| 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 | A | 34.6 | Very low | 59.8 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 100% | 1.182 | 64% | 0.637 | S | S | * | * | 0 | 128 | 0 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 2 | P | 34.2 | Very low | 61.9 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | trans | -62 | 142.7 | 176.8 | 27.5 | -32.4 | 0 | 0 | 0 | 109.1 | R4 | P2-R4 PolarHBondContact O-N 3.08Š| ||
| 3 | P | 46.2 | Very low | 63.7 | Low | 120 Ų | 120 | 103.8 Ų | 103.8 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | trans | -60.6 | 129.1 | 179.2 | 24.9 | -31.3 | 0 | 0 | 0 | 108.7 | I5 | P3-I5 PolarHBondContact O-N 3.36Š| ||
| 4 | R | 46.8 | Very low | 65.3 | Low | 236 Ų | 236 | 98 Ų | 98 | 89% | 0.891 | 55% | 0.548 | S | S | * | . | trans | -53.4 | 109.4 | 172.5 | -167.9 | -177.6 | -74.3 | 166.7 | -5.2 | 106.5 | P2 V6 | P2-R4 PolarHBondContact O-N 3.08Å; R4-V6 PolarHBondContact O-N 3.4Å | ||
| 5 | I | 49.5 | Very low | 66.3 | Low | 159 Ų | 159 | 92.4 Ų | 92.4 | 82% | 0.815 | 52% | 0.521 | S | S | * | . | trans | -56.4 | 110.2 | 178.2 | -61.5 | 179.9 | 0 | 0 | 0 | 105.7 | P3 M7 | P3-I5 PolarHBondContact O-N 3.36Å; I5-M7 PolarHBondContact O-N 3.35Å; I5-M7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | V | 53.6 | Low | 67.4 | Low | 113 Ų | 113 | 90.3 Ų | 90.3 | 69% | 0.685 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 118.8 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 105.5 | R4 G8 | R4-V6 PolarHBondContact O-N 3.4Å; V6-G8 PolarHBondContact O-N 2.9Å |
| 7 | M | 59 | Low | 68.6 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 116.5 | 173 | -151.7 | 168.7 | -61.6 | 0 | 0 | 107.5 | I5 D11 V12 I24 | I5-M7 PolarHBondContact O-N 3.35Å; I5-M7 VanDerWaalsContact O-N 3.16Å; M7-D11 HydrophobicContact CG-CB 4.01Å; M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.33Å; M7-I24 WeakPolarHBondContact O-CD1 3.29Å |
| 8 | G | 74.9 | Confident | 69.7 | Low | 25 Ų | 25 | 86.9 Ų | 86.9 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 155.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V6 W10 D11 | V6-G8 PolarHBondContact O-N 2.9Å; G8-W10 PolarHBondContact O-N 3.04Å; G8-D11 WeakPolarHBondContact CA-OD2 3.25Å; G8-D11 PolarHBondContact N-OD2 2.83Å; G8-D11 WeakPolarHBondContact O-CB 3.48Å; G8-D11 PolarHBondContact O-N 3.39Å |
| 9 | Y | 84.3 | Confident | 70.9 | Confident | 24 Ų | 24 | 88.7 Ų | 88.7 | 9% | 0.094 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.1 | 176.7 | 179.3 | -99.8 | 0 | 0 | 0 | 113.2 | K21 I24 A25 F70 Y90 | Y9-K21 HydrophobicContact CD2-CG 4.46Å; Y9-K21 HydrophobicContact CE2-CB 4.35Å; Y9-K21 HydrophobicContact CE2-CG 4.3Å; Y9-K21 PolarHBondContact O-NZ 3.33Å; Y9-I24 HydrophobicContact CD2-CG2 4.28Å; Y9-A25 HydrophobicContact CE2-CB 4.3Å; Y9-F70 WeakPolarHBondContact OH-CE1 3.44Å; Y9-Y90 HydrophobicContact CE1-CE1 4.05Å; Y9-Y90 WeakPolarHBondContact CE1-OH 3.34Å; Y9-Y90 PolarHBondContact OH-OH 3.44Å |
| 10 | W | 88.1 | Confident | 71.9 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 40% | 0.398 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.4 | 179.6 | -60.2 | 113.6 | 0 | 0 | 0 | 114.8 | G8 Y90 K126 K129 | G8-W10 PolarHBondContact O-N 3.04Å; W10-Y90 AromaticContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CZ3-CE1 4.16Å; W10-Y90 AromaticContact CZ3-CZ 3.97Å; W10-Y90 VanDerWaalsContact CZ3-OH 3.24Å; W10-Y90 WeakPolarHBondContact CZ3-OH 3.45Å; W10-K126 HydrophobicContact CZ3-CD 4.27Å; W10-K129 HydrophobicContact CD2-CD 4.42Å; W10-K129 HydrophobicContact CD2-CG 4.29Å; W10-K129 HydrophobicContact CE3-CG 3.99Å; W10-K129 HydrophobicContact CH2-CB 4.22Å; W10-K129 HydrophobicContact CH2-CG 4.27Å; W10-K129 HydrophobicContact CZ3-CB 4.35Å; W10-K129 HydrophobicContact CZ3-CG 3.99Å |
| 11 | D | 86.8 | Confident | 72.7 | Confident | 114 Ų | 114 | 84 Ų | 84 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -23.1 | 179.2 | -60.4 | -32.8 | 0 | 0 | 0 | 111.4 | M7 G8 | M7-D11 HydrophobicContact CG-CB 4.01Å; G8-D11 WeakPolarHBondContact CA-OD2 3.25Å; G8-D11 PolarHBondContact N-OD2 2.83Å; G8-D11 WeakPolarHBondContact O-CB 3.48Å; G8-D11 PolarHBondContact O-N 3.39Å |
| 12 | V | 85.1 | Confident | 75.6 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -83.5 | 131.9 | 174.3 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | M7 D17 E20 K21 I24 | M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.33Å; V12-D17 HydrophobicContact CG1-CB 3.92Å; V12-E20 HydrophobicContact CG2-CG 4.47Å; V12-K21 HydrophobicContact CB-CD 4.36Å; V12-K21 HydrophobicContact CB-CG 3.91Å; V12-K21 HydrophobicContact CG1-CD 4.17Å; V12-K21 HydrophobicContact CG1-CG 3.88Å; V12-K21 WeakPolarHBondContact O-CE 3.38Å; V12-K21 PolarHBondContact O-NZ 3.38Å; V12-I24 HydrophobicContact CG2-CD1 4.44Å |
| 13 | P | 85.3 | Confident | 78.4 | Confident | 78 Ų | 78 | 79.3 Ų | 79.3 | 51% | 0.506 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 148.9 | 176.7 | -8.9 | 18 | 0 | 0 | 0 | 112.1 | T16 K21 | P13-T16 HydrophobicContact CB-CG2 4.44Å; P13-T16 WeakPolarHBondContact CB-OG1 3.44Å; P13-T16 WeakPolarHBondContact CD-OG1 3.31Å; P13-T16 WeakPolarHBondContact CG-OG1 3.5Å; P13-T16 PolarHBondContact O-OG1 3.46Å; P13-K21 VanDerWaalsContact C-CE 3.5Å; P13-K21 WeakPolarHBondContact O-CE 3.46Å |
