | S23-Q27 WeakPolarHBondContact O-CB 3.45Å; S23-Q27 PolarHBondContact O-N 3.45Å; L24-Q27 PolarHBondContact O-N 3.13Å; M25-Q27 PolarHBondContact O-N 3.39Å; Q27-K31 VanDerWaalsContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CD 3.46Å; Q27-K31 PolarHBondContact O-N 2.88Å; Q27-K32 PolarHBondContact N-O 3.27Å; Q27-K32 VanDerWaalsContact OE1-N 3.17Å; Q27-A156 VanDerWaalsContact CG-O 3.28Å; Q27-A156 WeakPolarHBondContact CG-O 3.38Å; Q27-A156 PolarHBondContact NE2-O 3.47Å; Q27-A159 HydrophobicContact CG-CB 4.32Å; Q27-V162 HydrophobicContact CG-CG1 4.36Å; Q27-V162 HydrophobicContact CG-CG2 4.24Å |
| 28 | Y | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 177.1 | 178.5 | -117.7 | 0 | 0 | 0 | 112.7 | L24 M25 N26 K48 M59 I61 V162 E163 F166 | L24-Y28 WeakPolarHBondContact O-CB 3.35Å; L24-Y28 PolarHBondContact O-N 2.93Å; M25-Y28 PolarHBondContact O-N 3.45Å; N26-Y28 VanDerWaalsContact C-N 3.32Å; Y28-K48 HydrophobicContact CD1-CD 3.81Å; Y28-K48 HydrophobicContact CE1-CB 4.42Å; Y28-K48 HydrophobicContact CE1-CD 3.36Å; Y28-K48 HydrophobicContact CE1-CG 4.48Å; Y28-K48 HydrophobicContact CE2-CD 4.16Å; Y28-K48 HydrophobicContact CG-CD 4.4Å; Y28-K48 WeakPolarHBondContact O-CE 3.46Å; Y28-K48 PolarHBondContact O-NZ 3.05Å; Y28-M59 HydrophobicContact CE1-SD 4.09Å; Y28-I61 HydrophobicContact CD1-CD1 3.57Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; Y28-V162 HydrophobicContact CD2-CG1 4.49Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.28Å; Y28-F166 HydrophobicContact CD1-CB 4.02Å; Y28-F166 AromaticContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD1 3.45Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD2 4.11Å; Y28-F166 AromaticContact CD1-CE1 3.86Å; Y28-F166 HydrophobicContact CD1-CE1 3.86Å; Y28-F166 HydrophobicContact CD1-CE2 4.46Å; Y28-F166 AromaticContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.52Å; Y28-F166 HydrophobicContact CD2-CD1 4.4Å; Y28-F166 AromaticContact CD2-CD2 3.87Å; Y28-F166 HydrophobicContact CD2-CD2 3.87Å; Y28-F166 AromaticContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CE1-CB 3.78Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.36Å; Y28-F166 AromaticContact CE1-CG 3.79Å; Y28-F166 HydrophobicContact CE1-CG 3.79Å; Y28-F166 HydrophobicContact CE2-CB 3.26Å; Y28-F166 HydrophobicContact CE2-CD2 4.5Å; Y28-F166 AromaticContact CE2-CG 3.9Å; Y28-F166 HydrophobicContact CE2-CG 3.9Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.88Å; Y28-F166 HydrophobicContact CG-CD1 3.88Å; Y28-F166 AromaticContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CE1 4.31Å; Y28-F166 HydrophobicContact CG-CE2 4.09Å; 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 3.94Å |
| 29 | V | 96.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.8 | -50.8 | -174 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | M25 L46 K48 I61 | M25-V29 WeakPolarHBondContact O-CB 3.38Å; M25-V29 WeakPolarHBondContact O-CG2 3.46Å; M25-V29 PolarHBondContact O-N 3.09Å; V29-L46 HydrophobicContact CB-CB 4.46Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.21Å; V29-L46 HydrophobicContact CG1-CD1 4.13Å; V29-L46 HydrophobicContact CG2-CB 4.02Å; V29-L46 HydrophobicContact CG2-CD1 4.25Å; V29-K48 HydrophobicContact CG1-CB 4.5Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; V29-I61 HydrophobicContact CG2-CD1 3.93Å |
| 30 | N | 95.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -102.5 | -6.1 | -169.1 | -64.7 | -38.4 | 0 | 0 | 0 | 113.6 | N26 K32 | N26-N30 CarbonylContact O-C 3.49Å; N26-N30 WeakPolarHBondContact O-CA 3.5Å; N26-N30 WeakPolarHBondContact O-CB 3.44Å; N26-N30 PolarHBondContact O-N 3.34Å; N26-N30 PolarHBondContact OD1-ND2 3.4Å; N30-K32 HydrophobicContact CB-CB 4.21Å; N30-K32 HydrophobicContact CB-CD 4.31Å; N30-K32 HydrophobicContact CB-CG 4.38Å; N30-K32 WeakPolarHBondContact O-CG 3.35Å; N30-K32 PolarHBondContact O-N 3.46Å |
| 31 | K | 96.1 | Very high | 90.9 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 54% | 0.543 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 52.4 | 37.8 | -172.7 | -55.5 | -68.4 | 168.1 | -173.5 | 0 | 111.8 | N26 Q27 E163 | N26-K31 PolarHBondContact O-N 2.9Å; Q27-K31 VanDerWaalsContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CD 3.46Å; Q27-K31 PolarHBondContact O-N 2.88Å; K31-E163 IonicContact NZ-OE2 3.92Å; K31-E163 PolarHBondContact NZ-OE2 3.28Å |
| 32 | K | 93.4 | Very high | 90 | Very high | 150 Ų | 150 | 70 Ų | 70 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | trans | -127.1 | 137.9 | -177.1 | -76 | 176.2 | -174.1 | 178.6 | 0 | 110.7 | N26 Q27 N30 | N26-K32 CarbonylContact C-O 3.54Å; Q27-K32 PolarHBondContact N-O 3.27Å; Q27-K32 VanDerWaalsContact OE1-N 3.17Å; N30-K32 HydrophobicContact CB-CB 4.21Å; N30-K32 HydrophobicContact CB-CD 4.31Å; N30-K32 HydrophobicContact CB-CG 4.38Å; N30-K32 WeakPolarHBondContact O-CG 3.35Å; N30-K32 PolarHBondContact O-N 3.46Å | ||
| 33 | F | 94.3 | Very high | 89.3 | Confident | 76 Ų | 76 | 69 Ų | 69 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | trans | -125.1 | 143.9 | 170 | 178.9 | -98.6 | 0 | 0 | 0 | 109.8 | N35 A156 K157 | F33-N35 VanDerWaalsContact CE1-OD1 3.29Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.24Å; F33-A156 HydrophobicContact CD2-CB 4.28Å; F33-A156 HydrophobicContact CE2-CB 4.4Å; F33-K157 HydrophobicContact CD1-CB 4.26Å; F33-K157 HydrophobicContact CD1-CG 4.02Å; F33-K157 HydrophobicContact CD2-CB 4.3Å; F33-K157 HydrophobicContact CE1-CB 3.92Å; F33-K157 HydrophobicContact CE1-CD 4.35Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.98Å; F33-K157 HydrophobicContact CG-CB 4.43Å; F33-K157 HydrophobicContact CZ-CB 3.78Å; F33-K157 HydrophobicContact CZ-CG 4.02Å | ||
| 34 | S | 90.8 | Very high | 88.8 | Confident | 68 Ų | 68 | 72 Ų | 72 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | trans | -129.5 | 133.2 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | Q36 | S34-Q36 PolarHBondContact O-N 3.02Å; S34-Q36 PolarHBondContact OG-N 3.44Å | ||
| 35 | N | 85.4 | Confident | 88.4 | Confident | 140 Ų | 140 | 75.9 Ų | 75.9 | 75% | 0.749 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -73 | -16.5 | 172.7 | -71.2 | -49.6 | 0 | 0 | 0 | 112.7 | F33 Y37 | F33-N35 VanDerWaalsContact CE1-OD1 3.29Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.24Å; N35-Y37 PolarHBondContact O-N 3.36Å |
| 36 | Q | 84.3 | Confident | 88.3 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -77.3 | 112.4 | 178.9 | -67.5 | -178.6 | -1.6 | 0 | 0 | 109.8 | S34 K38 | S34-Q36 PolarHBondContact O-N 3.02Å; S34-Q36 PolarHBondContact OG-N 3.44Å; Q36-K38 PolarHBondContact O-N 2.89Å |
| 37 | Y | 79.1 | Confident | 88.3 | Confident | 142 Ų | 142 | 79.2 Ų | 79.2 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | trans | -68.6 | 123.8 | 170.4 | 179.1 | -106.8 | 0 | 0 | 0 | 110.3 | S17 N35 A39 | S17-Y37 PolarHBondContact OG-OH 3.02Å; N35-Y37 PolarHBondContact O-N 3.36Å; Y37-A39 HydrophobicContact CE1-CB 4.14Å | ||
| 38 | K | 80.9 | Confident | 88.2 | Confident | 161 Ų | 161 | 80.1 Ų | 80.1 | 70% | 0.7 | 41% | 0.405 | S | S | * | . | trans | -123.4 | 124.2 | 167.3 | -68.1 | -174.5 | 177.5 | -177.7 | 0 | 107.5 | Q36 T40 | Q36-K38 PolarHBondContact O-N 2.89Å; K38-T40 PolarHBondContact O-N 3.23Å | ||
| 39 | A | 80.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 85.8 Ų | 85.8 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | trans | -68.2 | 128.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y37 | Y37-A39 HydrophobicContact CE1-CB 4.14Š| ||
| 40 | T | 77.7 | Confident | 88.1 | Confident | 27 Ų | 27 | 85 Ų | 85 | 17% | 0.166 | 43% | 0.427 | C | S | . | . | trans | -68.2 | 130.5 | 170.2 | -49.5 | 0 | 0 | 0 | 0 | 109.1 | T22 K38 D63 A65 | T22-T40 PolarHBondContact OG1-OG1 3.36Å; K38-T40 PolarHBondContact O-N 3.23Å; T40-D63 PolarHBondContact OG1-OD2 2.99Å; T40-D63 VanDerWaalsContact OG1-OD2 3.07Å; T40-A65 WeakPolarHBondContact O-CB 3.41Å | ||
| 41 | I | 76.9 | Confident | 88 | Confident | 128 Ų | 128 | 86.6 Ų | 86.6 | 66% | 0.656 | 43% | 0.433 | S | S | * | . | trans | -105 | 120.2 | 175.3 | -59.5 | 175.8 | 0 | 0 | 0 | 107.4 | A43 | I41-A43 PolarHBondContact O-N 3.49Š| ||
| 42 | G | 77.4 | Confident | 87.9 | Confident | 9 Ų | 9 | 81 Ų | 81 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 69.3 | -123.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A65 | G42-A65 WeakPolarHBondContact O-CB 3.28Å; G42-A65 PolarHBondContact O-N 2.87Å |
| 43 | A | 81.3 | Confident | 87.7 | Confident | 27 Ų | 27 | 79 Ų | 79 | 22% | 0.223 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I41 W62 D63 F77 | I41-A43 PolarHBondContact O-N 3.49Å; A43-W62 HydrophobicContact CB-CE3 4.24Å; A43-D63 VanDerWaalsContact CA-O 3.31Å; A43-D63 WeakPolarHBondContact CA-O 3.46Å; A43-F77 HydrophobicContact CB-CD2 3.69Å; A43-F77 HydrophobicContact CB-CE2 3.97Å; A43-F77 HydrophobicContact CB-CG 4.44Å |
| 44 | D | 85.6 | Confident | 87.4 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.7 | 172.8 | -165.6 | 8.1 | 0 | 0 | 0 | 108.6 | W62 D63 | D44-W62 CarbonylContact O-C 3.36Å; D44-W62 WeakPolarHBondContact O-CA 3.26Å; D44-D63 PolarHBondContact N-O 2.83Å; D44-D63 PolarHBondContact O-N 3.46Å |
| 45 | F | 90.2 | Very high | 87.5 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.2 | 176.9 | 73.2 | -93 | 0 | 0 | 0 | 112.9 | T47 Q60 I61 W62 | F45-T47 HydrophobicContact CD2-CG2 4.26Å; F45-T47 HydrophobicContact CE2-CG2 4.19Å; F45-Q60 HydrophobicContact CB-CG 4.18Å; F45-Q60 HydrophobicContact CD2-CG 3.48Å; F45-Q60 VanDerWaalsContact CD2-CG 3.48Å; F45-Q60 HydrophobicContact CE2-CG 4.06Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.28Å; F45-Q60 HydrophobicContact CG-CG 3.92Å; F45-I61 CarbonylContact C-O 3.59Å; F45-I61 WeakPolarHBondContact CA-O 3.48Å; F45-I61 WeakPolarHBondContact CB-O 3.3Å; 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 4.35Å; F45-W62 HydrophobicContact CD1-CE3 4.23Å; F45-W62 AromaticContact CD1-CH2 3.72Å; F45-W62 HydrophobicContact CD1-CH2 3.72Å; F45-W62 AromaticContact CD1-CZ2 3.84Å; F45-W62 HydrophobicContact CD1-CZ2 3.84Å; F45-W62 AromaticContact CD1-CZ3 3.92Å; F45-W62 HydrophobicContact CD1-CZ3 3.92Å; F45-W62 HydrophobicContact CE1-CH2 4.16Å; F45-W62 HydrophobicContact CE1-CZ2 4.33Å; F45-W62 HydrophobicContact CG-CD2 4.39Å; F45-W62 HydrophobicContact CG-CZ2 4.31Å |
| 46 | L | 95 | Very high | 87.9 | Confident | 43 Ų | 43 | 81.5 Ų | 81.5 | 23% | 0.225 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.5 | 168.1 | -67 | -177.5 | 0 | 0 | 0 | 110.2 | M25 V29 I61 | M25-L46 HydrophobicContact CE-CD1 3.94Å; M25-L46 HydrophobicContact CE-CG 3.91Å; M25-L46 HydrophobicContact CG-CB 4.37Å; M25-L46 HydrophobicContact CG-CD1 4.11Å; M25-L46 HydrophobicContact CG-CG 4.43Å; M25-L46 HydrophobicContact SD-CB 4.11Å; M25-L46 HydrophobicContact SD-CD1 4.28Å; M25-L46 HydrophobicContact SD-CG 4.04Å; V29-L46 HydrophobicContact CB-CB 4.46Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.21Å; V29-L46 HydrophobicContact CG1-CD1 4.13Å; V29-L46 HydrophobicContact CG2-CB 4.02Å; V29-L46 HydrophobicContact CG2-CD1 4.25Å; L46-I61 PolarHBondContact N-O 2.68Å; L46-I61 PolarHBondContact O-N 3.31Å |
| 47 | T | 96.6 | Very high | 88.4 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.3 | 173.3 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | F45 M59 Q60 | F45-T47 HydrophobicContact CD2-CG2 4.26Å; F45-T47 HydrophobicContact CE2-CG2 4.19Å; T47-M59 CarbonylContact C-O 3.55Å; T47-M59 WeakPolarHBondContact CA-O 3.32Å; T47-Q60 HydrophobicContact CG2-CB 4.5Å; T47-Q60 HydrophobicContact CG2-CG 4.34Å |
| 48 | K | 96.4 | Very high | 89.3 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 130.2 | 171.9 | -165 | -171.8 | 179.8 | -177.4 | 0 | 109.7 | Y28 V29 M59 E163 | Y28-K48 HydrophobicContact CD1-CD 3.81Å; Y28-K48 HydrophobicContact CE1-CB 4.42Å; Y28-K48 HydrophobicContact CE1-CD 3.36Å; Y28-K48 HydrophobicContact CE1-CG 4.48Å; Y28-K48 HydrophobicContact CE2-CD 4.16Å; Y28-K48 HydrophobicContact CG-CD 4.4Å; Y28-K48 WeakPolarHBondContact O-CE 3.46Å; Y28-K48 PolarHBondContact O-NZ 3.05Å; V29-K48 HydrophobicContact CG1-CB 4.5Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; K48-M59 PolarHBondContact N-O 2.98Å; K48-M59 PolarHBondContact O-N 3.15Å; K48-E163 IonicContact NZ-OE1 3.48Å; K48-E163 PolarHBondContact NZ-OE1 3.26Å; K48-E163 IonicContact NZ-OE2 3.46Å |
| 49 | E | 96.7 | Very high | 90.1 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.2 | 167.7 | -66.4 | -170.5 | 160.3 | 0 | 0 | 109.6 | L56 V57 | E49-L56 HydrophobicContact CB-CD1 4.19Å; E49-V57 WeakPolarHBondContact CA-O 3.46Å |
| 50 | V | 95.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.6 | -179.5 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | V52 V57 M59 A170 | V50-V52 HydrophobicContact CG1-CG2 4.01Å; V50-V52 HydrophobicContact CG2-CG2 4.3Å; V50-V57 HydrophobicContact CG1-CG2 3.43Å; V50-V57 VanDerWaalsContact CG1-CG2 3.43Å; V50-V57 PolarHBondContact N-O 2.98Å; V50-V57 PolarHBondContact O-N 3.06Å; V50-M59 HydrophobicContact CB-SD 4.48Å; V50-M59 HydrophobicContact CG1-CG 3.66Å; V50-M59 HydrophobicContact CG1-SD 3.67Å; V50-A170 HydrophobicContact CG1-CB 4.14Å |
| 51 | M | 94.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 60 Ų | 60 | 52% | 0.522 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.6 | 170.8 | -72.4 | -64.1 | -64.4 | 0 | 0 | 108.8 | L56 | M51-L56 HydrophobicContact CG-CD1 4.23Å; M51-L56 HydrophobicContact SD-CB 3.68Å; M51-L56 HydrophobicContact SD-CD1 3.67Å; M51-L56 HydrophobicContact SD-CG 4.28Å |
| 52 | V | 93.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113.7 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | V50 D54 R55 V57 A170 R171 L174 | V50-V52 HydrophobicContact CG1-CG2 4.01Å; V50-V52 HydrophobicContact CG2-CG2 4.3Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.12Å; V52-R55 PolarHBondContact N-O 3.47Å; V52-R55 WeakPolarHBondContact O-CA 2.95Å; V52-R55 WeakPolarHBondContact O-CB 3.26Å; V52-R55 PolarHBondContact O-N 3.06Å; V52-V57 HydrophobicContact CG2-CG2 3.84Å; V52-A170 HydrophobicContact CG2-CB 3.56Å; V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.29Å; V52-L174 HydrophobicContact CB-CD2 4.15Å; V52-L174 HydrophobicContact CG1-CD2 3.88Å |