| 14 | E | 85.5 | Confident | 80.6 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 140 | 173.5 | -64.1 | -56.4 | 142.2 | 0 | 0 | 111.1 | T16 K21 P84 Y90 | E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.41Å; E14-K21 IonicContact OE1-NZ 2.73Å; E14-K21 PolarHBondContact OE1-NZ 3.09Å; E14-K21 IonicContact OE2-NZ 3.83Å; E14-P84 HydrophobicContact CB-CB 3.94Å; E14-P84 VanDerWaalsContact CB-O 3.27Å; E14-P84 WeakPolarHBondContact CB-O 2.91Å; E14-Y90 VanDerWaalsContact CD-OH 3.26Å; E14-Y90 PolarHBondContact OE1-OH 3.39Å; E14-Y90 WeakPolarHBondContact OE2-CE2 3.48Å; E14-Y90 PolarHBondContact OE2-OH 2.89Å |
| 15 | G | 80 | Confident | 82.8 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q79 | G15-Q79 VanDerWaalsContact O-CG 3.28Å; G15-Q79 WeakPolarHBondContact O-CG 3.39Å |
| 16 | T | 84.6 | Confident | 85 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -113.8 | 160.8 | 173 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | P13 E14 C18 | P13-T16 HydrophobicContact CB-CG2 4.44Å; P13-T16 WeakPolarHBondContact CB-OG1 3.44Å; P13-T16 WeakPolarHBondContact CD-OG1 3.31Å; P13-T16 WeakPolarHBondContact CG-OG1 3.5Å; P13-T16 PolarHBondContact O-OG1 3.46Å; E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.41Å; T16-C18 VanDerWaalsContact C-N 3.28Å; T16-C18 PolarHBondContact O-N 3.23Å; T16-C18 VanDerWaalsContact O-N 3.12Å |
| 17 | D | 87.1 | Confident | 87 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | trans | 46.7 | 47.7 | 173.5 | -57.5 | -60.5 | 0 | 0 | 0 | 113.9 | V12 V19 E20 K21 | V12-D17 HydrophobicContact CG1-CB 3.92Å; D17-V19 PolarHBondContact O-N 2.9Å; D17-V19 VanDerWaalsContact O-N 3.08Å; D17-E20 HydrophobicContact CB-CB 4.25Å; D17-E20 PolarHBondContact O-N 3.47Å; D17-K21 PolarHBondContact O-N 3Å; D17-K21 VanDerWaalsContact O-N 3.1Å | ||
| 18 | C | 89.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.7 | -36.8 | -173.4 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | T16 E20 T22 C75 Q79 | T16-C18 VanDerWaalsContact C-N 3.28Å; T16-C18 PolarHBondContact O-N 3.23Å; T16-C18 VanDerWaalsContact O-N 3.12Å; C18-E20 VanDerWaalsContact C-N 3.33Å; C18-T22 WeakPolarHBondContact O-CB 3.4Å; C18-T22 PolarHBondContact O-N 2.9Å; C18-T22 PolarHBondContact O-OG1 3.34Å; C18-C75 WeakPolarHBondContact CA-SG 3.37Å; C18-C75 HydrophobicContact CB-CB 3.63Å; C18-C75 WeakPolarHBondContact CB-SG 3.28Å; C18-C75 WeakPolarHBondContact SG-CB 3.37Å; C18-C75 CovalentContact SG-SG 2.03Å; C18-C75 PolarHBondContact SG-SG 3.23Å; C18-Q79 PolarHBondContact SG-NE2 2.89Å |
| 19 | V | 92 | Very high | 89.5 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 179.2 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | D17 W23 | D17-V19 PolarHBondContact O-N 2.9Å; D17-V19 VanDerWaalsContact O-N 3.08Å; V19-W23 VanDerWaalsContact O-CB 3.22Å; V19-W23 WeakPolarHBondContact O-CB 3.29Å; V19-W23 PolarHBondContact O-N 2.93Å |
| 20 | E | 90.9 | Very high | 90 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69 | -48.9 | 179.6 | -177 | 164.1 | -166.6 | 0 | 0 | 111.5 | V12 D17 C18 T22 W23 I24 | V12-E20 HydrophobicContact CG2-CG 4.47Å; D17-E20 HydrophobicContact CB-CB 4.25Å; D17-E20 PolarHBondContact O-N 3.47Å; C18-E20 VanDerWaalsContact C-N 3.33Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 3.28Å; E20-W23 WeakPolarHBondContact O-CB 3.37Å; E20-W23 PolarHBondContact O-N 3.42Å; E20-W23 VanDerWaalsContact O-N 3.12Å; E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 2.97Å |
| 21 | K | 89.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.1 | -92.7 | -177.4 | -178.2 | -78.8 | 0 | 112.4 | Y9 V12 P13 E14 D17 W23 I24 A25 | Y9-K21 HydrophobicContact CD2-CG 4.46Å; Y9-K21 HydrophobicContact CE2-CB 4.35Å; Y9-K21 HydrophobicContact CE2-CG 4.3Å; Y9-K21 PolarHBondContact O-NZ 3.33Å; V12-K21 HydrophobicContact CB-CD 4.36Å; V12-K21 HydrophobicContact CB-CG 3.91Å; V12-K21 HydrophobicContact CG1-CD 4.17Å; V12-K21 HydrophobicContact CG1-CG 3.88Å; V12-K21 WeakPolarHBondContact O-CE 3.38Å; V12-K21 PolarHBondContact O-NZ 3.38Å; P13-K21 VanDerWaalsContact C-CE 3.5Å; P13-K21 WeakPolarHBondContact O-CE 3.46Å; E14-K21 IonicContact OE1-NZ 2.73Å; E14-K21 PolarHBondContact OE1-NZ 3.09Å; E14-K21 IonicContact OE2-NZ 3.83Å; D17-K21 PolarHBondContact O-N 3Å; D17-K21 VanDerWaalsContact O-N 3.1Å; K21-W23 VanDerWaalsContact C-N 3.35Å; K21-I24 PolarHBondContact O-N 2.93Å; K21-A25 WeakPolarHBondContact O-CB 3.29Å; K21-A25 PolarHBondContact O-N 3.27Å |
| 22 | T | 93.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.9 | -64 | 0 | 0 | 0 | 0 | 111.1 | C18 E20 I24 A25 T26 A68 G71 M72 | C18-T22 WeakPolarHBondContact O-CB 3.4Å; C18-T22 PolarHBondContact O-N 2.9Å; C18-T22 PolarHBondContact O-OG1 3.34Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 3.28Å; T22-I24 PolarHBondContact O-N 3.27Å; T22-A25 PolarHBondContact O-N 2.9Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 3.47Å; T22-T26 PolarHBondContact O-OG1 3.43Å; T22-A68 HydrophobicContact CG2-CB 4.16Å; T22-A68 WeakPolarHBondContact CG2-O 3.49Å; T22-G71 VanDerWaalsContact OG1-C 3.28Å; T22-M72 HydrophobicContact CG2-CG 3.59Å; T22-M72 HydrophobicContact CG2-SD 4.06Å; T22-M72 WeakPolarHBondContact OG1-CG 3.5Å; T22-M72 PolarHBondContact OG1-N 3.3Å; T22-M72 VanDerWaalsContact OG1-N 3.17Å; T22-M72 PolarHBondContact OG1-SD 2.89Å |
| 23 | W | 93.3 | Very high | 91 | Very high | 152 Ų | 152 | 53.4 Ų | 53.4 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 178.6 | -179 | -125 | 0 | 0 | 0 | 112.2 | V19 E20 K21 T26 K27 | V19-W23 VanDerWaalsContact O-CB 3.22Å; V19-W23 WeakPolarHBondContact O-CB 3.29Å; V19-W23 PolarHBondContact O-N 2.93Å; E20-W23 WeakPolarHBondContact O-CB 3.37Å; E20-W23 PolarHBondContact O-N 3.42Å; E20-W23 VanDerWaalsContact O-N 3.12Å; K21-W23 VanDerWaalsContact C-N 3.35Å; W23-T26 PolarHBondContact O-N 3.22Å; W23-K27 VanDerWaalsContact NE1-NZ 3.1Å; W23-K27 WeakPolarHBondContact O-CG 3.27Å; W23-K27 PolarHBondContact O-N 3.04Å |