| 53 | D | 88.9 | Confident | 93.3 | Very high | 109 Ų | 109 | 54.8 Ų | 54.8 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 51.4 | 177.6 | -50.3 | -29.7 | 0 | 0 | 0 | 112 | R55 R171 | D53-R55 PolarHBondContact O-N 3.4Å; D53-R171 IonicContact OD1-NE 3.47Å; D53-R171 PolarHBondContact OD1-NE 3.29Å; D53-R171 IonicContact OD1-NH2 3.59Å; D53-R171 IonicContact OD2-NE 3.36Å; D53-R171 PolarHBondContact OD2-NE 3.34Å |
| 54 | D | 88.4 | Confident | 93.5 | Very high | 147 Ų | 147 | 53.6 Ų | 53.6 | 79% | 0.786 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 9.6 | -177.2 | -58.1 | -43.6 | 0 | 0 | 0 | 116.8 | V52 | V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.12Å |
| 55 | R | 91.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.6 | 171.6 | -162.6 | 174.8 | -174.2 | -178 | -0.3 | 110.3 | V52 D53 V57 L174 | V52-R55 PolarHBondContact N-O 3.47Å; V52-R55 WeakPolarHBondContact O-CA 2.95Å; V52-R55 WeakPolarHBondContact O-CB 3.26Å; V52-R55 PolarHBondContact O-N 3.06Å; D53-R55 PolarHBondContact O-N 3.4Å; R55-V57 HydrophobicContact CB-CG1 4.41Å; R55-V57 HydrophobicContact CG-CG1 4.07Å; R55-V57 PolarHBondContact O-N 3.4Å; R55-L174 HydrophobicContact CB-CD2 4.48Å |
| 56 | L | 94 | Very high | 92.4 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.1 | 169.7 | -172.8 | 67.1 | 0 | 0 | 0 | 109 | E49 M51 | E49-L56 HydrophobicContact CB-CD1 4.19Å; M51-L56 HydrophobicContact CG-CD1 4.23Å; M51-L56 HydrophobicContact SD-CB 3.68Å; M51-L56 HydrophobicContact SD-CD1 3.67Å; M51-L56 HydrophobicContact SD-CG 4.28Å |
| 57 | V | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.3 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | V7 L9 E49 V50 V52 R55 L174 | V7-V57 HydrophobicContact CB-CB 4.33Å; V7-V57 HydrophobicContact CB-CG1 4Å; V7-V57 HydrophobicContact CG1-CG1 4.31Å; L9-V57 HydrophobicContact CD1-CB 4.1Å; L9-V57 HydrophobicContact CD1-CG2 3.74Å; L9-V57 HydrophobicContact CG-CB 4.39Å; L9-V57 HydrophobicContact CG-CG2 4.47Å; E49-V57 WeakPolarHBondContact CA-O 3.46Å; V50-V57 HydrophobicContact CG1-CG2 3.43Å; V50-V57 VanDerWaalsContact CG1-CG2 3.43Å; V50-V57 PolarHBondContact N-O 2.98Å; V50-V57 PolarHBondContact O-N 3.06Å; V52-V57 HydrophobicContact CG2-CG2 3.84Å; R55-V57 HydrophobicContact CB-CG1 4.41Å; R55-V57 HydrophobicContact CG-CG1 4.07Å; R55-V57 PolarHBondContact O-N 3.4Å; V57-L174 HydrophobicContact CG1-CD1 4.02Å; V57-L174 HydrophobicContact CG1-CD2 4.24Å |
| 58 | T | 97.3 | Very high | 89.8 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 112.9 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | V7 L8 L9 | V7-T58 PolarHBondContact O-N 3.45Å; L8-T58 CarbonylContact C-O 3.58Å; L8-T58 WeakPolarHBondContact CA-O 3.25Å; L9-T58 PolarHBondContact N-O 3.1Å |
| 59 | M | 97.9 | Very high | 88 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.6 | 171.6 | -63.5 | 178.9 | 80.6 | 0 | 0 | 109.7 | L9 V11 Y28 T47 K48 V50 I61 F166 I169 A170 | L9-M59 CarbonylContact O-C 3.57Å; L9-M59 WeakPolarHBondContact O-CA 3.37Å; V11-M59 HydrophobicContact CG2-CE 3.78Å; Y28-M59 HydrophobicContact CE1-SD 4.09Å; T47-M59 CarbonylContact C-O 3.55Å; T47-M59 WeakPolarHBondContact CA-O 3.32Å; K48-M59 PolarHBondContact N-O 2.98Å; K48-M59 PolarHBondContact O-N 3.15Å; V50-M59 HydrophobicContact CB-SD 4.48Å; V50-M59 HydrophobicContact CG1-CG 3.66Å; V50-M59 HydrophobicContact CG1-SD 3.67Å; M59-I61 HydrophobicContact CB-CD1 4.41Å; M59-I61 HydrophobicContact CB-CG1 4.07Å; M59-F166 HydrophobicContact CE-CD1 4.21Å; M59-I169 HydrophobicContact CE-CG2 3.92Å; M59-A170 HydrophobicContact CE-CB 3.86Å; M59-A170 HydrophobicContact CG-CB 4.37Å; M59-A170 HydrophobicContact SD-CB 3.61Å |
| 60 | Q | 97.3 | Very high | 86.5 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 105.5 | 164.9 | -169 | -175.3 | 47.6 | 0 | 0 | 108.2 | L8 L9 V11 F45 T47 | L8-Q60 HydrophobicContact CD2-CB 4.17Å; L9-Q60 PolarHBondContact O-N 3.1Å; V11-Q60 PolarHBondContact N-O 3.36Å; F45-Q60 HydrophobicContact CB-CG 4.18Å; F45-Q60 HydrophobicContact CD2-CG 3.48Å; F45-Q60 VanDerWaalsContact CD2-CG 3.48Å; F45-Q60 HydrophobicContact CE2-CG 4.06Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.28Å; F45-Q60 HydrophobicContact CG-CG 3.92Å; T47-Q60 HydrophobicContact CG2-CB 4.5Å; T47-Q60 HydrophobicContact CG2-CG 4.34Å |
| 61 | I | 97.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.2 | -172.3 | -54.5 | 166.3 | 0 | 0 | 0 | 108.1 | I13 M25 Y28 V29 F45 L46 M59 F166 | I13-I61 HydrophobicContact CD1-CG2 3.5Å; I13-I61 VanDerWaalsContact CD1-CG2 3.5Å; I13-I61 HydrophobicContact CG1-CG2 3.96Å; M25-I61 HydrophobicContact CB-CG2 4.5Å; M25-I61 HydrophobicContact CG-CB 4.34Å; M25-I61 HydrophobicContact CG-CG2 3.87Å; M25-I61 HydrophobicContact SD-CB 4.4Å; M25-I61 HydrophobicContact SD-CG2 4.1Å; M25-I61 VanDerWaalsContact SD-O 3.38Å; Y28-I61 HydrophobicContact CD1-CD1 3.57Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; V29-I61 HydrophobicContact CG2-CD1 3.93Å; F45-I61 CarbonylContact C-O 3.59Å; F45-I61 WeakPolarHBondContact CA-O 3.48Å; F45-I61 WeakPolarHBondContact CB-O 3.3Å; L46-I61 PolarHBondContact N-O 2.68Å; L46-I61 PolarHBondContact O-N 3.31Å; M59-I61 HydrophobicContact CB-CD1 4.41Å; M59-I61 HydrophobicContact CB-CG1 4.07Å; I61-F166 HydrophobicContact CD1-CD1 4.12Å; I61-F166 HydrophobicContact CD1-CE1 3.82Å; I61-F166 HydrophobicContact CG1-CE1 4.4Å; I61-F166 HydrophobicContact CG2-CE1 4.07Å |
| 62 | W | 94.3 | Very high | 83.5 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 10% | 0.095 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.8 | -179.3 | -66.2 | 75.4 | 0 | 0 | 0 | 110.4 | V11 I12 I13 A43 D44 F45 F77 | V11-W62 PolarHBondContact O-N 3.47Å; I12-W62 HydrophobicContact CD1-CB 3.59Å; I12-W62 HydrophobicContact CD1-CD2 4.48Å; I12-W62 HydrophobicContact CD1-CG 3.66Å; I13-W62 PolarHBondContact N-O 2.9Å; A43-W62 HydrophobicContact CB-CE3 4.24Å; D44-W62 CarbonylContact O-C 3.36Å; D44-W62 WeakPolarHBondContact O-CA 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 4.35Å; F45-W62 HydrophobicContact CD1-CE3 4.23Å; F45-W62 AromaticContact CD1-CH2 3.72Å; F45-W62 HydrophobicContact CD1-CH2 3.72Å; F45-W62 AromaticContact CD1-CZ2 3.84Å; F45-W62 HydrophobicContact CD1-CZ2 3.84Å; F45-W62 AromaticContact CD1-CZ3 3.92Å; F45-W62 HydrophobicContact CD1-CZ3 3.92Å; F45-W62 HydrophobicContact CE1-CH2 4.16Å; F45-W62 HydrophobicContact CE1-CZ2 4.33Å; F45-W62 HydrophobicContact CG-CD2 4.39Å; F45-W62 HydrophobicContact CG-CZ2 4.31Å; W62-F77 HydrophobicContact CD2-CB 4.44Å; W62-F77 HydrophobicContact CE3-CB 3.87Å; W62-F77 HydrophobicContact CE3-CD1 4.06Å; W62-F77 AromaticContact CE3-CG 3.92Å; W62-F77 HydrophobicContact CE3-CG 3.92Å; W62-F77 HydrophobicContact CH2-CB 4.47Å; W62-F77 AromaticContact CH2-CD1 3.44Å; W62-F77 HydrophobicContact CH2-CD1 3.44Å; W62-F77 VanDerWaalsContact CH2-CD1 3.44Å; W62-F77 AromaticContact CH2-CE1 3.93Å; W62-F77 HydrophobicContact CH2-CE1 3.93Å; W62-F77 HydrophobicContact CH2-CG 4.15Å; W62-F77 HydrophobicContact CZ2-CD1 4.46Å; W62-F77 HydrophobicContact CZ3-CB 3.89Å; W62-F77 AromaticContact CZ3-CD1 3.19Å; W62-F77 HydrophobicContact CZ3-CD1 3.19Å; W62-F77 HydrophobicContact CZ3-CD2 4.23Å; W62-F77 AromaticContact CZ3-CE1 3.69Å; W62-F77 HydrophobicContact CZ3-CE1 3.69Å; W62-F77 AromaticContact CZ3-CG 3.5Å; W62-F77 HydrophobicContact CZ3-CG 3.5Å; W62-F77 HydrophobicContact CZ3-CZ 4.39Å |
| 63 | D | 90.4 | Very high | 82.1 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.011 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128 | 168.6 | -178.2 | 44 | 0 | 0 | 0 | 109.3 | K21 T22 M25 T40 A43 D44 | K21-D63 WeakPolarHBondContact CB-OD1 3.41Å; T22-D63 WeakPolarHBondContact CA-OD2 3.49Å; T22-D63 VanDerWaalsContact CB-OD2 3.26Å; T22-D63 WeakPolarHBondContact CB-OD2 3Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.43Å; T22-D63 PolarHBondContact N-OD1 2.98Å; T22-D63 PolarHBondContact OG1-OD2 3.4Å; M25-D63 HydrophobicContact CE-CB 3.57Å; M25-D63 HydrophobicContact SD-CB 3.73Å; T40-D63 PolarHBondContact OG1-OD2 2.99Å; T40-D63 VanDerWaalsContact OG1-OD2 3.07Å; A43-D63 VanDerWaalsContact CA-O 3.31Å; A43-D63 WeakPolarHBondContact CA-O 3.46Å; D44-D63 PolarHBondContact N-O 2.83Å; D44-D63 PolarHBondContact O-N 3.46Å |
| 64 | T | 85.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152 | -178.8 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | I12 I13 L14 K21 G66 Y78 | I12-T64 HydrophobicContact CG2-CG2 4.08Å; I13-T64 PolarHBondContact O-OG1 2.97Å; L14-T64 HydrophobicContact CD2-CG2 3.83Å; L14-T64 VanDerWaalsContact CD2-OG1 3.31Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.48Å; K21-T64 WeakPolarHBondContact CE-O 3.27Å; T64-G66 PolarHBondContact O-N 2.9Å; T64-Y78 HydrophobicContact CG2-CE1 4.21Å |
| 65 | A | 81.1 | Confident | 79.9 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | trans | -62.6 | 124.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T40 G42 Q67 F70 | T40-A65 WeakPolarHBondContact O-CB 3.41Å; G42-A65 WeakPolarHBondContact O-CB 3.28Å; G42-A65 PolarHBondContact O-N 2.87Å; A65-Q67 VanDerWaalsContact C-N 3.32Å; A65-F70 HydrophobicContact CB-CB 3.62Å | ||
| 66 | G | 71.9 | Confident | 79 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -87.8 | 4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G15 S17 T64 | G15-G66 WeakPolarHBondContact O-CA 3.41Å; S17-G66 PolarHBondContact N-O 2.85Å; T64-G66 PolarHBondContact O-N 2.9Å | ||
| 67 | Q | 71 | Confident | 78.4 | Confident | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -89.9 | 132.4 | 174.9 | -73 | -170.5 | 31.9 | 0 | 0 | 109.6 | A65 R69 F70 Q71 | A65-Q67 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.07Å; Q67-R69 VanDerWaalsContact O-N 3.09Å; Q67-F70 HydrophobicContact CB-CD2 4.1Å; Q67-F70 PolarHBondContact O-N 3.12Å; Q67-Q71 PolarHBondContact O-N 3.47Å; Q67-Q71 VanDerWaalsContact O-N 3.12Å |
| 68 | E | 65.1 | Low | 78.2 | Confident | 137 Ų | 137 | 45.1 Ų | 45.1 | 64% | 0.64 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -55.1 | -33.6 | -178.9 | 62.6 | -77 | 166 | 0 | 0 | 113.4 | F70 Q71 | E68-F70 PolarHBondContact O-N 3.27Å; E68-Q71 PolarHBondContact O-N 3.37Å |
| 69 | R | 60.2 | Low | 77.9 | Confident | 180 Ų | 180 | 51.2 Ų | 51.2 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.8 | -18.5 | 178.4 | -63.7 | -175.1 | -64.7 | -178 | -0.1 | 114.3 | Q67 | Q67-R69 PolarHBondContact O-N 3.07Å; Q67-R69 VanDerWaalsContact O-N 3.09Å |
| 70 | F | 63.9 | Low | 77.6 | Confident | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -118.8 | -4.1 | -179.3 | -57.9 | -56.1 | 0 | 0 | 0 | 113.4 | A65 Q67 E68 S72 L73 | A65-F70 HydrophobicContact CB-CB 3.62Å; Q67-F70 HydrophobicContact CB-CD2 4.1Å; Q67-F70 PolarHBondContact O-N 3.12Å; E68-F70 PolarHBondContact O-N 3.27Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 2.83Å; F70-L73 HydrophobicContact CD1-CD1 4.24Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 PolarHBondContact O-N 3.2Å |
| 71 | Q | 63 | Low | 77.5 | Confident | 49 Ų | 49 | 53 Ų | 53 | 23% | 0.229 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 179.8 | -87 | 171.1 | -15 | 0 | 0 | 112.3 | Q67 E68 L73 G74 W102 | Q67-Q71 PolarHBondContact O-N 3.47Å; Q67-Q71 VanDerWaalsContact O-N 3.12Å; E68-Q71 PolarHBondContact O-N 3.37Å; Q71-L73 PolarHBondContact O-N 3.49Å; Q71-L73 VanDerWaalsContact O-N 3.13Å; Q71-G74 PolarHBondContact O-N 3.16Å; Q71-W102 HydrophobicContact CG-CH2 3.65Å; Q71-W102 HydrophobicContact CG-CZ3 4.1Å |
| 72 | S | 65 | Low | 77.5 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.8 | -25.3 | -178.6 | 58 | 0 | 0 | 0 | 0 | 114 | F70 G74 | F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 2.83Å; S72-G74 VanDerWaalsContact C-N 3.34Å |
| 73 | L | 63.5 | Low | 77.7 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.8 | -26.4 | 176.6 | -63.7 | 171.4 | 0 | 0 | 0 | 112.3 | F70 Q71 F77 | F70-L73 HydrophobicContact CD1-CD1 4.24Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 PolarHBondContact O-N 3.2Å; Q71-L73 PolarHBondContact O-N 3.49Å; Q71-L73 VanDerWaalsContact O-N 3.13Å; L73-F77 VanDerWaalsContact O-CE2 3.31Å; L73-F77 WeakPolarHBondContact O-CE2 3.44Å |
| 74 | G | 64.2 | Low | 78.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78.4 | -25.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q71 S72 A76 F77 Y78 | Q71-G74 PolarHBondContact O-N 3.16Å; S72-G74 VanDerWaalsContact C-N 3.34Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.44Å; G74-F77 WeakPolarHBondContact O-CB 3.39Å; G74-F77 WeakPolarHBondContact O-CD2 3.48Å; G74-F77 PolarHBondContact O-N 3.01Å; G74-Y78 WeakPolarHBondContact O-CD1 3.33Å; G74-Y78 WeakPolarHBondContact O-CE1 3.5Å |
| 75 | V | 68.3 | Low | 78.7 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -59.3 | -37.1 | -170.2 | 169.9 | 0 | 0 | 0 | 0 | 113.5 | F77 Y78 Q109 | V75-F77 PolarHBondContact O-N 3.47Å; V75-F77 VanDerWaalsContact O-N 3.09Å; V75-Y78 PolarHBondContact O-N 3.01Å; V75-Q109 HydrophobicContact CG1-CB 3.88Å; V75-Q109 HydrophobicContact CG1-CG 3.61Å; V75-Q109 HydrophobicContact CG2-CG 4.27Å |
| 76 | A | 72.5 | Confident | 79.5 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -60.8 | -21.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G74 | G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.44Å |
| 77 | F | 81.7 | Confident | 80.8 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -92.6 | -4.3 | -175.4 | -54.5 | -70.4 | 0 | 0 | 0 | 113.7 | K10 A43 W62 L73 G74 V75 | K10-F77 WeakPolarHBondContact CE-O 3.43Å; K10-F77 PolarHBondContact NZ-O 3.22Å; A43-F77 HydrophobicContact CB-CD2 3.69Å; A43-F77 HydrophobicContact CB-CE2 3.97Å; A43-F77 HydrophobicContact CB-CG 4.44Å; W62-F77 HydrophobicContact CD2-CB 4.44Å; W62-F77 HydrophobicContact CE3-CB 3.87Å; W62-F77 HydrophobicContact CE3-CD1 4.06Å; W62-F77 AromaticContact CE3-CG 3.92Å; W62-F77 HydrophobicContact CE3-CG 3.92Å; W62-F77 HydrophobicContact CH2-CB 4.47Å; W62-F77 AromaticContact CH2-CD1 3.44Å; W62-F77 HydrophobicContact CH2-CD1 3.44Å; W62-F77 VanDerWaalsContact CH2-CD1 3.44Å; W62-F77 AromaticContact CH2-CE1 3.93Å; W62-F77 HydrophobicContact CH2-CE1 3.93Å; W62-F77 HydrophobicContact CH2-CG 4.15Å; W62-F77 HydrophobicContact CZ2-CD1 4.46Å; W62-F77 HydrophobicContact CZ3-CB 3.89Å; W62-F77 AromaticContact CZ3-CD1 3.19Å; W62-F77 HydrophobicContact CZ3-CD1 3.19Å; W62-F77 HydrophobicContact CZ3-CD2 4.23Å; W62-F77 AromaticContact CZ3-CE1 3.69Å; W62-F77 HydrophobicContact CZ3-CE1 3.69Å; W62-F77 AromaticContact CZ3-CG 3.5Å; W62-F77 HydrophobicContact CZ3-CG 3.5Å; W62-F77 HydrophobicContact CZ3-CZ 4.39Å; L73-F77 VanDerWaalsContact O-CE2 3.31Å; L73-F77 WeakPolarHBondContact O-CE2 3.44Å; G74-F77 WeakPolarHBondContact O-CB 3.39Å; G74-F77 WeakPolarHBondContact O-CD2 3.48Å; G74-F77 PolarHBondContact O-N 3.01Å; V75-F77 PolarHBondContact O-N 3.47Å; V75-F77 VanDerWaalsContact O-N 3.09Å |
| 78 | Y | 90 | Very high | 82.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | -78.6 | -28.3 | -176.5 | -63.6 | 2.2 | 0 | 0 | 0 | 113.4 | I12 L14 T64 G74 V75 G80 A81 E105 F106 Q109 | I12-Y78 HydrophobicContact CG2-CD1 3.98Å; I12-Y78 HydrophobicContact CG2-CE1 4.04Å; L14-Y78 HydrophobicContact CD1-CE2 4.26Å; L14-Y78 HydrophobicContact CD2-CE1 3.87Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.25Å; T64-Y78 HydrophobicContact CG2-CE1 4.21Å; G74-Y78 WeakPolarHBondContact O-CD1 3.33Å; G74-Y78 WeakPolarHBondContact O-CE1 3.5Å; V75-Y78 PolarHBondContact O-N 3.01Å; Y78-G80 PolarHBondContact O-N 2.98Å; Y78-A81 WeakPolarHBondContact O-CB 3.33Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-A81 VanDerWaalsContact O-N 3.17Å; Y78-E105 HydrophobicContact CE2-CG 4.48Å; Y78-E105 PolarHBondContact OH-OE1 3.17Å; Y78-F106 AromaticContact CD2-CD2 3.95Å; Y78-F106 HydrophobicContact CD2-CD2 3.95Å; Y78-F106 HydrophobicContact CG-CD2 4.16Å; Y78-F106 HydrophobicContact CG-CE2 4.49Å; Y78-Q109 HydrophobicContact CD2-CB 3.67Å; Y78-Q109 HydrophobicContact CD2-CG 4.47Å; Y78-Q109 HydrophobicContact CE2-CB 4.25Å | ||
| 79 | R | 90.9 | Very high | 83.7 | Confident | 160 Ų | 160 | 44 Ų | 44 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.6 | -178.9 | -71.4 | -169.6 | -179.4 | 104.2 | 3.8 | 112.1 | K10 A81 | K10-R79 PolarHBondContact NZ-O 3.1Å; R79-A81 PolarHBondContact O-N 2.88Å |
| 80 | G | 91.5 | Very high | 85.5 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 62% | 0.619 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 20 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y78 | Y78-G80 PolarHBondContact O-N 2.98Š|
| 81 | A | 95.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | trans | -68.2 | 140.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I12 Y78 R79 F106 F118 | I12-A81 HydrophobicContact CD1-CB 4.39Å; I12-A81 HydrophobicContact CG1-CB 3.63Å; Y78-A81 WeakPolarHBondContact O-CB 3.33Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-A81 VanDerWaalsContact O-N 3.17Å; R79-A81 PolarHBondContact O-N 2.88Å; A81-F106 HydrophobicContact CB-CE2 3.99Å; A81-F106 HydrophobicContact CB-CZ 3.87Å; A81-F118 HydrophobicContact CB-CZ 4.34Å; A81-F118 VanDerWaalsContact O-CE2 3.23Å; A81-F118 WeakPolarHBondContact O-CE2 3.3Å; A81-F118 WeakPolarHBondContact O-CZ 3.41Å | ||
| 82 | D | 97.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -98.6 | -17.4 | 177.9 | -55.9 | -59.9 | 0 | 0 | 0 | 111.8 | L9 K10 P119 A173 Q176 | L9-D82 WeakPolarHBondContact CA-OD2 3.49Å; K10-D82 PolarHBondContact N-OD2 3.28Å; K10-D82 PolarHBondContact O-N 2.9Å; D82-P119 WeakPolarHBondContact O-CG 3.28Å; D82-A173 HydrophobicContact CB-CB 3.87Å; D82-A173 WeakPolarHBondContact O-CA 3.19Å; D82-Q176 WeakPolarHBondContact O-CB 3.35Å; D82-Q176 WeakPolarHBondContact O-CG 3.22Å |
| 83 | C | 98.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.4 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | K10 V11 I12 P119 I169 A173 | K10-C83 PolarHBondContact O-N 2.9Å; V11-C83 WeakPolarHBondContact CA-O 3.45Å; V11-C83 HydrophobicContact CG2-CB 4.42Å; I12-C83 PolarHBondContact N-O 3.31Å; C83-P119 WeakPolarHBondContact CA-O 3.42Å; C83-P119 HydrophobicContact CB-CG 4.21Å; C83-P119 PolarHBondContact SG-O 2.73Å; C83-P119 VanDerWaalsContact SG-O 3.35Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; C83-A173 HydrophobicContact CB-CB 3.8Å |
| 84 | C | 98 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.2 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | I12 F106 F118 P119 F120 V121 | I12-C84 CarbonylContact O-C 3.57Å; I12-C84 WeakPolarHBondContact O-CA 3.35Å; C84-F106 HydrophobicContact CB-CD1 4.08Å; C84-F106 HydrophobicContact CB-CD2 4Å; C84-F106 HydrophobicContact CB-CE1 3.94Å; C84-F106 HydrophobicContact CB-CE2 3.83Å; C84-F106 HydrophobicContact CB-CG 4.11Å; C84-F106 HydrophobicContact CB-CZ 3.81Å; C84-F118 HydrophobicContact CB-CE1 3.87Å; C84-P119 PolarHBondContact N-O 2.79Å; C84-F120 HydrophobicContact CB-CD1 3.56Å; C84-F120 HydrophobicContact CB-CE1 3.53Å; C84-F120 HydrophobicContact CB-CG 4.49Å; C84-F120 HydrophobicContact CB-CZ 4.44Å; C84-F120 CarbonylContact O-C 3.55Å; C84-F120 VanDerWaalsContact O-CA 3.25Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; C84-V121 PolarHBondContact O-N 3.37Å |
| 85 | V | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.6 | 177.8 | -174 | 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 2.78Å; I13-V85 WeakPolarHBondContact CA-O 3.44Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.47Å; I13-V85 HydrophobicContact CG2-CB 4.33Å; I13-V85 HydrophobicContact CG2-CG1 4.41Å; L14-V85 PolarHBondContact N-O 2.85Å; V85-V87 HydrophobicContact CG1-CG2 4.05Å; V85-V121 CarbonylContact C-O 3.57Å; V85-V121 WeakPolarHBondContact CA-O 3.33Å; V85-L123 HydrophobicContact CG1-CD1 3.49Å; V85-L123 VanDerWaalsContact CG1-CD1 3.49Å; V85-L123 HydrophobicContact CG1-CG 3.67Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.1Å; V85-I169 HydrophobicContact CG2-CD1 3.47Å; V85-I169 VanDerWaalsContact CG2-CD1 3.47Å; V85-I169 HydrophobicContact CG2-CG1 3.89Å; V85-I169 HydrophobicContact CG2-CG2 4.06Å |
| 86 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.3 | 178.7 | -63.6 | 178.6 | 0 | 0 | 0 | 109.4 | L14 L99 W102 R103 F120 V121 V122 L123 W142 | L14-L86 HydrophobicContact CB-CD2 4.15Å; L86-L99 HydrophobicContact CB-CD2 4.1Å; L86-W102 HydrophobicContact CD2-CB 3.96Å; L86-R103 HydrophobicContact CD1-CB 4.05Å; L86-F120 HydrophobicContact CD1-CD1 3.98Å; L86-F120 HydrophobicContact CG-CD1 4.12Å; L86-V121 PolarHBondContact N-O 2.56Å; L86-V122 HydrophobicContact CB-CG2 4.18Å; L86-V122 HydrophobicContact CD1-CG2 4.43Å; L86-V122 CarbonylContact O-C 3.48Å; L86-V122 WeakPolarHBondContact O-CA 3.42Å; L86-L123 PolarHBondContact O-N 2.92Å; L86-W142 HydrophobicContact CD1-CH2 3.95Å; L86-W142 HydrophobicContact CD1-CZ3 4.47Å |
| 87 | V | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.6 | -175 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | I13 L14 G15 V19 K21 L24 V85 L123 N125 | I13-V87 HydrophobicContact CG2-CG2 3.49Å; I13-V87 VanDerWaalsContact CG2-CG2 3.49Å; L14-V87 PolarHBondContact O-N 2.78Å; G15-V87 WeakPolarHBondContact CA-O 3.25Å; V19-V87 HydrophobicContact CB-CG1 4.26Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; K21-V87 HydrophobicContact CG-CB 4.1Å; K21-V87 HydrophobicContact CG-CG2 4.19Å; L24-V87 HydrophobicContact CD1-CG1 3.72Å; L24-V87 HydrophobicContact CD1-CG2 4.14Å; V85-V87 HydrophobicContact CG1-CG2 4.05Å; V87-L123 WeakPolarHBondContact CA-O 3.22Å; V87-L123 HydrophobicContact CG1-CB 4.42Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.3Å; V87-N125 HydrophobicContact CG1-CB 4.07Å |
| 88 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 166.7 | 169.3 | 75.1 | -84.4 | 0 | 0 | 0 | 110.9 | V90 T95 F96 L99 V122 L123 G124 N125 V134 A139 Y151 | F88-V90 HydrophobicContact CE2-CG1 3.93Å; F88-V90 HydrophobicContact CZ-CG1 4.35Å; F88-T95 WeakPolarHBondContact CB-O 3.31Å; F88-F96 HydrophobicContact CB-CB 4.44Å; F88-F96 AromaticContact CD1-CD2 3.92Å; F88-F96 HydrophobicContact CD1-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CB 3.8Å; F88-F96 AromaticContact CD2-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CG 4.34Å; F88-F96 AromaticContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CE2 4.18Å; F88-F96 HydrophobicContact CE2-CB 4.24Å; F88-F96 AromaticContact CE2-CD2 3.83Å; F88-F96 HydrophobicContact CE2-CD2 3.83Å; F88-F96 HydrophobicContact CE2-CG 4.39Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 AromaticContact CG-CD2 3.98Å; F88-F96 HydrophobicContact CG-CD2 3.98Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.23Å; F88-L99 HydrophobicContact CB-CD1 4.41Å; F88-L99 HydrophobicContact CB-CD2 4.19Å; F88-L99 HydrophobicContact CB-CG 4.44Å; F88-L99 HydrophobicContact CD1-CD1 3.76Å; F88-L99 HydrophobicContact CE1-CD1 4.37Å; F88-L99 HydrophobicContact CG-CD1 4.33Å; F88-V122 HydrophobicContact CD1-CG1 4.01Å; F88-V122 HydrophobicContact CE1-CG1 3.82Å; F88-L123 PolarHBondContact N-O 2.99Å; F88-G124 VanDerWaalsContact CE1-CA 3.43Å; F88-N125 PolarHBondContact O-N 3.26Å; F88-V134 HydrophobicContact CD2-CG2 4.49Å; F88-V134 HydrophobicContact CE2-CB 3.91Å; F88-V134 HydrophobicContact CE2-CG1 3.73Å; F88-V134 HydrophobicContact CE2-CG2 4.15Å; F88-V134 HydrophobicContact CZ-CG1 4.15Å; F88-A139 HydrophobicContact CE1-CB 4.37Å; F88-A139 HydrophobicContact CZ-CB 3.91Å; F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CZ-CE2 4.02Å |
| 89 | D | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.7 | 176 | 179.2 | -16.4 | 0 | 0 | 0 | 109.8 | V19 T91 A92 T95 K126 | V19-D89 HydrophobicContact CB-CB 4.42Å; V19-D89 HydrophobicContact CG1-CB 4.3Å; D89-T91 VanDerWaalsContact CG-OG1 3.26Å; D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.47Å; D89-T91 PolarHBondContact OD1-N 3.48Å; D89-T91 PolarHBondContact OD1-OG1 2.84Å; D89-T91 PolarHBondContact OD2-OG1 3.06Å; D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 PolarHBondContact O-N 3.22Å; D89-T95 PolarHBondContact N-OG1 3.44Å; D89-T95 PolarHBondContact O-OG1 3.21Å; D89-K126 VanDerWaalsContact OD2-CD 3.26Å; D89-K126 WeakPolarHBondContact OD2-CD 3.42Å; D89-K126 WeakPolarHBondContact OD2-CE 3.43Å; D89-K126 IonicContact OD2-NZ 2.69Å; D89-K126 PolarHBondContact OD2-NZ 2.8Å |
| 90 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.9 | -178 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | F88 N125 I127 R132 Q133 V134 | F88-V90 HydrophobicContact CE2-CG1 3.93Å; F88-V90 HydrophobicContact CZ-CG1 4.35Å; V90-N125 WeakPolarHBondContact CG2-O 3.48Å; V90-N125 PolarHBondContact N-O 3.33Å; V90-I127 HydrophobicContact CG1-CG2 4.07Å; V90-I127 HydrophobicContact CG2-CG2 4.18Å; V90-R132 HydrophobicContact CB-CG 4.49Å; V90-Q133 PolarHBondContact O-N 3.12Å; V90-V134 PolarHBondContact O-N 3Å |
| 91 | T | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 16% | 0.16 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.4 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | D89 L129 N131 Q133 | D89-T91 VanDerWaalsContact CG-OG1 3.26Å; D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.47Å; D89-T91 PolarHBondContact OD1-N 3.48Å; D89-T91 PolarHBondContact OD1-OG1 2.84Å; D89-T91 PolarHBondContact OD2-OG1 3.06Å; T91-L129 HydrophobicContact CG2-CB 3.68Å; T91-L129 HydrophobicContact CG2-CD1 3.89Å; T91-L129 HydrophobicContact CG2-CG 4.41Å; T91-N131 WeakPolarHBondContact CB-O 3.32Å; T91-Q133 PolarHBondContact O-NE2 3.47Å; T91-Q133 VanDerWaalsContact O-NE2 3.16Å |
| 92 | A | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 25.4 Ų | 25.4 | 26% | 0.256 | 14% | 0.144 | S | C | . | . | trans | -124.5 | 90.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D89 N94 T95 | D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 PolarHBondContact O-N 3.22Å; A92-N94 PolarHBondContact O-N 3.03Å; A92-T95 HydrophobicContact CB-CG2 3.86Å; A92-T95 WeakPolarHBondContact O-CB 3.32Å; A92-T95 PolarHBondContact O-N 3.46Å; A92-T95 PolarHBondContact O-OG1 3.36Å | ||
| 93 | P | 97.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -27.1 | -171.9 | -28.2 | 36.4 | 0 | 0 | 0 | 115.8 | T95 F96 K97 Q133 V134 | P93-T95 VanDerWaalsContact C-N 3.28Å; P93-T95 PolarHBondContact O-N 2.72Å; P93-F96 PolarHBondContact O-N 3.2Å; P93-K97 PolarHBondContact O-N 3.25Å; P93-Q133 HydrophobicContact CG-CB 3.43Å; P93-Q133 VanDerWaalsContact CG-CB 3.43Å; P93-Q133 HydrophobicContact CG-CG 4.37Å; P93-V134 HydrophobicContact CB-CG2 4.29Å; P93-V134 HydrophobicContact CG-CG2 4.4Å |
| 94 | N | 97.9 | Very high | 97.5 | Very high | 105 Ų | 105 | 29.2 Ų | 29.2 | 56% | 0.561 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -65.9 | -34.5 | 178.5 | -68.9 | -21.2 | 0 | 0 | 0 | 111.6 | A92 F96 K97 T98 | A92-N94 PolarHBondContact O-N 3.03Å; N94-F96 PolarHBondContact O-N 3.34Å; N94-K97 WeakPolarHBondContact O-CB 3.48Å; N94-K97 PolarHBondContact O-N 3.46Å; N94-K97 PolarHBondContact OD1-NZ 3.21Å; N94-T98 PolarHBondContact O-N 2.75Å; N94-T98 PolarHBondContact O-OG1 3.17Å |
| 95 | T | 98.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -22.5 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 113 | D16 V19 F88 D89 A92 P93 T98 | D16-T95 HydrophobicContact CB-CG2 4Å; D16-T95 WeakPolarHBondContact OD2-CA 3.42Å; V19-T95 HydrophobicContact CG1-CG2 3.78Å; F88-T95 WeakPolarHBondContact CB-O 3.31Å; D89-T95 PolarHBondContact N-OG1 3.44Å; D89-T95 PolarHBondContact O-OG1 3.21Å; A92-T95 HydrophobicContact CB-CG2 3.86Å; A92-T95 WeakPolarHBondContact O-CB 3.32Å; A92-T95 PolarHBondContact O-N 3.46Å; A92-T95 PolarHBondContact O-OG1 3.36Å; P93-T95 VanDerWaalsContact C-N 3.28Å; P93-T95 PolarHBondContact O-N 2.72Å; T95-T98 PolarHBondContact O-OG1 3.3Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å |