| 24 | I | 93 | Very high | 91.4 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 174.3 | -63.8 | 163.5 | 0 | 0 | 0 | 110.3 | M7 Y9 V12 E20 K21 T22 T26 K27 L28 | M7-I24 WeakPolarHBondContact O-CD1 3.29Å; Y9-I24 HydrophobicContact CD2-CG2 4.28Å; V12-I24 HydrophobicContact CG2-CD1 4.44Å; E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 2.97Å; K21-I24 PolarHBondContact O-N 2.93Å; T22-I24 PolarHBondContact O-N 3.27Å; I24-T26 VanDerWaalsContact C-N 3.32Å; I24-T26 PolarHBondContact O-N 3.29Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.85Å; I24-L28 HydrophobicContact CG2-CD1 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 2.86Å |
| 25 | A | 93.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y9 K21 T22 L28 G29 G67 F70 | Y9-A25 HydrophobicContact CE2-CB 4.3Å; K21-A25 WeakPolarHBondContact O-CB 3.29Å; K21-A25 PolarHBondContact O-N 3.27Å; T22-A25 PolarHBondContact O-N 2.9Å; A25-L28 PolarHBondContact O-N 3.25Å; A25-G29 PolarHBondContact O-N 2.98Å; A25-G67 VanDerWaalsContact CB-O 3.27Å; A25-G67 WeakPolarHBondContact CB-O 3.47Å; A25-F70 HydrophobicContact CB-CD1 4.44Å |
| 26 | T | 95.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | T22 W23 I24 L28 G29 T30 A64 A68 | T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 3.47Å; T22-T26 PolarHBondContact O-OG1 3.43Å; W23-T26 PolarHBondContact O-N 3.22Å; I24-T26 VanDerWaalsContact C-N 3.32Å; I24-T26 PolarHBondContact O-N 3.29Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 2.62Å; T26-G29 PolarHBondContact O-N 3.48Å; T26-T30 PolarHBondContact O-N 3.36Å; T26-T30 PolarHBondContact O-OG1 2.94Å; T26-A64 HydrophobicContact CG2-CB 4.15Å; T26-A68 WeakPolarHBondContact OG1-CA 3.37Å; T26-A68 VanDerWaalsContact OG1-CB 3.3Å; T26-A68 WeakPolarHBondContact OG1-CB 3.24Å |
| 27 | K | 94.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 175.8 | -78.8 | 173.4 | 166.7 | 173.2 | 0 | 112.2 | W23 I24 T30 A31 | W23-K27 VanDerWaalsContact NE1-NZ 3.1Å; W23-K27 WeakPolarHBondContact O-CG 3.27Å; W23-K27 PolarHBondContact O-N 3.04Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.85Å; K27-T30 PolarHBondContact O-N 3.42Å; K27-A31 WeakPolarHBondContact O-CB 3.35Å; K27-A31 PolarHBondContact O-N 3.26Å |
| 28 | L | 93.5 | Very high | 93.2 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175 | -70.4 | 170.9 | 0 | 0 | 0 | 110.9 | I24 A25 T26 T30 A31 L32 | I24-L28 HydrophobicContact CG2-CD1 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 2.86Å; A25-L28 PolarHBondContact O-N 3.25Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 2.62Å; L28-T30 PolarHBondContact O-N 3.37Å; L28-A31 PolarHBondContact O-N 2.91Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.91Å |
| 29 | G | 94.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A25 T26 A31 L32 G33 M63 | A25-G29 PolarHBondContact O-N 2.98Å; T26-G29 PolarHBondContact O-N 3.48Å; G29-A31 PolarHBondContact O-N 2.7Å; G29-L32 PolarHBondContact O-N 3.4Å; G29-G33 PolarHBondContact O-N 2.96Å; G29-M63 VanDerWaalsContact O-CB 3.25Å; G29-M63 WeakPolarHBondContact O-CB 3.35Å |
| 30 | T | 94.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -46 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | T26 K27 L28 G33 L34 T60 A64 | T26-T30 PolarHBondContact O-N 3.36Å; T26-T30 PolarHBondContact O-OG1 2.94Å; K27-T30 PolarHBondContact O-N 3.42Å; L28-T30 PolarHBondContact O-N 3.37Å; T30-G33 PolarHBondContact O-N 3.49Å; T30-L34 HydrophobicContact CG2-CD1 4.32Å; T30-L34 WeakPolarHBondContact O-CG 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å; T30-T60 HydrophobicContact CG2-CG2 3.69Å; T30-A64 VanDerWaalsContact OG1-CB 3.25Å; T30-A64 WeakPolarHBondContact OG1-CB 3.34Å |
| 31 | A | 94.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | K27 L28 G29 G33 L34 I35 | K27-A31 WeakPolarHBondContact O-CB 3.35Å; K27-A31 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 2.91Å; G29-A31 PolarHBondContact O-N 2.7Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.67Å; A31-L34 PolarHBondContact O-N 3.39Å; A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.39Å; A31-I35 PolarHBondContact O-N 3.5Å |
| 32 | L | 93.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 63.9 Ų | 63.9 | 56% | 0.56 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | 175.5 | -68.7 | 173.7 | 0 | 0 | 0 | 112.1 | L28 G29 I35 G36 | L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.91Å; G29-L32 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.97Å; L32-G36 PolarHBondContact O-N 3.07Å |
| 33 | G | 93.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | G29 T30 A31 S37 | G29-G33 PolarHBondContact O-N 2.96Å; T30-G33 PolarHBondContact O-N 3.49Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.67Å; G33-S37 VanDerWaalsContact O-CB 3.24Å; G33-S37 WeakPolarHBondContact O-CB 3.41Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 PolarHBondContact O-OG 2.91Å |
| 34 | L | 94 | Very high | 93.8 | Very high | 98 Ų | 98 | 65.6 Ų | 65.6 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 175.2 | -74.8 | 171.7 | 0 | 0 | 0 | 111.8 | T30 A31 S37 A38 T60 | T30-L34 HydrophobicContact CG2-CD1 4.32Å; T30-L34 WeakPolarHBondContact O-CG 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å; A31-L34 PolarHBondContact O-N 3.39Å; L34-S37 PolarHBondContact O-N 3.46Å; L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.16Å; L34-T60 HydrophobicContact CD2-CG2 4.03Å; L34-T60 HydrophobicContact CG-CG2 3.85Å |