| 96 | F | 98.6 | Very high | 97 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -80.2 | -36.2 | 171.4 | 179 | -100.7 | 0 | 0 | 0 | 111.9 | F88 P93 N94 T98 L99 V134 R138 A139 W142 | F88-F96 HydrophobicContact CB-CB 4.44Å; F88-F96 AromaticContact CD1-CD2 3.92Å; F88-F96 HydrophobicContact CD1-CD2 3.92Å; F88-F96 HydrophobicContact CD2-CB 3.8Å; F88-F96 AromaticContact CD2-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CG 4.34Å; F88-F96 AromaticContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CE2 4.18Å; F88-F96 HydrophobicContact CE2-CB 4.24Å; F88-F96 AromaticContact CE2-CD2 3.83Å; F88-F96 HydrophobicContact CE2-CD2 3.83Å; F88-F96 HydrophobicContact CE2-CG 4.39Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 AromaticContact CG-CD2 3.98Å; F88-F96 HydrophobicContact CG-CD2 3.98Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.23Å; P93-F96 PolarHBondContact O-N 3.2Å; N94-F96 PolarHBondContact O-N 3.34Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 3.38Å; F96-L99 HydrophobicContact CD2-CD1 3.68Å; F96-L99 HydrophobicContact CE2-CD1 3.92Å; F96-L99 WeakPolarHBondContact O-CB 3.34Å; F96-L99 WeakPolarHBondContact O-CG 3.21Å; F96-L99 PolarHBondContact O-N 2.84Å; F96-V134 HydrophobicContact CB-CG1 4.36Å; F96-V134 HydrophobicContact CB-CG2 4Å; F96-V134 HydrophobicContact CD1-CG1 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.11Å; F96-V134 HydrophobicContact CG-CG1 3.98Å; F96-V134 HydrophobicContact CG-CG2 4.47Å; F96-R138 HydrophobicContact CE1-CG 4.02Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; F96-A139 HydrophobicContact CE2-CB 3.86Å; F96-A139 HydrophobicContact CZ-CB 4.36Å; F96-W142 HydrophobicContact CE2-CB 4.42Å; F96-W142 HydrophobicContact CZ-CB 3.66Å; F96-W142 AromaticContact CZ-CG 3.97Å; F96-W142 HydrophobicContact CZ-CG 3.97Å |
| 97 | K | 97.8 | Very high | 96.9 | Very high | 120 Ų | 120 | 32.6 Ų | 32.6 | 52% | 0.522 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.9 | -30.9 | 178.7 | -66.4 | 173.4 | -171.8 | 164.7 | 0 | 112.3 | P93 N94 L99 | P93-K97 PolarHBondContact O-N 3.25Å; N94-K97 WeakPolarHBondContact O-CB 3.48Å; N94-K97 PolarHBondContact O-N 3.46Å; N94-K97 PolarHBondContact OD1-NZ 3.21Å; K97-L99 PolarHBondContact O-N 2.91Å |
| 98 | T | 96.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -6 | -179.6 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | D16 N94 T95 F96 D100 S101 W102 | D16-T98 VanDerWaalsContact CG-OG1 3.22Å; D16-T98 WeakPolarHBondContact OD1-CB 3.4Å; D16-T98 PolarHBondContact OD1-OG1 2.88Å; D16-T98 PolarHBondContact OD2-OG1 2.85Å; N94-T98 PolarHBondContact O-N 2.75Å; N94-T98 PolarHBondContact O-OG1 3.17Å; T95-T98 PolarHBondContact O-OG1 3.3Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 3.38Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.95Å; T98-S101 WeakPolarHBondContact O-CB 3.37Å; T98-S101 PolarHBondContact O-N 2.95Å; T98-S101 VanDerWaalsContact O-N 3.09Å; T98-W102 PolarHBondContact O-N 3.36Å |
| 99 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -34.4 | 179.3 | -67.8 | -173 | 0 | 0 | 0 | 113.3 | L86 F88 F96 K97 W102 R103 V122 W142 | L86-L99 HydrophobicContact CB-CD2 4.1Å; F88-L99 HydrophobicContact CB-CD1 4.41Å; F88-L99 HydrophobicContact CB-CD2 4.19Å; F88-L99 HydrophobicContact CB-CG 4.44Å; F88-L99 HydrophobicContact CD1-CD1 3.76Å; F88-L99 HydrophobicContact CE1-CD1 4.37Å; F88-L99 HydrophobicContact CG-CD1 4.33Å; F96-L99 HydrophobicContact CD2-CD1 3.68Å; F96-L99 HydrophobicContact CE2-CD1 3.92Å; F96-L99 WeakPolarHBondContact O-CB 3.34Å; F96-L99 WeakPolarHBondContact O-CG 3.21Å; F96-L99 PolarHBondContact O-N 2.84Å; K97-L99 PolarHBondContact O-N 2.91Å; L99-W102 PolarHBondContact O-N 2.89Å; L99-R103 WeakPolarHBondContact O-CB 3.25Å; L99-R103 PolarHBondContact O-N 2.84Å; L99-V122 HydrophobicContact CD1-CG1 4.09Å; L99-W142 HydrophobicContact CB-CH2 3.93Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.44Å |
| 100 | D | 96.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 173.2 | -76.6 | -70.7 | 0 | 0 | 0 | 110.7 | T98 W102 R103 D104 W142 K146 | T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.95Å; D100-W102 PolarHBondContact O-N 3.18Å; D100-R103 PolarHBondContact O-N 3.35Å; D100-D104 WeakPolarHBondContact O-CB 3.43Å; D100-D104 VanDerWaalsContact O-CG 3.23Å; D100-D104 PolarHBondContact O-N 2.56Å; D100-W142 PolarHBondContact OD1-NE1 3.32Å; D100-W142 PolarHBondContact OD2-NE1 2.85Å; D100-K146 WeakPolarHBondContact OD1-CE 3.26Å; D100-K146 IonicContact OD1-NZ 2.68Å; D100-K146 PolarHBondContact OD1-NZ 2.87Å |
| 101 | S | 94.6 | Very high | 95.6 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 55% | 0.545 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 178 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | T98 D104 E105 | T98-S101 WeakPolarHBondContact O-CB 3.37Å; T98-S101 PolarHBondContact O-N 2.95Å; T98-S101 VanDerWaalsContact O-N 3.09Å; S101-D104 PolarHBondContact O-N 2.99Å; S101-E105 VanDerWaalsContact O-CB 3.27Å; S101-E105 WeakPolarHBondContact O-CB 3.48Å; S101-E105 PolarHBondContact O-N 3.3Å |
| 102 | W | 94.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 177 | -76.4 | 115 | 0 | 0 | 0 | 112.9 | L14 G15 D16 Q71 L86 T98 L99 D100 F106 | L14-W102 HydrophobicContact CB-CD2 4.31Å; L14-W102 HydrophobicContact CB-CE3 3.95Å; L14-W102 HydrophobicContact CB-CZ3 4.46Å; L14-W102 HydrophobicContact CD1-CE3 4.22Å; L14-W102 HydrophobicContact CD2-CE3 4.42Å; L14-W102 HydrophobicContact CD2-CZ3 4.3Å; L14-W102 HydrophobicContact CG-CE3 4.43Å; G15-W102 VanDerWaalsContact C-CE2 3.44Å; G15-W102 VanDerWaalsContact C-CZ2 3.44Å; G15-W102 WeakPolarHBondContact O-CZ2 3.46Å; D16-W102 PolarHBondContact OD1-NE1 3.39Å; Q71-W102 HydrophobicContact CG-CH2 3.65Å; Q71-W102 HydrophobicContact CG-CZ3 4.1Å; L86-W102 HydrophobicContact CD2-CB 3.96Å; T98-W102 PolarHBondContact O-N 3.36Å; L99-W102 PolarHBondContact O-N 2.89Å; D100-W102 PolarHBondContact O-N 3.18Å; W102-F106 WeakPolarHBondContact O-CB 3.47Å; W102-F106 PolarHBondContact O-N 3.42Å |
| 103 | R | 95.8 | Very high | 95 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 6% | 0.06 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.7 | 178.4 | -178.8 | 162.9 | 126.3 | -6.8 | 110.6 | L86 L99 D100 F106 L107 F120 K146 | L86-R103 HydrophobicContact CD1-CB 4.05Å; L99-R103 WeakPolarHBondContact O-CB 3.25Å; L99-R103 PolarHBondContact O-N 2.84Å; D100-R103 PolarHBondContact O-N 3.35Å; R103-F106 PolarHBondContact O-N 3.43Å; R103-L107 HydrophobicContact CG-CD1 4.15Å; R103-L107 WeakPolarHBondContact O-CG 3.16Å; R103-L107 PolarHBondContact O-N 2.96Å; R103-F120 HydrophobicContact CG-CE1 4.06Å; R103-F120 HydrophobicContact CG-CE2 4.39Å; R103-F120 HydrophobicContact CG-CZ 3.91Å; R103-K146 PolarHBondContact NH1-O 2.98Å |
| 104 | D | 94.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | -177 | -67.6 | -11.2 | 0 | 0 | 0 | 111 | D100 S101 F106 L107 I108 | D100-D104 WeakPolarHBondContact O-CB 3.43Å; D100-D104 VanDerWaalsContact O-CG 3.23Å; D100-D104 PolarHBondContact O-N 2.56Å; S101-D104 PolarHBondContact O-N 2.99Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 2.77Å; D104-L107 PolarHBondContact O-N 3.41Å; D104-I108 WeakPolarHBondContact O-CD1 3.26Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.42Å; D104-I108 PolarHBondContact O-N 3.16Å |
| 105 | E | 92.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 173.8 | -173.9 | -166.5 | 135 | 0 | 0 | 111.1 | Y78 S101 L107 I108 Q109 | Y78-E105 HydrophobicContact CE2-CG 4.48Å; Y78-E105 PolarHBondContact OH-OE1 3.17Å; S101-E105 VanDerWaalsContact O-CB 3.27Å; S101-E105 WeakPolarHBondContact O-CB 3.48Å; S101-E105 PolarHBondContact O-N 3.3Å; E105-L107 PolarHBondContact O-N 2.96Å; E105-I108 PolarHBondContact O-N 2.86Å; E105-Q109 HydrophobicContact CG-CG 4.28Å; E105-Q109 WeakPolarHBondContact O-CB 3.47Å; E105-Q109 VanDerWaalsContact O-CG 3.24Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.01Å |
| 106 | F | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -49 | 177.8 | 177.1 | -89.7 | 0 | 0 | 0 | 111.5 | I12 L14 Y78 A81 C84 W102 R103 D104 I108 Q109 A110 F118 F120 | I12-F106 HydrophobicContact CB-CE2 4.28Å; I12-F106 HydrophobicContact CG1-CE2 4.15Å; L14-F106 HydrophobicContact CD1-CB 3.77Å; L14-F106 HydrophobicContact CD1-CD2 4.03Å; L14-F106 HydrophobicContact CD1-CG 4.31Å; Y78-F106 AromaticContact CD2-CD2 3.95Å; Y78-F106 HydrophobicContact CD2-CD2 3.95Å; Y78-F106 HydrophobicContact CG-CD2 4.16Å; Y78-F106 HydrophobicContact CG-CE2 4.49Å; A81-F106 HydrophobicContact CB-CE2 3.99Å; A81-F106 HydrophobicContact CB-CZ 3.87Å; C84-F106 HydrophobicContact CB-CD1 4.08Å; C84-F106 HydrophobicContact CB-CD2 4Å; C84-F106 HydrophobicContact CB-CE1 3.94Å; C84-F106 HydrophobicContact CB-CE2 3.83Å; C84-F106 HydrophobicContact CB-CG 4.11Å; C84-F106 HydrophobicContact CB-CZ 3.81Å; W102-F106 WeakPolarHBondContact O-CB 3.47Å; W102-F106 PolarHBondContact O-N 3.42Å; R103-F106 PolarHBondContact O-N 3.43Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 2.77Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 3.35Å; F106-Q109 PolarHBondContact O-N 3.02Å; F106-A110 HydrophobicContact CD1-CB 4.18Å; F106-A110 HydrophobicContact CD2-CB 4.26Å; F106-A110 HydrophobicContact CE1-CB 3.76Å; F106-A110 HydrophobicContact CE2-CB 3.87Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.59Å; F106-A110 WeakPolarHBondContact O-CB 3.44Å; F106-A110 PolarHBondContact O-N 3.03Å; F106-F118 HydrophobicContact CD1-CD1 4.46Å; F106-F118 HydrophobicContact CD1-CE1 4.27Å; F106-F118 AromaticContact CE1-CD1 3.59Å; F106-F118 HydrophobicContact CE1-CD1 3.59Å; F106-F118 AromaticContact CE1-CE1 3.17Å; F106-F118 HydrophobicContact CE1-CE1 3.17Å; F106-F118 HydrophobicContact CE1-CE2 4.29Å; F106-F118 HydrophobicContact CE1-CG 4.3Å; F106-F118 AromaticContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CZ-CD1 4.25Å; F106-F118 AromaticContact CZ-CE1 3.38Å; F106-F118 HydrophobicContact CZ-CE1 3.38Å; F106-F118 HydrophobicContact CZ-CE2 4.29Å; F106-F118 AromaticContact CZ-CZ 3.4Å; F106-F118 HydrophobicContact CZ-CZ 3.4Å; F106-F118 VanDerWaalsContact CZ-CZ 3.4Å; F106-F120 AromaticContact CD1-CE1 3.76Å; F106-F120 HydrophobicContact CD1-CE1 3.76Å; F106-F120 AromaticContact CD1-CZ 3.59Å; F106-F120 HydrophobicContact CD1-CZ 3.59Å; F106-F120 HydrophobicContact CE1-CE1 4.35Å; F106-F120 HydrophobicContact CE1-CZ 4.1Å; F106-F120 HydrophobicContact CG-CE1 4.27Å; F106-F120 HydrophobicContact CG-CZ 4.48Å |
| 107 | L | 95 | Very high | 94 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | -177.9 | -70.7 | 177.8 | 0 | 0 | 0 | 112.1 | R103 D104 E105 S111 P112 P115 F120 | R103-L107 HydrophobicContact CG-CD1 4.15Å; R103-L107 WeakPolarHBondContact O-CG 3.16Å; R103-L107 PolarHBondContact O-N 2.96Å; D104-L107 PolarHBondContact O-N 3.41Å; E105-L107 PolarHBondContact O-N 2.96Å; L107-S111 WeakPolarHBondContact O-CA 3.23Å; L107-S111 PolarHBondContact O-N 3.34Å; L107-S111 VanDerWaalsContact O-N 3.08Å; L107-P112 HydrophobicContact CD2-CG 3.76Å; L107-P112 WeakPolarHBondContact O-CD 3.18Å; L107-P115 HydrophobicContact CD2-CB 3.98Å; L107-F120 HydrophobicContact CD2-CE2 3.9Å; L107-F120 HydrophobicContact CD2-CZ 3.71Å; L107-F120 HydrophobicContact CG-CE2 4.43Å; L107-F120 HydrophobicContact CG-CZ 3.97Å |
| 108 | I | 92.9 | Very high | 94 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 60% | 0.595 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -49.7 | 176.3 | -68.8 | 164.9 | 0 | 0 | 0 | 110.3 | D104 E105 F106 S111 | D104-I108 WeakPolarHBondContact O-CD1 3.26Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.42Å; D104-I108 PolarHBondContact O-N 3.16Å; E105-I108 PolarHBondContact O-N 2.86Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 3.35Å; I108-S111 PolarHBondContact O-OG 2.82Å |
| 109 | Q | 91.1 | Very high | 94 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -83.5 | -38.8 | -168.8 | -63.4 | -57.6 | -21.6 | 0 | 0 | 113.9 | V75 Y78 E105 F106 S111 | V75-Q109 HydrophobicContact CG1-CB 3.88Å; V75-Q109 HydrophobicContact CG1-CG 3.61Å; V75-Q109 HydrophobicContact CG2-CG 4.27Å; Y78-Q109 HydrophobicContact CD2-CB 3.67Å; Y78-Q109 HydrophobicContact CD2-CG 4.47Å; Y78-Q109 HydrophobicContact CE2-CB 4.25Å; E105-Q109 HydrophobicContact CG-CG 4.28Å; E105-Q109 WeakPolarHBondContact O-CB 3.47Å; E105-Q109 VanDerWaalsContact O-CG 3.24Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.01Å; F106-Q109 PolarHBondContact O-N 3.02Å; Q109-S111 VanDerWaalsContact C-N 3.29Å |
| 110 | A | 92.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.8 | -30.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F106 | F106-A110 HydrophobicContact CD1-CB 4.18Å; F106-A110 HydrophobicContact CD2-CB 4.26Å; F106-A110 HydrophobicContact CE1-CB 3.76Å; F106-A110 HydrophobicContact CE2-CB 3.87Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.59Å; F106-A110 WeakPolarHBondContact O-CB 3.44Å; F106-A110 PolarHBondContact O-N 3.03Å |
| 111 | S | 92.7 | Very high | 94.2 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | trans | 45.1 | 54.6 | -174.8 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | L107 I108 Q109 | L107-S111 WeakPolarHBondContact O-CA 3.23Å; L107-S111 PolarHBondContact O-N 3.34Å; L107-S111 VanDerWaalsContact O-N 3.08Å; I108-S111 PolarHBondContact O-OG 2.82Å; Q109-S111 VanDerWaalsContact C-N 3.29Å | ||
| 112 | P | 93 | Very high | 94.4 | Very high | 20 Ų | 20 | 47 Ų | 47 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | trans | -62.8 | 148.2 | 179.5 | 30.4 | -34.4 | 0 | 0 | 0 | 109.6 | L107 D114 P115 F118 | L107-P112 HydrophobicContact CD2-CG 3.76Å; L107-P112 WeakPolarHBondContact O-CD 3.18Å; P112-D114 VanDerWaalsContact C-N 3.29Å; P112-D114 PolarHBondContact O-N 2.79Å; P112-P115 HydrophobicContact CG-CB 4.4Å; P112-P115 HydrophobicContact CG-CG 4.36Å; P112-P115 WeakPolarHBondContact O-CD 3.4Å; P112-P115 WeakPolarHBondContact O-CG 3.34Å; P112-F118 HydrophobicContact CB-CB 4.27Å; P112-F118 HydrophobicContact CB-CD2 3.41Å; P112-F118 VanDerWaalsContact CB-CD2 3.41Å; P112-F118 HydrophobicContact CB-CE2 4.04Å; P112-F118 HydrophobicContact CB-CG 4.02Å; P112-F118 HydrophobicContact CG-CB 4.19Å; P112-F118 HydrophobicContact CG-CD2 4.01Å; P112-F118 HydrophobicContact CG-CG 4.12Å | ||
| 113 | R | 89.5 | Confident | 94.6 | Very high | 151 Ų | 151 | 46.8 Ų | 46.8 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -62.6 | -36.9 | -176 | 179.5 | 173.3 | 169.3 | -119.4 | -9.3 | 113.1 | Y183 | R113-Y183 VanDerWaalsContact CZ-CE1 3.49Å; R113-Y183 VanDerWaalsContact NH1-CD1 3.27Å; R113-Y183 VanDerWaalsContact NH2-CZ 3.31Å |
| 114 | D | 93 | Very high | 94.7 | Very high | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | trans | -121.2 | 85.9 | 175 | -173.4 | -10.8 | 0 | 0 | 0 | 109.6 | P112 E116 N117 F118 | P112-D114 VanDerWaalsContact C-N 3.29Å; P112-D114 PolarHBondContact O-N 2.79Å; D114-E116 VanDerWaalsContact C-N 3.26Å; D114-E116 PolarHBondContact O-N 3.4Å; D114-E116 PolarHBondContact OD1-N 3.17Å; D114-N117 PolarHBondContact O-N 3.5Å; D114-N117 PolarHBondContact OD1-N 3.41Å; D114-N117 PolarHBondContact OD1-ND2 2.91Å; D114-N117 WeakPolarHBondContact OD2-CB 3.33Å; D114-N117 PolarHBondContact OD2-ND2 2.96Å; D114-F118 WeakPolarHBondContact O-CB 3.13Å; D114-F118 PolarHBondContact O-N 2.99Å | ||
| 115 | P | 93.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.7 | -178.2 | -25.8 | 36 | 0 | 0 | 0 | 114.5 | L107 P112 | L107-P115 HydrophobicContact CD2-CB 3.98Å; P112-P115 HydrophobicContact CG-CB 4.4Å; P112-P115 HydrophobicContact CG-CG 4.36Å; P112-P115 WeakPolarHBondContact O-CD 3.4Å; P112-P115 WeakPolarHBondContact O-CG 3.34Å |
| 116 | E | 91.4 | Very high | 95.2 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -34.4 | -175.3 | -67.8 | -57.2 | 135.9 | 0 | 0 | 111.7 | D114 N147 | D114-E116 VanDerWaalsContact C-N 3.26Å; D114-E116 PolarHBondContact O-N 3.4Å; D114-E116 PolarHBondContact OD1-N 3.17Å; E116-N147 PolarHBondContact O-ND2 3.46Å |
| 117 | N | 93.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -1.5 | 178.4 | -60.2 | -54.1 | 0 | 0 | 0 | 113.9 | D114 N147 | D114-N117 PolarHBondContact O-N 3.5Å; D114-N117 PolarHBondContact OD1-N 3.41Å; D114-N117 PolarHBondContact OD1-ND2 2.91Å; D114-N117 WeakPolarHBondContact OD2-CB 3.33Å; D114-N117 PolarHBondContact OD2-ND2 2.96Å; N117-N147 PolarHBondContact OD1-ND2 3.02Å |
| 118 | F | 97.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -55.3 | 131.4 | 176.5 | -174.4 | -89.8 | 0 | 0 | 0 | 110.7 | A81 C84 F106 P112 D114 F120 Q176 | A81-F118 HydrophobicContact CB-CZ 4.34Å; A81-F118 VanDerWaalsContact O-CE2 3.23Å; A81-F118 WeakPolarHBondContact O-CE2 3.3Å; A81-F118 WeakPolarHBondContact O-CZ 3.41Å; C84-F118 HydrophobicContact CB-CE1 3.87Å; F106-F118 HydrophobicContact CD1-CD1 4.46Å; F106-F118 HydrophobicContact CD1-CE1 4.27Å; F106-F118 AromaticContact CE1-CD1 3.59Å; F106-F118 HydrophobicContact CE1-CD1 3.59Å; F106-F118 AromaticContact CE1-CE1 3.17Å; F106-F118 HydrophobicContact CE1-CE1 3.17Å; F106-F118 HydrophobicContact CE1-CE2 4.29Å; F106-F118 HydrophobicContact CE1-CG 4.3Å; F106-F118 AromaticContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CZ-CD1 4.25Å; F106-F118 AromaticContact CZ-CE1 3.38Å; F106-F118 HydrophobicContact CZ-CE1 3.38Å; F106-F118 HydrophobicContact CZ-CE2 4.29Å; 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 4.27Å; P112-F118 HydrophobicContact CB-CD2 3.41Å; P112-F118 VanDerWaalsContact CB-CD2 3.41Å; P112-F118 HydrophobicContact CB-CE2 4.04Å; P112-F118 HydrophobicContact CB-CG 4.02Å; P112-F118 HydrophobicContact CG-CB 4.19Å; P112-F118 HydrophobicContact CG-CD2 4.01Å; P112-F118 HydrophobicContact CG-CG 4.12Å; D114-F118 WeakPolarHBondContact O-CB 3.13Å; D114-F118 PolarHBondContact O-N 2.99Å; F118-F120 HydrophobicContact CB-CE2 4.25Å; F118-F120 HydrophobicContact CD1-CD2 4.06Å; F118-F120 AromaticContact CD1-CE2 3.67Å; F118-F120 HydrophobicContact CD1-CE2 3.67Å; F118-F120 AromaticContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CG-CE2 4.41Å; F118-F120 WeakPolarHBondContact O-CD2 2.94Å; F118-F120 PolarHBondContact O-N 2.71Å; F118-Q176 HydrophobicContact CE2-CG 4.49Å |
| 119 | P | 98 | Very high | 95.7 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | trans | -72.4 | 117.1 | -174.2 | 28.2 | -36.4 | 0 | 0 | 0 | 112 | D82 C83 C84 N172 Q176 | D82-P119 WeakPolarHBondContact O-CG 3.28Å; C83-P119 WeakPolarHBondContact CA-O 3.42Å; C83-P119 HydrophobicContact CB-CG 4.21Å; C83-P119 PolarHBondContact SG-O 2.73Å; C83-P119 VanDerWaalsContact SG-O 3.35Å; C84-P119 PolarHBondContact N-O 2.79Å; P119-N172 HydrophobicContact CB-CB 3.81Å; P119-Q176 HydrophobicContact CG-CB 3.82Å; P119-Q176 HydrophobicContact CG-CG 4.13Å | ||
| 120 | F | 98.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 156.3 | 164.5 | -69.6 | -89.1 | 0 | 0 | 0 | 110.4 | C84 L86 R103 F106 L107 F118 I149 P150 | C84-F120 HydrophobicContact CB-CD1 3.56Å; C84-F120 HydrophobicContact CB-CE1 3.53Å; C84-F120 HydrophobicContact CB-CG 4.49Å; C84-F120 HydrophobicContact CB-CZ 4.44Å; C84-F120 CarbonylContact O-C 3.55Å; C84-F120 VanDerWaalsContact O-CA 3.25Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; L86-F120 HydrophobicContact CD1-CD1 3.98Å; L86-F120 HydrophobicContact CG-CD1 4.12Å; R103-F120 HydrophobicContact CG-CE1 4.06Å; R103-F120 HydrophobicContact CG-CE2 4.39Å; R103-F120 HydrophobicContact CG-CZ 3.91Å; F106-F120 AromaticContact CD1-CE1 3.76Å; F106-F120 HydrophobicContact CD1-CE1 3.76Å; F106-F120 AromaticContact CD1-CZ 3.59Å; F106-F120 HydrophobicContact CD1-CZ 3.59Å; F106-F120 HydrophobicContact CE1-CE1 4.35Å; F106-F120 HydrophobicContact CE1-CZ 4.1Å; F106-F120 HydrophobicContact CG-CE1 4.27Å; F106-F120 HydrophobicContact CG-CZ 4.48Å; L107-F120 HydrophobicContact CD2-CE2 3.9Å; L107-F120 HydrophobicContact CD2-CZ 3.71Å; L107-F120 HydrophobicContact CG-CE2 4.43Å; L107-F120 HydrophobicContact CG-CZ 3.97Å; F118-F120 HydrophobicContact CB-CE2 4.25Å; F118-F120 HydrophobicContact CD1-CD2 4.06Å; F118-F120 AromaticContact CD1-CE2 3.67Å; F118-F120 HydrophobicContact CD1-CE2 3.67Å; F118-F120 AromaticContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CG-CE2 4.41Å; F118-F120 WeakPolarHBondContact O-CD2 2.94Å; F118-F120 PolarHBondContact O-N 2.71Å; F120-I149 HydrophobicContact CB-CD1 3.89Å; F120-I149 HydrophobicContact CB-CG1 4.2Å; F120-I149 HydrophobicContact CB-CG2 3.73Å; F120-I149 HydrophobicContact CG-CD1 4.48Å; F120-I149 WeakPolarHBondContact O-CG2 3.31Å; F120-P150 WeakPolarHBondContact O-CD 3.3Å |
| 121 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.9 | 164.2 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | C84 V85 L86 L123 P150 F152 I169 | C84-V121 PolarHBondContact O-N 3.37Å; V85-V121 CarbonylContact C-O 3.57Å; V85-V121 WeakPolarHBondContact CA-O 3.33Å; L86-V121 PolarHBondContact N-O 2.56Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; V121-P150 HydrophobicContact CG2-CB 4.43Å; V121-F152 HydrophobicContact CG1-CD2 3.83Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V121-I169 HydrophobicContact CB-CD1 4.42Å; V121-I169 HydrophobicContact CB-CG1 3.78Å; V121-I169 HydrophobicContact CG1-CD1 4.32Å; V121-I169 HydrophobicContact CG1-CG1 3.96Å; V121-I169 HydrophobicContact CG2-CG1 3.66Å |
| 122 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.5 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L86 F88 L99 W142 I149 P150 Y151 F152 | L86-V122 HydrophobicContact CB-CG2 4.18Å; L86-V122 HydrophobicContact CD1-CG2 4.43Å; L86-V122 CarbonylContact O-C 3.48Å; L86-V122 WeakPolarHBondContact O-CA 3.42Å; F88-V122 HydrophobicContact CD1-CG1 4.01Å; F88-V122 HydrophobicContact CE1-CG1 3.82Å; L99-V122 HydrophobicContact CD1-CG1 4.09Å; V122-W142 HydrophobicContact CG2-CE3 4.38Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; V122-I149 HydrophobicContact CG2-CD1 4.45Å; V122-I149 HydrophobicContact CG2-CG2 3.86Å; V122-P150 PolarHBondContact N-O 2.99Å; V122-Y151 HydrophobicContact CB-CD2 3.98Å; V122-Y151 HydrophobicContact CG1-CD2 3.77Å; V122-Y151 HydrophobicContact CG1-CE2 4.12Å; V122-Y151 WeakPolarHBondContact O-CA 3.44Å; V122-Y151 WeakPolarHBondContact O-CD2 3.33Å; V122-F152 PolarHBondContact O-N 3.25Å |
| 123 | L | 98.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.5 | 175.9 | -50.4 | -175.9 | 0 | 0 | 0 | 110.4 | L24 V85 L86 V87 F88 V121 N125 F152 T154 A165 | L24-L123 HydrophobicContact CD1-CD1 3.92Å; V85-L123 HydrophobicContact CG1-CD1 3.49Å; V85-L123 VanDerWaalsContact CG1-CD1 3.49Å; V85-L123 HydrophobicContact CG1-CG 3.67Å; L86-L123 PolarHBondContact O-N 2.92Å; V87-L123 WeakPolarHBondContact CA-O 3.22Å; V87-L123 HydrophobicContact CG1-CB 4.42Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.3Å; F88-L123 PolarHBondContact N-O 2.99Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; L123-N125 PolarHBondContact O-N 3.22Å; L123-F152 CarbonylContact C-O 3.43Å; L123-F152 WeakPolarHBondContact CA-O 3.28Å; L123-F152 HydrophobicContact CD2-CB 3.84Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.41Å; L123-T154 HydrophobicContact CD2-CG2 4.27Å; L123-A165 HydrophobicContact CD2-CB 3.62Å |
| 124 | G | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 95.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F88 F152 E153 T154 | F88-G124 VanDerWaalsContact CE1-CA 3.43Å; G124-F152 PolarHBondContact N-O 3.09Å; G124-E153 CarbonylContact O-C 3.57Å; G124-E153 WeakPolarHBondContact O-CA 3Å; G124-T154 PolarHBondContact O-N 3.2Å |
| 125 | N | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 166.4 | -173 | -170.5 | 36.5 | 0 | 0 | 0 | 112.4 | V19 L24 V87 F88 V90 L123 T154 A156 | V19-N125 PolarHBondContact O-ND2 2.88Å; L24-N125 HydrophobicContact CD1-CB 4.21Å; V87-N125 HydrophobicContact CG1-CB 4.07Å; F88-N125 PolarHBondContact O-N 3.26Å; V90-N125 WeakPolarHBondContact CG2-O 3.48Å; V90-N125 PolarHBondContact N-O 3.33Å; L123-N125 PolarHBondContact O-N 3.22Å; N125-T154 CarbonylContact C-O 3.58Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.5Å; N125-T154 WeakPolarHBondContact CA-OG1 3.32Å; N125-T154 PolarHBondContact OD1-O 3.29Å; N125-T154 PolarHBondContact OD1-OG1 2.96Å; N125-A156 PolarHBondContact OD1-N 2.67Å |
| 126 | K | 98.5 | Very high | 97.2 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | trans | 69 | 36.4 | 178.2 | -45.4 | -168.5 | -163.2 | 166.2 | 0 | 114.5 | G18 V19 D89 D128 L129 T154 | G18-K126 VanDerWaalsContact O-CE 3.28Å; G18-K126 WeakPolarHBondContact O-CE 3.33Å; G18-K126 PolarHBondContact O-NZ 3.46Å; V19-K126 WeakPolarHBondContact O-CE 3.4Å; D89-K126 VanDerWaalsContact OD2-CD 3.26Å; D89-K126 WeakPolarHBondContact OD2-CD 3.42Å; D89-K126 WeakPolarHBondContact OD2-CE 3.43Å; D89-K126 IonicContact OD2-NZ 2.69Å; D89-K126 PolarHBondContact OD2-NZ 2.8Å; K126-D128 WeakPolarHBondContact CA-OD1 3.36Å; K126-D128 PolarHBondContact O-N 3.42Å; K126-L129 HydrophobicContact CB-CD1 3.95Å; K126-L129 HydrophobicContact CB-CG 4.26Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.16Å; K126-T154 PolarHBondContact N-O 2.94Å | ||
| 127 | I | 98.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.2 | 175.8 | 69.5 | 179 | 0 | 0 | 0 | 114 | V90 L129 E153 T154 I160 | V90-I127 HydrophobicContact CG1-CG2 4.07Å; V90-I127 HydrophobicContact CG2-CG2 4.18Å; I127-L129 PolarHBondContact O-N 2.87Å; I127-E153 HydrophobicContact CD1-CB 4.15Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.3Å; I127-T154 WeakPolarHBondContact CG1-O 3.48Å; I127-T154 PolarHBondContact N-O 3.48Å; I127-I160 HydrophobicContact CD1-CB 4.34Å; I127-I160 HydrophobicContact CD1-CG2 3.84Å |
| 128 | D | 98.1 | Very high | 97.8 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.7 | 171.4 | 56.4 | -78.4 | 0 | 0 | 0 | 113.5 | K126 S155 K157 E158 | K126-D128 WeakPolarHBondContact CA-OD1 3.36Å; K126-D128 PolarHBondContact O-N 3.42Å; D128-S155 VanDerWaalsContact CG-OG 3.24Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 3.36Å; D128-S155 PolarHBondContact OD1-OG 3.44Å; D128-K157 WeakPolarHBondContact OD2-CD 3.44Å; D128-E158 HydrophobicContact CB-CG 3.74Å |
| 129 | L | 97.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -91.8 | 135.7 | 177.5 | -58.3 | -179.4 | 0 | 0 | 0 | 111.4 | T91 K126 I127 N131 | T91-L129 HydrophobicContact CG2-CB 3.68Å; T91-L129 HydrophobicContact CG2-CD1 3.89Å; T91-L129 HydrophobicContact CG2-CG 4.41Å; K126-L129 HydrophobicContact CB-CD1 3.95Å; K126-L129 HydrophobicContact CB-CG 4.26Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.16Å; I127-L129 PolarHBondContact O-N 2.87Å; L129-N131 PolarHBondContact O-N 3.1Å |
| 130 | E | 90.6 | Very high | 97.8 | Very high | 192 Ų | 192 | 61 Ų | 61 | 90% | 0.897 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -70.9 | -29 | -175.3 | -62.5 | -177.9 | 169.5 | 0 | 0 | 113.8 | R132 | E130-R132 PolarHBondContact O-N 3.06Š|
| 131 | N | 94.3 | Very high | 97.8 | Very high | 131 Ų | 131 | 63.6 Ų | 63.6 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | trans | -83.3 | 51.1 | -175.1 | -68.3 | -38.2 | 0 | 0 | 0 | 113.3 | T91 L129 Q133 | T91-N131 WeakPolarHBondContact CB-O 3.32Å; L129-N131 PolarHBondContact O-N 3.1Å; N131-Q133 PolarHBondContact O-N 3.33Å | ||
| 132 | R | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 65 Ų | 65 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | trans | -60.9 | 132.7 | 174.9 | 170.9 | 177 | -79.4 | -166.4 | -4.7 | 110.6 | V90 E130 V134 T136 E153 | V90-R132 HydrophobicContact CB-CG 4.49Å; E130-R132 PolarHBondContact O-N 3.06Å; R132-V134 WeakPolarHBondContact CD-O 3.49Å; R132-V134 VanDerWaalsContact CG-O 3.28Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; R132-T136 PolarHBondContact NH1-OG1 3.06Å; R132-E153 IonicContact CZ-OE1 3.06Å; R132-E153 IonicContact CZ-OE2 2.72Å; R132-E153 IonicContact NH1-OE1 2.67Å; R132-E153 PolarHBondContact NH1-OE1 2.97Å; R132-E153 VanDerWaalsContact NH1-OE1 3.07Å; R132-E153 IonicContact NH1-OE2 3.34Å; R132-E153 PolarHBondContact NH1-OE2 3.34Å; R132-E153 IonicContact NH2-OE1 3.07Å; R132-E153 PolarHBondContact NH2-OE1 3.17Å; R132-E153 IonicContact NH2-OE2 3.3Å; R132-E153 PolarHBondContact NH2-OE2 3.03Å | ||