| 35 | I | 94.7 | Very high | 93.7 | Very high | 94 Ų | 94 | 72.5 Ų | 72.5 | 48% | 0.482 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 176.7 | -66.8 | 165.5 | 0 | 0 | 0 | 110.1 | A31 L32 S37 A38 Y39 | A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.39Å; A31-I35 PolarHBondContact O-N 3.5Å; L32-I35 PolarHBondContact O-N 2.97Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.16Å; I35-A38 WeakPolarHBondContact O-CB 3.37Å; I35-A38 PolarHBondContact O-N 2.88Å; I35-Y39 HydrophobicContact CG2-CD2 3.86Å; I35-Y39 HydrophobicContact CG2-CE2 3.69Å; I35-Y39 VanDerWaalsContact O-CD2 3.25Å; I35-Y39 WeakPolarHBondContact O-CD2 3.48Å; I35-Y39 PolarHBondContact O-N 3.49Å; I35-Y39 VanDerWaalsContact O-N 3.09Å |
| 36 | G | 92.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 73.4 Ų | 73.4 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L32 Y39 H40 | L32-G36 PolarHBondContact O-N 3.07Å; G36-Y39 PolarHBondContact O-N 3.35Å; G36-H40 WeakPolarHBondContact O-CB 3.33Å; G36-H40 PolarHBondContact O-N 3.43Å |
| 37 | S | 92.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 79.7 Ų | 79.7 | 4% | 0.035 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | G33 L34 I35 H40 I41 A56 A59 | G33-S37 VanDerWaalsContact O-CB 3.24Å; G33-S37 WeakPolarHBondContact O-CB 3.41Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 PolarHBondContact O-OG 2.91Å; L34-S37 PolarHBondContact O-N 3.46Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.16Å; S37-H40 PolarHBondContact O-N 3.38Å; S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 VanDerWaalsContact O-CG1 3.31Å; S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 2.83Å; S37-A56 PolarHBondContact OG-O 2.82Å; S37-A59 WeakPolarHBondContact OG-CB 3.49Å |
| 38 | A | 93.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 78.4 Ų | 78.4 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L34 I35 H40 I41 V42 | L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.16Å; I35-A38 WeakPolarHBondContact O-CB 3.37Å; I35-A38 PolarHBondContact O-N 2.88Å; A38-H40 PolarHBondContact O-N 3.29Å; A38-I41 PolarHBondContact O-N 3.18Å; A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.32Å |
| 39 | Y | 94.9 | Very high | 93.3 | Very high | 173 Ų | 173 | 77.7 Ų | 77.7 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 174.5 | -79.8 | -70.3 | 0 | 0 | 0 | 112.3 | I35 G36 I41 V42 A43 | I35-Y39 HydrophobicContact CG2-CD2 3.86Å; I35-Y39 HydrophobicContact CG2-CE2 3.69Å; I35-Y39 VanDerWaalsContact O-CD2 3.25Å; I35-Y39 WeakPolarHBondContact O-CD2 3.48Å; I35-Y39 PolarHBondContact O-N 3.49Å; I35-Y39 VanDerWaalsContact O-N 3.09Å; G36-Y39 PolarHBondContact O-N 3.35Å; Y39-I41 PolarHBondContact O-N 3.01Å; Y39-V42 PolarHBondContact O-N 3.02Å; Y39-A43 WeakPolarHBondContact O-CB 3.34Å; Y39-A43 PolarHBondContact O-N 3.43Å |
| 40 | H | 92.5 | Very high | 93.3 | Very high | 90 Ų | 90 | 82.7 Ų | 82.7 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 179.1 | -175 | -78.5 | 0 | 0 | 0 | 112.1 | G36 S37 A38 F44 | G36-H40 WeakPolarHBondContact O-CB 3.33Å; G36-H40 PolarHBondContact O-N 3.43Å; S37-H40 PolarHBondContact O-N 3.38Å; A38-H40 PolarHBondContact O-N 3.29Å; H40-F44 AromaticContact NE2-CD2 3.91Å; H40-F44 WeakPolarHBondContact O-CA 3.25Å; H40-F44 WeakPolarHBondContact O-CB 3.25Å; H40-F44 PolarHBondContact O-N 2.88Å |
| 41 | I | 93.5 | Very high | 93.1 | Very high | 45 Ų | 45 | 83.3 Ų | 83.3 | 23% | 0.231 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.5 | -38 | 178.2 | -70.7 | 167 | 0 | 0 | 0 | 111.5 | S37 A38 Y39 F44 Q45 P46 A52 A56 | S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 VanDerWaalsContact O-CG1 3.31Å; S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 2.83Å; A38-I41 PolarHBondContact O-N 3.18Å; Y39-I41 PolarHBondContact O-N 3.01Å; I41-F44 CarbonylContact O-C 3.35Å; I41-Q45 WeakPolarHBondContact O-CA 3.37Å; I41-Q45 PolarHBondContact O-N 2.81Å; I41-P46 HydrophobicContact CG2-CG 4.37Å; I41-A52 HydrophobicContact CD1-CB 4.34Å; I41-A56 HydrophobicContact CD1-CB 3.99Å |
| 42 | V | 93.2 | Very high | 93 | Very high | 114 Ų | 114 | 81.9 Ų | 81.9 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | A38 Y39 | A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.32Å; Y39-V42 PolarHBondContact O-N 3.02Å |
| 43 | A | 94.3 | Very high | 93 | Very high | 70 Ų | 70 | 83.4 Ų | 83.4 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -74.1 | -37.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y39 | Y39-A43 WeakPolarHBondContact O-CB 3.34Å; Y39-A43 PolarHBondContact O-N 3.43Å |
| 44 | F | 93.5 | Very high | 93 | Very high | 134 Ų | 134 | 89 Ų | 89 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -126.1 | 85.6 | -178.3 | -57.9 | -72.6 | 0 | 0 | 0 | 109.8 | H40 I41 | H40-F44 AromaticContact NE2-CD2 3.91Å; H40-F44 WeakPolarHBondContact O-CA 3.25Å; H40-F44 WeakPolarHBondContact O-CB 3.25Å; H40-F44 PolarHBondContact O-N 2.88Å; I41-F44 CarbonylContact O-C 3.35Å |
| 45 | Q | 90.6 | Very high | 92.9 | Very high | 165 Ų | 165 | 88.2 Ų | 88.2 | 77% | 0.771 | 48% | 0.478 | S | S | * | . | trans | -60.7 | 127.2 | -177.4 | -70.6 | -169.6 | -21.8 | 0 | 0 | 110.9 | I41 | I41-Q45 WeakPolarHBondContact O-CA 3.37Å; I41-Q45 PolarHBondContact O-N 2.81Å | ||
| 46 | P | 90.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 84.9 Ų | 84.9 | 17% | 0.169 | 46% | 0.464 | C | S | . | . | trans | -78.7 | 151.5 | 172.2 | 30.6 | -30.7 | 0 | 0 | 0 | 110.4 | I41 T48 E51 A52 | I41-P46 HydrophobicContact CG2-CG 4.37Å; P46-T48 PolarHBondContact O-N 3.44Å; P46-E51 HydrophobicContact CB-CB 4.24Å; P46-E51 HydrophobicContact CB-CG 4.22Å; P46-A52 HydrophobicContact CB-CB 4.27Å; P46-A52 HydrophobicContact CG-CB 3.41Å; P46-A52 VanDerWaalsContact CG-CB 3.41Å | ||
| 47 | D | 91.9 | Very high | 93 | Very high | 156 Ų | 156 | 85.6 Ų | 85.6 | 83% | 0.834 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -72.8 | -21.3 | -179.6 | -63 | -43.9 | 0 | 0 | 0 | 112 | ||
| 48 | T | 94.1 | Very high | 93 | Very high | 77 Ų | 77 | 87.8 Ų | 87.8 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -137.3 | 152.4 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 113 | P46 L50 E51 A52 | P46-T48 PolarHBondContact O-N 3.44Å; T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.25Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CB 3.29Å; T48-E51 WeakPolarHBondContact OG1-CB 3.48Å; T48-E51 PolarHBondContact OG1-N 3.48Å; T48-A52 PolarHBondContact O-N 3.36Å; T48-A52 VanDerWaalsContact O-N 3.08Å |
| 49 | A | 91.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 87.1 Ų | 87.1 | 69% | 0.686 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A52 M53 | A49-A52 WeakPolarHBondContact O-CB 3.3Å; A49-A52 PolarHBondContact O-N 3.03Å; A49-M53 PolarHBondContact O-N 3.42Å |
| 50 | L | 93.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 79.6 Ų | 79.6 | 59% | 0.586 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 178 | -178.7 | 60.8 | 0 | 0 | 0 | 111.2 | T48 A52 M53 Q54 | T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.25Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-M53 PolarHBondContact O-N 3.41Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 2.96Å |
| 51 | E | 91.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 79.6 Ų | 79.6 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.4 | -174.5 | 179.2 | -166 | 0 | 0 | 111.4 | P46 T48 M53 Q54 R55 | P46-E51 HydrophobicContact CB-CB 4.24Å; P46-E51 HydrophobicContact CB-CG 4.22Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CB 3.29Å; T48-E51 WeakPolarHBondContact OG1-CB 3.48Å; T48-E51 PolarHBondContact OG1-N 3.48Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 2.99Å; E51-Q54 PolarHBondContact O-N 2.7Å; E51-R55 HydrophobicContact CG-CG 4.38Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.27Å; E51-R55 PolarHBondContact O-N 2.76Å; E51-R55 IonicContact OE1-CZ 3.23Å; E51-R55 VanDerWaalsContact OE1-CZ 3.23Å; E51-R55 IonicContact OE1-NE 3.25Å; E51-R55 PolarHBondContact OE1-NE 3.04Å; E51-R55 IonicContact OE1-NH2 2.62Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å; E51-R55 IonicContact OE2-NH2 3.89Å |
| 52 | A | 91.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 78.3 Ų | 78.3 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I41 P46 T48 A49 L50 R55 A56 | I41-A52 HydrophobicContact CD1-CB 4.34Å; P46-A52 HydrophobicContact CB-CB 4.27Å; P46-A52 HydrophobicContact CG-CB 3.41Å; P46-A52 VanDerWaalsContact CG-CB 3.41Å; T48-A52 PolarHBondContact O-N 3.36Å; T48-A52 VanDerWaalsContact O-N 3.08Å; A49-A52 WeakPolarHBondContact O-CB 3.3Å; A49-A52 PolarHBondContact O-N 3.03Å; L50-A52 VanDerWaalsContact C-N 3.33Å; A52-R55 PolarHBondContact O-N 3.26Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 2.94Å |
| 53 | M | 94.1 | Very high | 93.5 | Very high | 138 Ų | 138 | 76.1 Ų | 76.1 | 68% | 0.68 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 177.7 | -89.4 | -170.1 | 63.8 | 0 | 0 | 112.3 | A49 L50 E51 A56 A57 | A49-M53 PolarHBondContact O-N 3.42Å; L50-M53 PolarHBondContact O-N 3.41Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 2.99Å; M53-A56 PolarHBondContact O-N 3.22Å; M53-A57 WeakPolarHBondContact O-CB 3.45Å; M53-A57 PolarHBondContact O-N 3.48Å |
| 54 | Q | 93.9 | Very high | 93.6 | Very high | 121 Ų | 121 | 73.4 Ų | 73.4 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 179.5 | -73.3 | 176.6 | -12.9 | 0 | 0 | 111.8 | L50 E51 S58 | L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 2.96Å; E51-Q54 PolarHBondContact O-N 2.7Å; Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.35Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 2.87Å |
| 55 | R | 91.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174.6 | -71.4 | 175.7 | -177.9 | -170.8 | 1.2 | 110.8 | E51 A52 A57 S58 A59 | E51-R55 HydrophobicContact CG-CG 4.38Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.27Å; E51-R55 PolarHBondContact O-N 2.76Å; E51-R55 IonicContact OE1-CZ 3.23Å; E51-R55 VanDerWaalsContact OE1-CZ 3.23Å; E51-R55 IonicContact OE1-NE 3.25Å; E51-R55 PolarHBondContact OE1-NE 3.04Å; E51-R55 IonicContact OE1-NH2 2.62Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å; E51-R55 IonicContact OE2-NH2 3.89Å; A52-R55 PolarHBondContact O-N 3.26Å; R55-A57 PolarHBondContact O-N 3.41Å; R55-S58 PolarHBondContact O-N 2.92Å; R55-S58 PolarHBondContact O-OG 3.04Å; R55-A59 WeakPolarHBondContact O-CB 3.33Å; R55-A59 PolarHBondContact O-N 2.88Å; R55-A59 VanDerWaalsContact O-N 3.07Å |
| 56 | A | 93.6 | Very high | 94 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S37 I41 A52 M53 T60 | S37-A56 PolarHBondContact OG-O 2.82Å; I41-A56 HydrophobicContact CD1-CB 3.99Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 2.94Å; M53-A56 PolarHBondContact O-N 3.22Å; A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 PolarHBondContact O-N 3.39Å; A56-T60 PolarHBondContact O-OG1 2.9Å |