| 133 | Q | 98.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | trans | -122.9 | -14.9 | 176.8 | -60 | -168.6 | 37.4 | 0 | 0 | 113.6 | V90 T91 P93 N131 | V90-Q133 PolarHBondContact O-N 3.12Å; T91-Q133 PolarHBondContact O-NE2 3.47Å; T91-Q133 VanDerWaalsContact O-NE2 3.16Å; P93-Q133 HydrophobicContact CG-CB 3.43Å; P93-Q133 VanDerWaalsContact CG-CB 3.43Å; P93-Q133 HydrophobicContact CG-CG 4.37Å; N131-Q133 PolarHBondContact O-N 3.33Å | ||
| 134 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -105.4 | 118.2 | 172.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | F88 V90 P93 F96 R132 A139 | F88-V134 HydrophobicContact CD2-CG2 4.49Å; F88-V134 HydrophobicContact CE2-CB 3.91Å; F88-V134 HydrophobicContact CE2-CG1 3.73Å; F88-V134 HydrophobicContact CE2-CG2 4.15Å; F88-V134 HydrophobicContact CZ-CG1 4.15Å; V90-V134 PolarHBondContact O-N 3Å; P93-V134 HydrophobicContact CB-CG2 4.29Å; P93-V134 HydrophobicContact CG-CG2 4.4Å; F96-V134 HydrophobicContact CB-CG1 4.36Å; F96-V134 HydrophobicContact CB-CG2 4Å; F96-V134 HydrophobicContact CD1-CG1 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.11Å; F96-V134 HydrophobicContact CG-CG1 3.98Å; F96-V134 HydrophobicContact CG-CG2 4.47Å; R132-V134 WeakPolarHBondContact CD-O 3.49Å; R132-V134 VanDerWaalsContact CG-O 3.28Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; V134-A139 HydrophobicContact CG1-CB 4.5Å |
| 135 | T | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | trans | -77.5 | 146.1 | 179.7 | 64 | 0 | 0 | 0 | 0 | 111.2 | K137 R138 A139 | T135-K137 PolarHBondContact O-N 3.42Å; T135-R138 WeakPolarHBondContact O-CB 3.48Å; T135-R138 PolarHBondContact O-N 3.01Å; T135-R138 VanDerWaalsContact OG1-CB 3.3Å; T135-R138 WeakPolarHBondContact OG1-CB 3.11Å; T135-R138 PolarHBondContact OG1-N 3.04Å; T135-A139 PolarHBondContact O-N 3.33Å; T135-A139 VanDerWaalsContact O-N 3.11Å | ||
| 136 | T | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 79.4 Ų | 79.4 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -51.4 | -46.1 | 175 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | R132 R138 A139 Q140 Y151 E153 | R132-T136 PolarHBondContact NH1-OG1 3.06Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 3.19Å; T136-A139 PolarHBondContact O-N 2.66Å; T136-Q140 HydrophobicContact CG2-CG 4.33Å; T136-Q140 WeakPolarHBondContact O-CB 3.44Å; T136-Q140 WeakPolarHBondContact O-CG 3.29Å; T136-Q140 PolarHBondContact O-N 3.26Å; T136-Y151 HydrophobicContact CG2-CE1 4.2Å; T136-E153 VanDerWaalsContact CB-OE1 3.28Å; T136-E153 WeakPolarHBondContact CB-OE1 3.42Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.34Å; T136-E153 PolarHBondContact OG1-OE1 3.07Å |
| 137 | K | 98.4 | Very high | 97.5 | Very high | 174 Ų | 174 | 81.4 Ų | 81.4 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.3 | -40.9 | 178.8 | -175.2 | 178.1 | -179.4 | 179.1 | 0 | 112.3 | T135 A141 | T135-K137 PolarHBondContact O-N 3.42Å; K137-A141 VanDerWaalsContact O-CB 3.3Å; K137-A141 WeakPolarHBondContact O-CB 3.12Å; K137-A141 PolarHBondContact O-N 3.17Å |
| 138 | R | 98.3 | Very high | 97.3 | Very high | 111 Ų | 111 | 84.6 Ų | 84.6 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 178.5 | 178.5 | 179.9 | 176.1 | 175 | 0.9 | 111.2 | F96 T135 T136 A141 W142 | F96-R138 HydrophobicContact CE1-CG 4.02Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; T135-R138 WeakPolarHBondContact O-CB 3.48Å; T135-R138 PolarHBondContact O-N 3.01Å; T135-R138 VanDerWaalsContact OG1-CB 3.3Å; T135-R138 WeakPolarHBondContact OG1-CB 3.11Å; T135-R138 PolarHBondContact OG1-N 3.04Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 3.19Å; R138-A141 PolarHBondContact O-N 3.07Å; R138-W142 PolarHBondContact O-N 2.84Å |
| 139 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | F88 F96 V134 T135 T136 A141 W142 C143 Y151 | F88-A139 HydrophobicContact CE1-CB 4.37Å; F88-A139 HydrophobicContact CZ-CB 3.91Å; F96-A139 HydrophobicContact CE2-CB 3.86Å; F96-A139 HydrophobicContact CZ-CB 4.36Å; V134-A139 HydrophobicContact CG1-CB 4.5Å; T135-A139 PolarHBondContact O-N 3.33Å; T135-A139 VanDerWaalsContact O-N 3.11Å; T136-A139 PolarHBondContact O-N 2.66Å; A139-A141 PolarHBondContact O-N 3.43Å; A139-W142 PolarHBondContact O-N 3.01Å; A139-C143 PolarHBondContact O-N 3.38Å; A139-C143 PolarHBondContact O-SG 3.08Å; A139-Y151 HydrophobicContact CB-CD1 4.41Å; A139-Y151 HydrophobicContact CB-CD2 4.49Å; A139-Y151 HydrophobicContact CB-CE1 3.77Å; A139-Y151 HydrophobicContact CB-CE2 3.91Å; A139-Y151 VanDerWaalsContact CB-CZ 3.48Å |
| 140 | Q | 98.5 | Very high | 97.4 | Very high | 105 Ų | 105 | 81.5 Ų | 81.5 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176 | -74.1 | 175.6 | -25.1 | 0 | 0 | 112.6 | T136 W142 C143 Y144 Y151 | T136-Q140 HydrophobicContact CG2-CG 4.33Å; T136-Q140 WeakPolarHBondContact O-CB 3.44Å; T136-Q140 WeakPolarHBondContact O-CG 3.29Å; T136-Q140 PolarHBondContact O-N 3.26Å; Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 3.16Å; Q140-C143 PolarHBondContact O-N 3.2Å; Q140-Y144 WeakPolarHBondContact O-CB 3.43Å; Q140-Y144 PolarHBondContact O-N 3.22Å; Q140-Y151 HydrophobicContact CG-CD1 3.6Å; Q140-Y151 HydrophobicContact CG-CE1 4.17Å |
| 141 | A | 98.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 74 Ų | 74 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K137 R138 A139 Y144 S145 | K137-A141 VanDerWaalsContact O-CB 3.3Å; K137-A141 WeakPolarHBondContact O-CB 3.12Å; K137-A141 PolarHBondContact O-N 3.17Å; R138-A141 PolarHBondContact O-N 3.07Å; A139-A141 PolarHBondContact O-N 3.43Å; A141-Y144 PolarHBondContact O-N 3.41Å; A141-S145 PolarHBondContact O-N 3.3Å |
| 142 | W | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 174 | -176.1 | 93.2 | 0 | 0 | 0 | 111.2 | L86 F96 L99 D100 V122 R138 A139 Q140 Y144 S145 K146 I149 | L86-W142 HydrophobicContact CD1-CH2 3.95Å; L86-W142 HydrophobicContact CD1-CZ3 4.47Å; F96-W142 HydrophobicContact CE2-CB 4.42Å; F96-W142 HydrophobicContact CZ-CB 3.66Å; F96-W142 AromaticContact CZ-CG 3.97Å; F96-W142 HydrophobicContact CZ-CG 3.97Å; L99-W142 HydrophobicContact CB-CH2 3.93Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.44Å; D100-W142 PolarHBondContact OD1-NE1 3.32Å; D100-W142 PolarHBondContact OD2-NE1 2.85Å; V122-W142 HydrophobicContact CG2-CE3 4.38Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; R138-W142 PolarHBondContact O-N 2.84Å; A139-W142 PolarHBondContact O-N 3.01Å; Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 3.16Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 3.27Å; W142-S145 PolarHBondContact O-N 3.18Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 2.82Å; W142-K146 HydrophobicContact CD2-CG 4.08Å; W142-K146 HydrophobicContact CE3-CG 4.21Å; W142-K146 HydrophobicContact CH2-CG 4.12Å; W142-K146 HydrophobicContact CZ2-CD 4.45Å; W142-K146 HydrophobicContact CZ2-CG 4Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CG 3.45Å; W142-K146 PolarHBondContact O-N 2.95Å; W142-I149 HydrophobicContact CH2-CD1 4.42Å; W142-I149 HydrophobicContact CZ3-CD1 3.96Å |
| 143 | C | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -40.5 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | A139 Q140 K146 N148 I149 | A139-C143 PolarHBondContact O-N 3.38Å; A139-C143 PolarHBondContact O-SG 3.08Å; Q140-C143 PolarHBondContact O-N 3.2Å; C143-K146 PolarHBondContact O-N 2.86Å; C143-N148 WeakPolarHBondContact O-CA 3.45Å; C143-N148 PolarHBondContact O-N 2.58Å; C143-I149 HydrophobicContact CB-CB 4.15Å; C143-I149 WeakPolarHBondContact CB-O 3.31Å; C143-I149 PolarHBondContact O-N 2.8Å |
| 144 | Y | 98.2 | Very high | 98.1 | Very high | 174 Ų | 174 | 61.4 Ų | 61.4 | 68% | 0.682 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60 | -45 | 174.2 | -172.3 | -96.9 | 0 | 0 | 0 | 112 | Q140 A141 W142 K146 N148 | Q140-Y144 WeakPolarHBondContact O-CB 3.43Å; Q140-Y144 PolarHBondContact O-N 3.22Å; A141-Y144 PolarHBondContact O-N 3.41Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 3.27Å; Y144-K146 PolarHBondContact O-N 2.78Å; Y144-K146 VanDerWaalsContact O-N 3.12Å; Y144-N148 PolarHBondContact O-N 3.3Å |
| 145 | S | 97.8 | Very high | 98.1 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.5 | -15 | 178.5 | 75.9 | 0 | 0 | 0 | 0 | 114.4 | A141 W142 | A141-S145 PolarHBondContact O-N 3.3Å; W142-S145 PolarHBondContact O-N 3.18Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 2.82Å |
| 146 | K | 96.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 37.5 | -174.6 | -64.4 | -64 | -174.7 | 171.8 | 0 | 112.7 | D100 R103 W142 C143 Y144 I149 | D100-K146 WeakPolarHBondContact OD1-CE 3.26Å; D100-K146 IonicContact OD1-NZ 2.68Å; D100-K146 PolarHBondContact OD1-NZ 2.87Å; R103-K146 PolarHBondContact NH1-O 2.98Å; W142-K146 HydrophobicContact CD2-CG 4.08Å; W142-K146 HydrophobicContact CE3-CG 4.21Å; W142-K146 HydrophobicContact CH2-CG 4.12Å; W142-K146 HydrophobicContact CZ2-CD 4.45Å; W142-K146 HydrophobicContact CZ2-CG 4Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CG 3.45Å; W142-K146 PolarHBondContact O-N 2.95Å; C143-K146 PolarHBondContact O-N 2.86Å; Y144-K146 PolarHBondContact O-N 2.78Å; Y144-K146 VanDerWaalsContact O-N 3.12Å; K146-I149 HydrophobicContact CB-CD1 3.53Å; K146-I149 HydrophobicContact CB-CG1 3.95Å; K146-I149 HydrophobicContact CG-CD1 4.48Å; K146-I149 WeakPolarHBondContact O-CG1 3.4Å |
| 147 | N | 95.2 | Very high | 98.1 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 43.4 | -174.6 | -159.2 | 26.2 | 0 | 0 | 0 | 113.5 | E116 N117 I149 | E116-N147 PolarHBondContact O-ND2 3.46Å; N117-N147 PolarHBondContact OD1-ND2 3.02Å; N147-I149 PolarHBondContact O-N 3.07Å |
| 148 | N | 96.3 | Very high | 98.1 | Very high | 110 Ų | 110 | 56.7 Ų | 56.7 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 54.3 | 48.1 | 174.9 | -164.9 | 44 | 0 | 0 | 0 | 114.4 | C143 Y144 | C143-N148 WeakPolarHBondContact O-CA 3.45Å; C143-N148 PolarHBondContact O-N 2.58Å; Y144-N148 PolarHBondContact O-N 3.3Å |
| 149 | I | 98.3 | Very high | 98.1 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | trans | -58.6 | 133.6 | 177.7 | -54 | 178 | 0 | 0 | 0 | 110 | F120 V122 W142 C143 K146 N147 Y151 | F120-I149 HydrophobicContact CB-CD1 3.89Å; F120-I149 HydrophobicContact CB-CG1 4.2Å; F120-I149 HydrophobicContact CB-CG2 3.73Å; F120-I149 HydrophobicContact CG-CD1 4.48Å; F120-I149 WeakPolarHBondContact O-CG2 3.31Å; V122-I149 HydrophobicContact CG2-CD1 4.45Å; V122-I149 HydrophobicContact CG2-CG2 3.86Å; W142-I149 HydrophobicContact CH2-CD1 4.42Å; W142-I149 HydrophobicContact CZ3-CD1 3.96Å; C143-I149 HydrophobicContact CB-CB 4.15Å; C143-I149 WeakPolarHBondContact CB-O 3.31Å; C143-I149 PolarHBondContact O-N 2.8Å; K146-I149 HydrophobicContact CB-CD1 3.53Å; K146-I149 HydrophobicContact CB-CG1 3.95Å; K146-I149 HydrophobicContact CG-CD1 4.48Å; K146-I149 WeakPolarHBondContact O-CG1 3.4Å; N147-I149 PolarHBondContact O-N 3.07Å; I149-Y151 PolarHBondContact O-N 2.8Å | ||
| 150 | P | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | trans | -59 | 133.5 | 170.4 | -25 | 34.8 | 0 | 0 | 0 | 112.5 | F120 V121 V122 F152 T168 | F120-P150 WeakPolarHBondContact O-CD 3.3Å; V121-P150 HydrophobicContact CG2-CB 4.43Å; V122-P150 PolarHBondContact N-O 2.99Å; P150-F152 HydrophobicContact CB-CE2 4.09Å; P150-T168 HydrophobicContact CB-CG2 4.21Å; P150-T168 HydrophobicContact CG-CG2 4.39Å | ||
| 151 | Y | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.7 | -179.8 | 175.2 | -122.2 | 0 | 0 | 0 | 111.7 | F88 V122 T136 A139 Q140 I149 E153 | F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CZ-CE2 4.02Å; V122-Y151 HydrophobicContact CB-CD2 3.98Å; V122-Y151 HydrophobicContact CG1-CD2 3.77Å; V122-Y151 HydrophobicContact CG1-CE2 4.12Å; V122-Y151 WeakPolarHBondContact O-CA 3.44Å; V122-Y151 WeakPolarHBondContact O-CD2 3.33Å; T136-Y151 HydrophobicContact CG2-CE1 4.2Å; A139-Y151 HydrophobicContact CB-CD1 4.41Å; A139-Y151 HydrophobicContact CB-CD2 4.49Å; A139-Y151 HydrophobicContact CB-CE1 3.77Å; A139-Y151 HydrophobicContact CB-CE2 3.91Å; A139-Y151 VanDerWaalsContact CB-CZ 3.48Å; Q140-Y151 HydrophobicContact CG-CD1 3.6Å; Q140-Y151 HydrophobicContact CG-CE1 4.17Å; I149-Y151 PolarHBondContact O-N 2.8Å; Y151-E153 HydrophobicContact CE1-CG 3.78Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.38Å; Y151-E153 PolarHBondContact OH-OE1 3.11Å |
| 152 | F | 98.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 18% | 0.18 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.4 | 174 | -62.6 | -93.7 | 0 | 0 | 0 | 111 | V121 V122 L123 G124 P150 T154 Q164 A165 T168 | V121-F152 HydrophobicContact CG1-CD2 3.83Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V122-F152 PolarHBondContact O-N 3.25Å; L123-F152 CarbonylContact C-O 3.43Å; L123-F152 WeakPolarHBondContact CA-O 3.28Å; L123-F152 HydrophobicContact CD2-CB 3.84Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.41Å; G124-F152 PolarHBondContact N-O 3.09Å; P150-F152 HydrophobicContact CB-CE2 4.09Å; F152-T154 HydrophobicContact CB-CG2 4.09Å; F152-Q164 HydrophobicContact CE1-CB 4.43Å; F152-A165 HydrophobicContact CB-CB 4.07Å; F152-A165 HydrophobicContact CD1-CB 4.24Å; F152-A165 HydrophobicContact CD2-CB 4.02Å; F152-A165 HydrophobicContact CG-CB 3.84Å; F152-T168 HydrophobicContact CE2-CG2 3.98Å; F152-T168 HydrophobicContact CZ-CG2 4.03Å; F152-T168 VanDerWaalsContact CZ-OG1 3.27Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.24Å |