| 57 | A | 94.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 61.6 Ų | 61.6 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | M53 R55 A59 T60 V61 | M53-A57 WeakPolarHBondContact O-CB 3.45Å; M53-A57 PolarHBondContact O-N 3.48Å; R55-A57 PolarHBondContact O-N 3.41Å; A57-A59 PolarHBondContact O-N 3.36Å; A57-T60 PolarHBondContact O-N 3.39Å; A57-V61 WeakPolarHBondContact O-CB 3.18Å; A57-V61 VanDerWaalsContact O-CG2 3.25Å; A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 3.5Å |
| 58 | S | 94.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | -179 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | Q54 R55 T62 | Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.35Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 2.87Å; R55-S58 PolarHBondContact O-N 2.92Å; R55-S58 PolarHBondContact O-OG 3.04Å; S58-T62 WeakPolarHBondContact O-CB 3.22Å; S58-T62 PolarHBondContact O-N 2.93Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.97Å |
| 59 | A | 93.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S37 R55 A57 T62 M63 | S37-A59 WeakPolarHBondContact OG-CB 3.49Å; R55-A59 WeakPolarHBondContact O-CB 3.33Å; R55-A59 PolarHBondContact O-N 2.88Å; R55-A59 VanDerWaalsContact O-N 3.07Å; A57-A59 PolarHBondContact O-N 3.36Å; A59-T62 PolarHBondContact O-N 2.99Å; A59-M63 WeakPolarHBondContact O-CG 3.24Å; A59-M63 PolarHBondContact O-N 3.31Å |
| 60 | T | 95.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 112 | T30 L34 A56 A57 T62 M63 A64 | T30-T60 HydrophobicContact CG2-CG2 3.69Å; L34-T60 HydrophobicContact CD2-CG2 4.03Å; L34-T60 HydrophobicContact CG-CG2 3.85Å; A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 PolarHBondContact O-N 3.39Å; A56-T60 PolarHBondContact O-OG1 2.9Å; A57-T60 PolarHBondContact O-N 3.39Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.69Å; T60-M63 PolarHBondContact O-N 3.23Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 2.87Å |
| 61 | V | 96.3 | Very high | 94.9 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | A57 M63 A64 T65 | A57-V61 WeakPolarHBondContact O-CB 3.18Å; A57-V61 VanDerWaalsContact O-CG2 3.25Å; A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 3.5Å; V61-M63 PolarHBondContact O-N 2.94Å; V61-A64 PolarHBondContact O-N 3.1Å; V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 2.89Å; V61-T65 PolarHBondContact O-OG1 3.35Å |
| 62 | T | 95.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | S58 A59 T60 T65 M66 F100 L101 R104 | S58-T62 WeakPolarHBondContact O-CB 3.22Å; S58-T62 PolarHBondContact O-N 2.93Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.97Å; A59-T62 PolarHBondContact O-N 2.99Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.69Å; T62-T65 PolarHBondContact O-N 2.79Å; T62-M66 HydrophobicContact CG2-SD 4.42Å; T62-M66 WeakPolarHBondContact O-CG 3.39Å; T62-M66 PolarHBondContact O-N 2.92Å; T62-F100 HydrophobicContact CG2-CE1 4.27Å; T62-L101 HydrophobicContact CG2-CD1 4.05Å; T62-R104 HydrophobicContact CG2-CG 3.88Å |
| 63 | M | 95.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 179.2 | -63.5 | -55.9 | -65 | 0 | 0 | 112.7 | G29 A59 T60 V61 M66 G67 | G29-M63 VanDerWaalsContact O-CB 3.25Å; G29-M63 WeakPolarHBondContact O-CB 3.35Å; A59-M63 WeakPolarHBondContact O-CG 3.24Å; A59-M63 PolarHBondContact O-N 3.31Å; T60-M63 PolarHBondContact O-N 3.23Å; V61-M63 PolarHBondContact O-N 2.94Å; M63-M66 PolarHBondContact O-N 2.87Å; M63-M66 HydrophobicContact SD-SD 3.91Å; M63-G67 PolarHBondContact O-N 3Å |
| 64 | A | 96.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T26 T30 T60 V61 M66 G67 A68 | T26-A64 HydrophobicContact CG2-CB 4.15Å; T30-A64 VanDerWaalsContact OG1-CB 3.25Å; T30-A64 WeakPolarHBondContact OG1-CB 3.34Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 2.87Å; V61-A64 PolarHBondContact O-N 3.1Å; A64-M66 PolarHBondContact O-N 3.42Å; A64-G67 PolarHBondContact O-N 2.95Å; A64-A68 PolarHBondContact O-N 3.05Å |
| 65 | T | 97 | Very high | 95.3 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | V61 T62 G67 A68 I69 F100 | V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 2.89Å; V61-T65 PolarHBondContact O-OG1 3.35Å; T62-T65 PolarHBondContact O-N 2.79Å; T65-G67 VanDerWaalsContact C-N 3.34Å; T65-G67 PolarHBondContact O-N 3.16Å; T65-A68 PolarHBondContact O-N 3.36Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.12Å; T65-F100 HydrophobicContact CG2-CD1 4.37Å; T65-F100 HydrophobicContact CG2-CD2 4.33Å; T65-F100 HydrophobicContact CG2-CE1 3.7Å; T65-F100 HydrophobicContact CG2-CE2 3.66Å; T65-F100 HydrophobicContact CG2-CZ 3.3Å |
| 66 | M | 97.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 172.9 | -73 | 175.6 | 70.4 | 0 | 0 | 111.9 | T62 M63 A64 A68 I69 F70 F100 L101 L118 | T62-M66 HydrophobicContact CG2-SD 4.42Å; T62-M66 WeakPolarHBondContact O-CG 3.39Å; T62-M66 PolarHBondContact O-N 2.92Å; M63-M66 PolarHBondContact O-N 2.87Å; M63-M66 HydrophobicContact SD-SD 3.91Å; A64-M66 PolarHBondContact O-N 3.42Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 2.83Å; M66-I69 PolarHBondContact O-N 3.37Å; M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.38Å; M66-F70 PolarHBondContact O-N 2.82Å; M66-F100 HydrophobicContact CG-CD1 3.7Å; M66-F100 HydrophobicContact CG-CE1 4.05Å; M66-L101 HydrophobicContact CE-CB 4.16Å; M66-L101 HydrophobicContact CE-CD2 4.12Å; M66-L101 HydrophobicContact SD-CB 4.09Å; M66-L101 HydrophobicContact SD-CD1 4.05Å; M66-L101 HydrophobicContact SD-CD2 4.34Å; M66-L101 HydrophobicContact SD-CG 4.39Å; M66-L118 HydrophobicContact CE-CD1 3.54Å |
| 67 | G | 95.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A25 M63 A64 T65 G71 | A25-G67 VanDerWaalsContact CB-O 3.27Å; A25-G67 WeakPolarHBondContact CB-O 3.47Å; M63-G67 PolarHBondContact O-N 3Å; A64-G67 PolarHBondContact O-N 2.95Å; T65-G67 VanDerWaalsContact C-N 3.34Å; T65-G67 PolarHBondContact O-N 3.16Å; G67-G71 PolarHBondContact O-N 3.02Å |