| 153 | E | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.8 | 166.9 | -78.9 | -169.1 | 172.7 | 0 | 0 | 108.7 | G124 I127 R132 T136 Y151 N161 | G124-E153 CarbonylContact O-C 3.57Å; G124-E153 WeakPolarHBondContact O-CA 3Å; I127-E153 HydrophobicContact CD1-CB 4.15Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.3Å; R132-E153 IonicContact CZ-OE1 3.06Å; R132-E153 IonicContact CZ-OE2 2.72Å; R132-E153 IonicContact NH1-OE1 2.67Å; R132-E153 PolarHBondContact NH1-OE1 2.97Å; R132-E153 VanDerWaalsContact NH1-OE1 3.07Å; R132-E153 IonicContact NH1-OE2 3.34Å; R132-E153 PolarHBondContact NH1-OE2 3.34Å; R132-E153 IonicContact NH2-OE1 3.07Å; R132-E153 PolarHBondContact NH2-OE1 3.17Å; R132-E153 IonicContact NH2-OE2 3.3Å; R132-E153 PolarHBondContact NH2-OE2 3.03Å; T136-E153 VanDerWaalsContact CB-OE1 3.28Å; T136-E153 WeakPolarHBondContact CB-OE1 3.42Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.34Å; T136-E153 PolarHBondContact OG1-OE1 3.07Å; Y151-E153 HydrophobicContact CE1-CG 3.78Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.38Å; Y151-E153 PolarHBondContact OH-OE1 3.11Å; E153-N161 VanDerWaalsContact O-CB 3.24Å; E153-N161 WeakPolarHBondContact O-CB 3.42Å; E153-N161 PolarHBondContact O-ND2 3.12Å |
| 154 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.3 | -170 | 58.5 | 0 | 0 | 0 | 0 | 113 | L123 G124 N125 K126 I127 F152 I160 N161 A165 | L123-T154 HydrophobicContact CD2-CG2 4.27Å; G124-T154 PolarHBondContact O-N 3.2Å; N125-T154 CarbonylContact C-O 3.58Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.5Å; N125-T154 WeakPolarHBondContact CA-OG1 3.32Å; N125-T154 PolarHBondContact OD1-O 3.29Å; N125-T154 PolarHBondContact OD1-OG1 2.96Å; K126-T154 PolarHBondContact N-O 2.94Å; I127-T154 WeakPolarHBondContact CG1-O 3.48Å; I127-T154 PolarHBondContact N-O 3.48Å; F152-T154 HydrophobicContact CB-CG2 4.09Å; T154-I160 VanDerWaalsContact CA-O 3.31Å; T154-I160 WeakPolarHBondContact CA-O 3.47Å; T154-N161 HydrophobicContact CG2-CB 4.08Å; T154-A165 HydrophobicContact CG2-CB 4.34Å |
| 155 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 111.6 | 161.6 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | D128 K157 E158 A159 I160 | D128-S155 VanDerWaalsContact CG-OG 3.24Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 3.36Å; D128-S155 PolarHBondContact OD1-OG 3.44Å; S155-K157 PolarHBondContact O-N 2.85Å; S155-K157 PolarHBondContact OG-N 2.91Å; S155-E158 PolarHBondContact OG-N 3.31Å; S155-A159 CarbonylContact O-C 3.56Å; S155-A159 VanDerWaalsContact O-CA 3.26Å; S155-A159 WeakPolarHBondContact O-CA 3.43Å; S155-A159 PolarHBondContact O-N 2.82Å; S155-I160 PolarHBondContact N-O 3.37Å; S155-I160 PolarHBondContact O-N 3.1Å |
| 156 | A | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 Q27 F33 N125 | L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.04Å; Q27-A156 VanDerWaalsContact CG-O 3.28Å; Q27-A156 WeakPolarHBondContact CG-O 3.38Å; Q27-A156 PolarHBondContact NE2-O 3.47Å; F33-A156 HydrophobicContact CD2-CB 4.28Å; F33-A156 HydrophobicContact CE2-CB 4.4Å; N125-A156 PolarHBondContact OD1-N 2.67Å |
| 157 | K | 98 | Very high | 98.2 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -51.4 | -178.2 | -178.9 | -174.7 | 171.6 | -163.7 | 0 | 111.7 | F33 D128 S155 | F33-K157 HydrophobicContact CD1-CB 4.26Å; F33-K157 HydrophobicContact CD1-CG 4.02Å; F33-K157 HydrophobicContact CD2-CB 4.3Å; F33-K157 HydrophobicContact CE1-CB 3.92Å; F33-K157 HydrophobicContact CE1-CD 4.35Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.98Å; F33-K157 HydrophobicContact CG-CB 4.43Å; F33-K157 HydrophobicContact CZ-CB 3.78Å; F33-K157 HydrophobicContact CZ-CG 4.02Å; D128-K157 WeakPolarHBondContact OD2-CD 3.44Å; S155-K157 PolarHBondContact O-N 2.85Å; S155-K157 PolarHBondContact OG-N 2.91Å |
| 158 | E | 98.1 | Very high | 98.4 | Very high | 108 Ų | 108 | 44.3 Ų | 44.3 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 8 | -176.1 | -56.5 | -58.5 | 150.6 | 0 | 0 | 112.7 | D128 S155 I160 | D128-E158 HydrophobicContact CB-CG 3.74Å; S155-E158 PolarHBondContact OG-N 3.31Å; E158-I160 HydrophobicContact CB-CD1 3.79Å; E158-I160 HydrophobicContact CB-CG1 3.84Å; E158-I160 PolarHBondContact O-N 3.45Å; E158-I160 VanDerWaalsContact O-N 3.16Å |
| 159 | A | 98.2 | Very high | 98.5 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 44% | 0.438 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 20.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q27 S155 N161 | Q27-A159 HydrophobicContact CG-CB 4.32Å; S155-A159 CarbonylContact O-C 3.56Å; S155-A159 VanDerWaalsContact O-CA 3.26Å; S155-A159 WeakPolarHBondContact O-CA 3.43Å; S155-A159 PolarHBondContact O-N 2.82Å; A159-N161 PolarHBondContact O-N 3.02Å |
| 160 | I | 98.8 | Very high | 98.5 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 35% | 0.354 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -74.2 | 127.1 | -175.8 | -56.9 | 168.2 | 0 | 0 | 0 | 110 | I127 T154 S155 E158 V162 | I127-I160 HydrophobicContact CD1-CB 4.34Å; I127-I160 HydrophobicContact CD1-CG2 3.84Å; T154-I160 VanDerWaalsContact CA-O 3.31Å; T154-I160 WeakPolarHBondContact CA-O 3.47Å; S155-I160 PolarHBondContact N-O 3.37Å; S155-I160 PolarHBondContact O-N 3.1Å; E158-I160 HydrophobicContact CB-CD1 3.79Å; E158-I160 HydrophobicContact CB-CG1 3.84Å; E158-I160 PolarHBondContact O-N 3.45Å; E158-I160 VanDerWaalsContact O-N 3.16Å; I160-V162 PolarHBondContact O-N 3.3Å |
| 161 | N | 98.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 8.2 | 177.2 | -68.4 | -29.4 | 0 | 0 | 0 | 116.3 | E153 T154 A159 Q164 A165 | E153-N161 VanDerWaalsContact O-CB 3.24Å; E153-N161 WeakPolarHBondContact O-CB 3.42Å; E153-N161 PolarHBondContact O-ND2 3.12Å; T154-N161 HydrophobicContact CG2-CB 4.08Å; A159-N161 PolarHBondContact O-N 3.02Å; N161-Q164 VanDerWaalsContact CA-OE1 3.24Å; N161-A165 VanDerWaalsContact O-CB 3.25Å; N161-A165 WeakPolarHBondContact O-CB 3.45Å; N161-A165 PolarHBondContact O-N 3.34Å |
| 162 | V | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -48.9 | -178.7 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | L24 Q27 Y28 I160 A165 F166 | L24-V162 HydrophobicContact CD2-CG2 4.01Å; Q27-V162 HydrophobicContact CG-CG1 4.36Å; Q27-V162 HydrophobicContact CG-CG2 4.24Å; Y28-V162 HydrophobicContact CD2-CG1 4.49Å; I160-V162 PolarHBondContact O-N 3.3Å; V162-A165 PolarHBondContact O-N 2.64Å; V162-F166 HydrophobicContact CG1-CD2 4.03Å; V162-F166 HydrophobicContact CG1-CE2 4.19Å; V162-F166 VanDerWaalsContact O-CD2 3.32Å; V162-F166 WeakPolarHBondContact O-CD2 3.47Å; V162-F166 PolarHBondContact O-N 3.42Å; V162-F166 VanDerWaalsContact O-N 3.1Å |
| 163 | E | 97.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -43.5 | -178.3 | -161.3 | 69.8 | -152 | 0 | 0 | 111.7 | Y28 K31 K48 A165 F166 Q167 | Y28-E163 WeakPolarHBondContact CE2-OE1 3.28Å; K31-E163 IonicContact NZ-OE2 3.92Å; K31-E163 PolarHBondContact NZ-OE2 3.28Å; K48-E163 IonicContact NZ-OE1 3.48Å; K48-E163 PolarHBondContact NZ-OE1 3.26Å; K48-E163 IonicContact NZ-OE2 3.46Å; E163-A165 PolarHBondContact O-N 2.94Å; E163-F166 PolarHBondContact O-N 2.92Å; E163-Q167 WeakPolarHBondContact O-CG 3.19Å; E163-Q167 PolarHBondContact O-N 3.45Å |
| 164 | Q | 98.3 | Very high | 98.2 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 179.9 | -63.6 | 87 | -24.4 | 0 | 0 | 111.8 | F152 N161 T168 | F152-Q164 HydrophobicContact CE1-CB 4.43Å; N161-Q164 VanDerWaalsContact CA-OE1 3.24Å; Q164-T168 PolarHBondContact O-N 3.41Å; Q164-T168 PolarHBondContact O-OG1 3.3Å; Q164-T168 VanDerWaalsContact O-OG1 3.08Å |
| 165 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -50.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L123 F152 T154 N161 V162 E163 Q167 T168 I169 | L123-A165 HydrophobicContact CD2-CB 3.62Å; F152-A165 HydrophobicContact CB-CB 4.07Å; F152-A165 HydrophobicContact CD1-CB 4.24Å; F152-A165 HydrophobicContact CD2-CB 4.02Å; F152-A165 HydrophobicContact CG-CB 3.84Å; T154-A165 HydrophobicContact CG2-CB 4.34Å; N161-A165 VanDerWaalsContact O-CB 3.25Å; N161-A165 WeakPolarHBondContact O-CB 3.45Å; N161-A165 PolarHBondContact O-N 3.34Å; V162-A165 PolarHBondContact O-N 2.64Å; E163-A165 PolarHBondContact O-N 2.94Å; A165-Q167 PolarHBondContact O-N 3.45Å; A165-T168 WeakPolarHBondContact O-CB 3.27Å; A165-T168 PolarHBondContact O-N 3.37Å; A165-T168 VanDerWaalsContact O-N 3.13Å; A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.26Å; A165-I169 PolarHBondContact O-N 2.69Å |
| 166 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -28.9 | -178.5 | -84.9 | -88.7 | 0 | 0 | 0 | 113.8 | I13 L24 Y28 M59 I61 V162 E163 I169 A170 | I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.05Å; L24-F166 HydrophobicContact CB-CE2 4.47Å; Y28-F166 HydrophobicContact CD1-CB 4.02Å; Y28-F166 AromaticContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD1 3.45Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD2 4.11Å; Y28-F166 AromaticContact CD1-CE1 3.86Å; Y28-F166 HydrophobicContact CD1-CE1 3.86Å; Y28-F166 HydrophobicContact CD1-CE2 4.46Å; Y28-F166 AromaticContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.52Å; Y28-F166 HydrophobicContact CD2-CD1 4.4Å; Y28-F166 AromaticContact CD2-CD2 3.87Å; Y28-F166 HydrophobicContact CD2-CD2 3.87Å; Y28-F166 AromaticContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CE1-CB 3.78Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.36Å; Y28-F166 AromaticContact CE1-CG 3.79Å; Y28-F166 HydrophobicContact CE1-CG 3.79Å; Y28-F166 HydrophobicContact CE2-CB 3.26Å; Y28-F166 HydrophobicContact CE2-CD2 4.5Å; Y28-F166 AromaticContact CE2-CG 3.9Å; Y28-F166 HydrophobicContact CE2-CG 3.9Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.88Å; Y28-F166 HydrophobicContact CG-CD1 3.88Å; Y28-F166 AromaticContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CE1 4.31Å; Y28-F166 HydrophobicContact CG-CE2 4.09Å; 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 3.94Å; M59-F166 HydrophobicContact CE-CD1 4.21Å; I61-F166 HydrophobicContact CD1-CD1 4.12Å; I61-F166 HydrophobicContact CD1-CE1 3.82Å; I61-F166 HydrophobicContact CG1-CE1 4.4Å; I61-F166 HydrophobicContact CG2-CE1 4.07Å; V162-F166 HydrophobicContact CG1-CD2 4.03Å; V162-F166 HydrophobicContact CG1-CE2 4.19Å; V162-F166 VanDerWaalsContact O-CD2 3.32Å; V162-F166 WeakPolarHBondContact O-CD2 3.47Å; V162-F166 PolarHBondContact O-N 3.42Å; V162-F166 VanDerWaalsContact O-N 3.1Å; E163-F166 PolarHBondContact O-N 2.92Å; F166-I169 HydrophobicContact CD1-CD1 4.19Å; F166-I169 HydrophobicContact CE1-CD1 4.49Å; F166-I169 HydrophobicContact CG-CD1 4.26Å; F166-I169 PolarHBondContact O-N 3.25Å; F166-A170 WeakPolarHBondContact O-CB 3.4Å; F166-A170 PolarHBondContact O-N 3.06Å |
| 167 | Q | 98.1 | Very high | 97.4 | Very high | 86 Ų | 86 | 47 Ų | 47 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 169.1 | -77.7 | -170.4 | 7.9 | 0 | 0 | 112.1 | E163 A165 A170 R171 | E163-Q167 WeakPolarHBondContact O-CG 3.19Å; E163-Q167 PolarHBondContact O-N 3.45Å; A165-Q167 PolarHBondContact O-N 3.45Å; Q167-A170 PolarHBondContact O-N 2.9Å; Q167-R171 WeakPolarHBondContact O-CB 3.43Å; Q167-R171 PolarHBondContact O-N 2.98Å |
| 168 | T | 98.4 | Very high | 97 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | P150 F152 Q164 A165 A170 R171 N172 | P150-T168 HydrophobicContact CB-CG2 4.21Å; P150-T168 HydrophobicContact CG-CG2 4.39Å; F152-T168 HydrophobicContact CE2-CG2 3.98Å; F152-T168 HydrophobicContact CZ-CG2 4.03Å; F152-T168 VanDerWaalsContact CZ-OG1 3.27Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.24Å; Q164-T168 PolarHBondContact O-N 3.41Å; Q164-T168 PolarHBondContact O-OG1 3.3Å; Q164-T168 VanDerWaalsContact O-OG1 3.08Å; A165-T168 WeakPolarHBondContact O-CB 3.27Å; A165-T168 PolarHBondContact O-N 3.37Å; A165-T168 VanDerWaalsContact O-N 3.13Å; T168-A170 PolarHBondContact O-N 3Å; T168-R171 PolarHBondContact O-N 3.44Å; T168-N172 WeakPolarHBondContact O-CB 3.26Å; T168-N172 VanDerWaalsContact O-CG 3.26Å; T168-N172 PolarHBondContact O-N 3.45Å; T168-N172 PolarHBondContact O-OD1 2.74Å |
| 169 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 173.5 | -68 | 159.5 | 0 | 0 | 0 | 110.6 | V11 M59 C83 V85 V121 A165 F166 R171 N172 A173 | V11-I169 HydrophobicContact CB-CG2 4.41Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.83Å; M59-I169 HydrophobicContact CE-CG2 3.92Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.1Å; V85-I169 HydrophobicContact CG2-CD1 3.47Å; V85-I169 VanDerWaalsContact CG2-CD1 3.47Å; V85-I169 HydrophobicContact CG2-CG1 3.89Å; V85-I169 HydrophobicContact CG2-CG2 4.06Å; V121-I169 HydrophobicContact CB-CD1 4.42Å; V121-I169 HydrophobicContact CB-CG1 3.78Å; V121-I169 HydrophobicContact CG1-CD1 4.32Å; V121-I169 HydrophobicContact CG1-CG1 3.96Å; V121-I169 HydrophobicContact CG2-CG1 3.66Å; A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.26Å; A165-I169 PolarHBondContact O-N 2.69Å; F166-I169 HydrophobicContact CD1-CD1 4.19Å; F166-I169 HydrophobicContact CE1-CD1 4.49Å; F166-I169 HydrophobicContact CG-CD1 4.26Å; F166-I169 PolarHBondContact O-N 3.25Å; I169-R171 PolarHBondContact O-N 2.78Å; I169-N172 PolarHBondContact O-N 3.07Å; I169-A173 VanDerWaalsContact O-CB 3.26Å; I169-A173 WeakPolarHBondContact O-CB 3.38Å; I169-A173 PolarHBondContact O-N 2.99Å |
| 170 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 V50 V52 M59 F166 Q167 T168 L174 | L9-A170 WeakPolarHBondContact CD1-O 3.23Å; V50-A170 HydrophobicContact CG1-CB 4.14Å; V52-A170 HydrophobicContact CG2-CB 3.56Å; M59-A170 HydrophobicContact CE-CB 3.86Å; M59-A170 HydrophobicContact CG-CB 4.37Å; M59-A170 HydrophobicContact SD-CB 3.61Å; F166-A170 WeakPolarHBondContact O-CB 3.4Å; F166-A170 PolarHBondContact O-N 3.06Å; Q167-A170 PolarHBondContact O-N 2.9Å; T168-A170 PolarHBondContact O-N 3Å; A170-L174 WeakPolarHBondContact O-CB 2.89Å; A170-L174 PolarHBondContact O-N 2.86Å |
| 171 | R | 98 | Very high | 95.2 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 176 | -171.6 | -179 | -64.3 | 107.4 | 1.1 | 112.2 | V52 D53 Q167 T168 I169 L174 K175 | V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.29Å; D53-R171 IonicContact OD1-NE 3.47Å; D53-R171 PolarHBondContact OD1-NE 3.29Å; D53-R171 IonicContact OD1-NH2 3.59Å; D53-R171 IonicContact OD2-NE 3.36Å; D53-R171 PolarHBondContact OD2-NE 3.34Å; Q167-R171 WeakPolarHBondContact O-CB 3.43Å; Q167-R171 PolarHBondContact O-N 2.98Å; T168-R171 PolarHBondContact O-N 3.44Å; I169-R171 PolarHBondContact O-N 2.78Å; R171-L174 PolarHBondContact O-N 3.29Å; R171-K175 PolarHBondContact O-N 2.85Å; R171-K175 VanDerWaalsContact O-N 3.09Å |