| 68 | A | 96.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 21% | 0.207 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T22 T26 A64 T65 M66 F70 G71 M72 | T22-A68 HydrophobicContact CG2-CB 4.16Å; T22-A68 WeakPolarHBondContact CG2-O 3.49Å; T26-A68 WeakPolarHBondContact OG1-CA 3.37Å; T26-A68 VanDerWaalsContact OG1-CB 3.3Å; T26-A68 WeakPolarHBondContact OG1-CB 3.24Å; A64-A68 PolarHBondContact O-N 3.05Å; T65-A68 PolarHBondContact O-N 3.36Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 2.83Å; A68-F70 VanDerWaalsContact C-N 3.33Å; A68-F70 PolarHBondContact O-N 3.43Å; A68-G71 PolarHBondContact O-N 3.26Å; A68-M72 WeakPolarHBondContact O-CB 3.24Å; A68-M72 WeakPolarHBondContact O-CG 3.42Å; A68-M72 PolarHBondContact O-N 3.48Å |
| 69 | I | 97.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 177 | -70.2 | 170.3 | 0 | 0 | 0 | 109.8 | T65 M66 G71 M72 T73 A96 F100 | T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.12Å; M66-I69 PolarHBondContact O-N 3.37Å; I69-G71 PolarHBondContact O-N 2.9Å; I69-M72 PolarHBondContact O-N 2.98Å; I69-T73 WeakPolarHBondContact O-CB 3.24Å; I69-T73 PolarHBondContact O-N 3.15Å; I69-T73 PolarHBondContact O-OG1 3.44Å; I69-A96 HydrophobicContact CG2-CB 3.79Å; I69-F100 HydrophobicContact CD1-CB 3.51Å; I69-F100 HydrophobicContact CD1-CD1 3.94Å; I69-F100 HydrophobicContact CD1-CD2 3.5Å; I69-F100 HydrophobicContact CD1-CE2 4.21Å; I69-F100 HydrophobicContact CD1-CG 3.34Å |
| 70 | F | 96.8 | Very high | 95 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.2 | -57.6 | 175.6 | 175.3 | -99.7 | 0 | 0 | 0 | 111.2 | Y9 A25 M66 A68 M72 T73 T74 Y90 A122 | Y9-F70 WeakPolarHBondContact OH-CE1 3.44Å; A25-F70 HydrophobicContact CB-CD1 4.44Å; M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.38Å; M66-F70 PolarHBondContact O-N 2.82Å; A68-F70 VanDerWaalsContact C-N 3.33Å; A68-F70 PolarHBondContact O-N 3.43Å; F70-M72 PolarHBondContact O-N 3.38Å; F70-T73 PolarHBondContact O-N 2.95Å; F70-T74 HydrophobicContact CD2-CG2 4.1Å; F70-T74 HydrophobicContact CE1-CG2 4.23Å; F70-T74 HydrophobicContact CE2-CG2 3.71Å; F70-T74 HydrophobicContact CG-CG2 4.49Å; F70-T74 HydrophobicContact CZ-CG2 3.79Å; F70-T74 WeakPolarHBondContact O-CG2 3.37Å; F70-T74 PolarHBondContact O-N 3.48Å; F70-T74 PolarHBondContact O-OG1 3.37Å; F70-Y90 HydrophobicContact CE2-CD1 4.38Å; F70-Y90 AromaticContact CZ-CD1 3.67Å; F70-Y90 HydrophobicContact CZ-CD1 3.67Å; F70-Y90 AromaticContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CG 4.37Å; F70-A122 HydrophobicContact CE2-CB 3.8Å; F70-A122 HydrophobicContact CZ-CB 4.41Å |
| 71 | G | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T22 G67 A68 I69 T74 C75 | T22-G71 VanDerWaalsContact OG1-C 3.28Å; G67-G71 PolarHBondContact O-N 3.02Å; A68-G71 PolarHBondContact O-N 3.26Å; I69-G71 PolarHBondContact O-N 2.9Å; G71-T74 PolarHBondContact O-OG1 2.86Å; G71-T74 VanDerWaalsContact O-OG1 3.11Å; G71-C75 WeakPolarHBondContact O-CB 3.24Å; G71-C75 PolarHBondContact O-N 3.5Å |
| 72 | M | 95.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 176.5 | -75 | -64.7 | -68.2 | 0 | 0 | 111 | T22 A68 I69 F70 C75 L76 | T22-M72 HydrophobicContact CG2-CG 3.59Å; T22-M72 HydrophobicContact CG2-SD 4.06Å; T22-M72 WeakPolarHBondContact OG1-CG 3.5Å; T22-M72 PolarHBondContact OG1-N 3.3Å; T22-M72 VanDerWaalsContact OG1-N 3.17Å; T22-M72 PolarHBondContact OG1-SD 2.89Å; A68-M72 WeakPolarHBondContact O-CB 3.24Å; A68-M72 WeakPolarHBondContact O-CG 3.42Å; A68-M72 PolarHBondContact O-N 3.48Å; I69-M72 PolarHBondContact O-N 2.98Å; F70-M72 PolarHBondContact O-N 3.38Å; M72-C75 PolarHBondContact O-N 3.19Å; M72-L76 HydrophobicContact CE-CD1 4.37Å; M72-L76 WeakPolarHBondContact O-CB 3.32Å; M72-L76 VanDerWaalsContact O-CG 3.25Å; M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 3Å |
| 73 | T | 96.1 | Very high | 94 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | I69 F70 C75 L76 T77 V92 A96 | I69-T73 WeakPolarHBondContact O-CB 3.24Å; I69-T73 PolarHBondContact O-N 3.15Å; I69-T73 PolarHBondContact O-OG1 3.44Å; F70-T73 PolarHBondContact O-N 2.95Å; T73-C75 VanDerWaalsContact C-N 3.32Å; T73-C75 PolarHBondContact O-N 2.82Å; T73-L76 PolarHBondContact O-N 3.1Å; T73-T77 HydrophobicContact CG2-CG2 4.17Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 VanDerWaalsContact O-CG2 3.23Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.28Å; T73-T77 PolarHBondContact O-OG1 3Å; T73-V92 HydrophobicContact CG2-CG1 3.79Å; T73-A96 HydrophobicContact CG2-CB 3.99Å |
| 74 | T | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | F70 G71 T77 A78 Y90 | F70-T74 HydrophobicContact CD2-CG2 4.1Å; F70-T74 HydrophobicContact CE1-CG2 4.23Å; F70-T74 HydrophobicContact CE2-CG2 3.71Å; F70-T74 HydrophobicContact CG-CG2 4.49Å; F70-T74 HydrophobicContact CZ-CG2 3.79Å; F70-T74 WeakPolarHBondContact O-CG2 3.37Å; F70-T74 PolarHBondContact O-N 3.48Å; F70-T74 PolarHBondContact O-OG1 3.37Å; G71-T74 PolarHBondContact O-OG1 2.86Å; G71-T74 VanDerWaalsContact O-OG1 3.11Å; T74-T77 WeakPolarHBondContact CA-OG1 3.47Å; T74-T77 PolarHBondContact O-OG1 3.29Å; T74-T77 VanDerWaalsContact O-OG1 3.07Å; T74-A78 VanDerWaalsContact O-CB 3.25Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 2.65Å; T74-Y90 HydrophobicContact CG2-CD2 4.22Å; T74-Y90 HydrophobicContact CG2-CG 4.26Å |