| 172 | N | 97.8 | Very high | 94.5 | Very high | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -41.2 | 179.6 | -68.5 | -2.5 | 0 | 0 | 0 | 111.6 | P119 T168 I169 K175 Q176 | P119-N172 HydrophobicContact CB-CB 3.81Å; T168-N172 WeakPolarHBondContact O-CB 3.26Å; T168-N172 VanDerWaalsContact O-CG 3.26Å; T168-N172 PolarHBondContact O-N 3.45Å; T168-N172 PolarHBondContact O-OD1 2.74Å; I169-N172 PolarHBondContact O-N 3.07Å; N172-K175 PolarHBondContact O-N 3.25Å; N172-Q176 PolarHBondContact O-N 3.38Å |
| 173 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 V11 D82 C83 I169 K175 Q176 E177 | L9-A173 HydrophobicContact CB-CB 4.1Å; L9-A173 HydrophobicContact CD1-CB 3.99Å; L9-A173 HydrophobicContact CD2-CB 4.41Å; L9-A173 HydrophobicContact CG-CB 4.4Å; V11-A173 HydrophobicContact CG2-CB 4.45Å; D82-A173 HydrophobicContact CB-CB 3.87Å; D82-A173 WeakPolarHBondContact O-CA 3.19Å; C83-A173 HydrophobicContact CB-CB 3.8Å; I169-A173 VanDerWaalsContact O-CB 3.26Å; I169-A173 WeakPolarHBondContact O-CB 3.38Å; I169-A173 PolarHBondContact O-N 2.99Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-Q176 PolarHBondContact O-N 3.01Å; A173-E177 WeakPolarHBondContact O-CB 3.31Å; A173-E177 PolarHBondContact O-N 3.27Å |
| 174 | L | 96.1 | Very high | 93 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.7 | -178.3 | 58.8 | 0 | 0 | 0 | 112 | V7 L9 V52 R55 V57 A170 R171 E177 T178 | V7-L174 HydrophobicContact CG1-CD1 3.86Å; L9-L174 HydrophobicContact CD1-CB 3.96Å; L9-L174 HydrophobicContact CD2-CB 4.42Å; L9-L174 HydrophobicContact CD2-CD1 4.28Å; V52-L174 HydrophobicContact CB-CD2 4.15Å; V52-L174 HydrophobicContact CG1-CD2 3.88Å; R55-L174 HydrophobicContact CB-CD2 4.48Å; V57-L174 HydrophobicContact CG1-CD1 4.02Å; V57-L174 HydrophobicContact CG1-CD2 4.24Å; A170-L174 WeakPolarHBondContact O-CB 2.89Å; A170-L174 PolarHBondContact O-N 2.86Å; R171-L174 PolarHBondContact O-N 3.29Å; L174-E177 PolarHBondContact O-N 3.44Å; L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 2.98Å; L174-T178 PolarHBondContact O-OG1 3.05Å |
| 175 | K | 94.8 | Very high | 92.2 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.7 | -47.8 | 175.1 | -176.5 | -176.7 | 169.7 | -169.9 | 0 | 111.1 | R171 N172 A173 T178 E179 | R171-K175 PolarHBondContact O-N 2.85Å; R171-K175 VanDerWaalsContact O-N 3.09Å; N172-K175 PolarHBondContact O-N 3.25Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 2.97Å; K175-T178 PolarHBondContact O-N 3.47Å; K175-E179 WeakPolarHBondContact CE-OE1 3.49Å; K175-E179 IonicContact NZ-OE1 2.63Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.24Å |
| 176 | Q | 93.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.8 | 177 | 63.5 | 39.7 | 0 | 0 | 112.3 | D82 F118 P119 N172 A173 T178 E179 V180 | D82-Q176 WeakPolarHBondContact O-CB 3.35Å; D82-Q176 WeakPolarHBondContact O-CG 3.22Å; F118-Q176 HydrophobicContact CE2-CG 4.49Å; P119-Q176 HydrophobicContact CG-CB 3.82Å; P119-Q176 HydrophobicContact CG-CG 4.13Å; N172-Q176 PolarHBondContact O-N 3.38Å; A173-Q176 PolarHBondContact O-N 3.01Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 3.01Å; Q176-E179 PolarHBondContact O-N 3.25Å; Q176-V180 VanDerWaalsContact O-CG2 3.32Å; Q176-V180 WeakPolarHBondContact O-CG2 3.41Å; Q176-V180 PolarHBondContact O-N 3.43Å |
| 177 | E | 91.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.1 | -174.3 | -91.9 | -178.2 | 0 | 0 | 111 | V7 L9 A173 L174 E179 V180 E181 | V7-E177 HydrophobicContact CG1-CG 4.3Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.15Å; A173-E177 WeakPolarHBondContact O-CB 3.31Å; A173-E177 PolarHBondContact O-N 3.27Å; L174-E177 PolarHBondContact O-N 3.44Å; E177-E179 PolarHBondContact O-N 3.41Å; E177-V180 PolarHBondContact O-N 3.16Å; E177-E181 WeakPolarHBondContact O-CG 3.39Å; E177-E181 PolarHBondContact O-N 2.73Å |
| 178 | T | 89.1 | Confident | 89.8 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 112 | L174 K175 Q176 E181 L182 | L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 2.98Å; L174-T178 PolarHBondContact O-OG1 3.05Å; K175-T178 PolarHBondContact O-N 3.47Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 3.01Å; T178-E181 PolarHBondContact O-N 3.5Å; T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 WeakPolarHBondContact O-CB 3.47Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 3.42Å |
| 179 | E | 87.7 | Confident | 88.8 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 175.2 | -74 | 174.5 | -175.1 | 0 | 0 | 112.2 | K175 Q176 E177 Y183 | K175-E179 WeakPolarHBondContact CE-OE1 3.49Å; K175-E179 IonicContact NZ-OE1 2.63Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.24Å; Q176-E179 PolarHBondContact O-N 3.25Å; E177-E179 PolarHBondContact O-N 3.41Å; E179-Y183 WeakPolarHBondContact O-CB 3.22Å; E179-Y183 PolarHBondContact O-N 3.19Å |
| 180 | V | 85.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | Q176 E177 Y183 N184 | Q176-V180 VanDerWaalsContact O-CG2 3.32Å; Q176-V180 WeakPolarHBondContact O-CG2 3.41Å; Q176-V180 PolarHBondContact O-N 3.43Å; E177-V180 PolarHBondContact O-N 3.16Å; V180-Y183 PolarHBondContact O-N 3.05Å; V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 3.32Å; V180-N184 PolarHBondContact O-ND2 3.27Å; V180-N184 VanDerWaalsContact O-ND2 3.12Å |
| 181 | E | 85.7 | Confident | 86.4 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.1 | -72.8 | -161.4 | 141.4 | 0 | 0 | 111.3 | K5 E177 T178 Y183 N184 E185 | K5-E181 IonicContact NZ-OE1 3.62Å; K5-E181 PolarHBondContact NZ-OE1 3.09Å; E177-E181 WeakPolarHBondContact O-CG 3.39Å; E177-E181 PolarHBondContact O-N 2.73Å; T178-E181 PolarHBondContact O-N 3.5Å; E181-Y183 VanDerWaalsContact C-N 3.28Å; E181-Y183 PolarHBondContact O-N 3Å; E181-N184 PolarHBondContact O-N 3.17Å; E181-N184 VanDerWaalsContact O-N 3.15Å; E181-E185 PolarHBondContact O-N 2.73Å; E181-E185 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 83.9 | Confident | 84.8 | Confident | 94 Ų | 94 | 90 Ų | 90 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 179 | -75.8 | 171.5 | 0 | 0 | 0 | 112.2 | T178 E185 F186 | T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 WeakPolarHBondContact O-CB 3.47Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 3.42Å; L182-E185 PolarHBondContact O-N 2.8Å; L182-F186 WeakPolarHBondContact O-CA 3.41Å; L182-F186 WeakPolarHBondContact O-CB 3.46Å; L182-F186 PolarHBondContact O-N 2.91Å |
| 183 | Y | 81 | Confident | 83.1 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 28% | 0.282 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 177.6 | 176.5 | -105.5 | 0 | 0 | 0 | 113.3 | R113 E179 V180 E181 E185 F186 P187 | R113-Y183 VanDerWaalsContact CZ-CE1 3.49Å; R113-Y183 VanDerWaalsContact NH1-CD1 3.27Å; R113-Y183 VanDerWaalsContact NH2-CZ 3.31Å; E179-Y183 WeakPolarHBondContact O-CB 3.22Å; E179-Y183 PolarHBondContact O-N 3.19Å; V180-Y183 PolarHBondContact O-N 3.05Å; E181-Y183 VanDerWaalsContact C-N 3.28Å; E181-Y183 PolarHBondContact O-N 3Å; Y183-E185 PolarHBondContact O-N 3Å; Y183-F186 CarbonylContact O-C 3.31Å; Y183-F186 VanDerWaalsContact O-C 3.31Å; Y183-F186 PolarHBondContact O-N 3.12Å; Y183-P187 HydrophobicContact CD2-CB 4.13Å; Y183-P187 HydrophobicContact CE2-CB 3.64Å; Y183-P187 WeakPolarHBondContact O-CA 3.46Å; Y183-P187 VanDerWaalsContact O-N 3.13Å |
| 184 | N | 82.7 | Confident | 81.3 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -32.5 | 178.4 | -70.2 | -30.9 | 0 | 0 | 0 | 111.5 | V180 E181 | V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 3.32Å; V180-N184 PolarHBondContact O-ND2 3.27Å; V180-N184 VanDerWaalsContact O-ND2 3.12Å; E181-N184 PolarHBondContact O-N 3.17Å; E181-N184 VanDerWaalsContact O-N 3.15Å |
| 185 | E | 82.8 | Confident | 79.3 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -82.1 | -37.9 | 174.7 | -65.9 | -176.4 | -178.5 | 0 | 0 | 112.6 | E181 L182 Y183 | E181-E185 PolarHBondContact O-N 2.73Å; E181-E185 VanDerWaalsContact O-N 3.1Å; L182-E185 PolarHBondContact O-N 2.8Å; Y183-E185 PolarHBondContact O-N 3Å |
| 186 | F | 85.2 | Confident | 77.4 | Confident | 146 Ų | 146 | 109.8 Ų | 109.8 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -137.4 | 82.6 | -173.7 | -55.5 | -77.9 | 0 | 0 | 0 | 111 | L182 Y183 E188 | L182-F186 WeakPolarHBondContact O-CA 3.41Å; L182-F186 WeakPolarHBondContact O-CB 3.46Å; L182-F186 PolarHBondContact O-N 2.91Å; Y183-F186 CarbonylContact O-C 3.31Å; Y183-F186 VanDerWaalsContact O-C 3.31Å; Y183-F186 PolarHBondContact O-N 3.12Å; F186-E188 PolarHBondContact O-N 3.41Å |
| 187 | P | 79.4 | Confident | 75.3 | Confident | 85 Ų | 85 | 119.7 Ų | 119.7 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -67 | 133 | -178.6 | 25.6 | -32.9 | 0 | 0 | 0 | 111 | Y183 | Y183-P187 HydrophobicContact CD2-CB 4.13Å; Y183-P187 HydrophobicContact CE2-CB 3.64Å; Y183-P187 WeakPolarHBondContact O-CA 3.46Å; Y183-P187 VanDerWaalsContact O-N 3.13Å |
| 188 | E | 78.4 | Confident | 73.2 | Confident | 148 Ų | 148 | 124.2 Ų | 124.2 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.8 | 175.6 | -69.7 | -165.8 | 167.3 | 0 | 0 | 111.2 | F186 I190 | F186-E188 PolarHBondContact O-N 3.41Å; E188-I190 PolarHBondContact O-N 3.32Å |
| 189 | P | 79.1 | Confident | 71 | Confident | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125.5 | 179.7 | 23.8 | -31.3 | 0 | 0 | 0 | 110.8 | K191 | P189-K191 PolarHBondContact O-N 3.17Å; P189-K191 VanDerWaalsContact O-N 3.07Å |
| 190 | I | 76.3 | Confident | 69 | Low | 149 Ų | 149 | 132.2 Ų | 132.2 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -65.3 | 109.9 | 174.3 | -58.3 | 173.6 | 0 | 0 | 0 | 108.4 | E188 L192 | E188-I190 PolarHBondContact O-N 3.32Å; I190-L192 HydrophobicContact CG2-CD2 4.41Å; I190-L192 HydrophobicContact CG2-CG 4.49Å; I190-L192 PolarHBondContact O-N 2.93Å; I190-L192 VanDerWaalsContact O-N 3.12Å | ||
| 191 | K | 70 | Confident | 67.1 | Low | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 69% | 0.685 | S | S | * | * | trans | -74.9 | 99.5 | 170.6 | -67.4 | -176.5 | -177.2 | 175.2 | 0 | 108.5 | P189 D193 | P189-K191 PolarHBondContact O-N 3.17Å; P189-K191 VanDerWaalsContact O-N 3.07Å; K191-D193 PolarHBondContact O-N 3.09Å; K191-D193 VanDerWaalsContact O-N 3.17Å | ||
| 192 | L | 64.6 | Low | 65.2 | Low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | trans | -72.7 | 101.9 | 168.6 | -70.2 | 169.4 | 0 | 0 | 0 | 108.6 | I190 K194 | I190-L192 HydrophobicContact CG2-CD2 4.41Å; I190-L192 HydrophobicContact CG2-CG 4.49Å; I190-L192 PolarHBondContact O-N 2.93Å; I190-L192 VanDerWaalsContact O-N 3.12Å; L192-K194 PolarHBondContact O-N 3.18Å | ||
| 193 | D | 61.4 | Low | 63.5 | Low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -72.6 | 124.4 | 173.9 | -139.7 | -14.9 | 0 | 0 | 0 | 109.2 | K191 N195 | K191-D193 PolarHBondContact O-N 3.09Å; K191-D193 VanDerWaalsContact O-N 3.17Å; D193-N195 PolarHBondContact O-N 3.13Å | ||
| 194 | K | 59 | Low | 61.9 | Low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -72.6 | 3.9 | -170.6 | -78 | -176.9 | 177.4 | 177.4 | 0 | 114.2 | L192 | L192-K194 PolarHBondContact O-N 3.18Š|
| 195 | N | 54.4 | Low | 60.2 | Low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -88.5 | -9.5 | -173.2 | -89.3 | -8.9 | 0 | 0 | 0 | 115.7 | D193 R197 | D193-N195 PolarHBondContact O-N 3.13Å; N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 3.04Å |
| 196 | D | 54.5 | Low | 58.4 | Low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -80.6 | -3.3 | 179.7 | -81.1 | -26.4 | 0 | 0 | 0 | 114.8 | ||
| 197 | R | 49.3 | Very low | 56.9 | Low | 231 Ų | 231 | 145.8 Ų | 145.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -84.8 | -5.9 | 179.3 | -77.7 | -170.2 | 177.6 | -169.3 | -0.8 | 115.4 | N195 | N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 3.04Å |
| 198 | V | 47.4 | Very low | 55.7 | Low | 116 Ų | 116 | 148.9 Ų | 148.9 | 70% | 0.703 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -93.9 | -10.1 | -172 | -172.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 199 | K | 43.6 | Very low | 54.5 | Low | 209 Ų | 209 | 148.9 Ų | 148.9 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -93.5 | -0.2 | -178.1 | -79.8 | -171.1 | 177.3 | 179.7 | 0 | 116.4 | ||
| 200 | A | 45 | Very low | 53.2 | Low | 97 Ų | 97 | 150.8 Ų | 150.8 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -103.7 | 6.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 201 | S | 45.3 | Very low | 51.8 | Low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -126.9 | 24.6 | -171.4 | 70.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 202 | A | 46.5 | Very low | 50.7 | Low | 95 Ų | 95 | 148.1 Ų | 148.1 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -125.7 | 21.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | E | 48.6 | Very low | 49.8 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 95% | 0.949 | 84% | 0.84 | S | S | * | * | trans | -113.1 | 75.5 | 163.9 | -74 | -174.4 | 168.4 | 0 | 0 | 109.3 | ||||
| 204 | S | 47.4 | Very low | 48.9 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 85% | 0.848 | S | S | * | * | trans | -86.7 | 114.1 | 168.8 | 167.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 205 | C | 46.1 | Very low | 48.1 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 82% | 0.824 | 85% | 0.849 | S | S | * | * | trans | -31.9 | 130.6 | 166.4 | -101.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 206 | S | 45.2 | Very low | 47.6 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | trans | -101.1 | 114.1 | 156.2 | 162.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 207 | C | 52.7 | Low | 47 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 100% | 1.291 | 87% | 0.865 | S | S | * | * | trans | -84.7 | 0 | 147.7 | -69.5 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 207 of 207 residues in 675.2 ms
(Link to these results)