| 75 | C | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -43.3 | -179.9 | -162.1 | 0 | 0 | 0 | 0 | 112.9 | C18 G71 M72 T73 A78 Q79 | C18-C75 WeakPolarHBondContact CA-SG 3.37Å; C18-C75 HydrophobicContact CB-CB 3.63Å; C18-C75 WeakPolarHBondContact CB-SG 3.28Å; C18-C75 WeakPolarHBondContact SG-CB 3.37Å; C18-C75 CovalentContact SG-SG 2.03Å; C18-C75 PolarHBondContact SG-SG 3.23Å; G71-C75 WeakPolarHBondContact O-CB 3.24Å; G71-C75 PolarHBondContact O-N 3.5Å; M72-C75 PolarHBondContact O-N 3.19Å; T73-C75 VanDerWaalsContact C-N 3.32Å; T73-C75 PolarHBondContact O-N 2.82Å; C75-A78 PolarHBondContact O-N 2.7Å; C75-Q79 PolarHBondContact O-N 3.49Å |
| 76 | L | 93.7 | Very high | 92.6 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 178.8 | -70.8 | 173.6 | 0 | 0 | 0 | 111.8 | M72 T73 Q79 A80 | M72-L76 HydrophobicContact CE-CD1 4.37Å; M72-L76 WeakPolarHBondContact O-CB 3.32Å; M72-L76 VanDerWaalsContact O-CG 3.25Å; M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 3Å; T73-L76 PolarHBondContact O-N 3.1Å; L76-Q79 PolarHBondContact O-N 2.97Å; L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.15Å |
| 77 | T | 93.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 112 | T73 T74 Q79 A80 R81 N89 V92 | T73-T77 HydrophobicContact CG2-CG2 4.17Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 VanDerWaalsContact O-CG2 3.23Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.28Å; T73-T77 PolarHBondContact O-OG1 3Å; T74-T77 WeakPolarHBondContact CA-OG1 3.47Å; T74-T77 PolarHBondContact O-OG1 3.29Å; T74-T77 VanDerWaalsContact O-OG1 3.07Å; T77-Q79 VanDerWaalsContact C-N 3.34Å; T77-Q79 PolarHBondContact O-N 3.44Å; T77-A80 PolarHBondContact O-N 3.43Å; T77-R81 WeakPolarHBondContact O-CB 3.41Å; T77-R81 WeakPolarHBondContact O-CG 3.35Å; T77-R81 PolarHBondContact O-N 3.47Å; T77-N89 WeakPolarHBondContact OG1-CB 3.04Å; T77-V92 HydrophobicContact CG2-CB 4.19Å; T77-V92 HydrophobicContact CG2-CG1 3.8Å |
| 78 | A | 92.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T74 C75 E82 A83 N89 | T74-A78 VanDerWaalsContact O-CB 3.25Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 2.65Å; C75-A78 PolarHBondContact O-N 2.7Å; A78-E82 PolarHBondContact O-N 3.09Å; A78-A83 PolarHBondContact O-N 2.92Å; A78-N89 WeakPolarHBondContact CA-ND2 3.3Å |
| 79 | Q | 90 | Very high | 92.3 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 176.1 | -75.2 | -179.1 | 68.1 | 0 | 0 | 112.5 | G15 C18 C75 L76 T77 R81 E82 | G15-Q79 VanDerWaalsContact O-CG 3.28Å; G15-Q79 WeakPolarHBondContact O-CG 3.39Å; C18-Q79 PolarHBondContact SG-NE2 2.89Å; C75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 2.97Å; T77-Q79 VanDerWaalsContact C-N 3.34Å; T77-Q79 PolarHBondContact O-N 3.44Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-E82 PolarHBondContact O-N 3.42Å |
| 80 | A | 91.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.9 | -27.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L76 T77 | L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.15Å; T77-A80 PolarHBondContact O-N 3.43Å |
| 81 | R | 89.7 | Confident | 92.2 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3 | 179.8 | -63.4 | 178.7 | 68.7 | -145.2 | -3 | 113.4 | T77 Q79 A83 D86 L88 N89 | T77-R81 WeakPolarHBondContact O-CB 3.41Å; T77-R81 WeakPolarHBondContact O-CG 3.35Å; T77-R81 PolarHBondContact O-N 3.47Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 3.16Å; R81-A83 HydrophobicContact CB-CB 4.28Å; R81-A83 WeakPolarHBondContact O-CB 3.42Å; R81-A83 PolarHBondContact O-N 3.26Å; R81-D86 IonicContact CZ-OD2 3.18Å; R81-D86 IonicContact NH1-OD2 2.87Å; R81-D86 PolarHBondContact NH1-OD2 2.91Å; R81-D86 IonicContact NH2-OD2 2.75Å; R81-D86 PolarHBondContact NH2-OD2 3.31Å; R81-L88 VanDerWaalsContact NH1-CB 3.33Å; R81-N89 PolarHBondContact NH1-OD1 3.45Å |
| 82 | E | 87.5 | Confident | 92.3 | Very high | 180 Ų | 180 | 54.4 Ų | 54.4 | 84% | 0.841 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 26.6 | -175 | -58.8 | 179 | 173.5 | 0 | 0 | 113 | A78 Q79 P84 | A78-E82 PolarHBondContact O-N 3.09Å; Q79-E82 PolarHBondContact O-N 3.42Å; E82-P84 WeakPolarHBondContact O-CD 2.97Å |
| 83 | A | 88.1 | Confident | 92.4 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | trans | -130.7 | 69.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A78 R81 D85 D86 N89 | A78-A83 PolarHBondContact O-N 2.92Å; R81-A83 HydrophobicContact CB-CB 4.28Å; R81-A83 WeakPolarHBondContact O-CB 3.42Å; R81-A83 PolarHBondContact O-N 3.26Å; A83-D85 VanDerWaalsContact C-N 3.28Å; A83-D85 PolarHBondContact O-N 2.73Å; A83-D86 HydrophobicContact CB-CB 4.12Å; A83-D86 WeakPolarHBondContact O-CB 3.36Å; A83-D86 PolarHBondContact O-N 3.25Å; A83-N89 PolarHBondContact O-ND2 3.43Å | ||
| 84 | P | 83 | Confident | 92.4 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.8 | -167.7 | 23.8 | -33.9 | 0 | 0 | 0 | 113.9 | E14 E82 | E14-P84 HydrophobicContact CB-CB 3.94Å; E14-P84 VanDerWaalsContact CB-O 3.27Å; E14-P84 WeakPolarHBondContact CB-O 2.91Å; E82-P84 WeakPolarHBondContact O-CD 2.97Å |
| 85 | D | 86.6 | Confident | 92.5 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3.3 | -178.8 | -72.7 | -51.5 | 0 | 0 | 0 | 114.8 | A83 P87 K126 M130 | A83-D85 VanDerWaalsContact C-N 3.28Å; A83-D85 PolarHBondContact O-N 2.73Å; D85-P87 VanDerWaalsContact O-CD 3.28Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å; D85-K126 WeakPolarHBondContact O-CE 3.5Å; D85-K126 IonicContact OD1-NZ 2.94Å; D85-K126 PolarHBondContact OD1-NZ 2.67Å; D85-M130 HydrophobicContact CB-SD 4.24Å |
| 86 | D | 91.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | trans | -66.8 | 119.3 | 179.6 | -175.1 | -3.9 | 0 | 0 | 0 | 111.4 | R81 A83 L88 N89 | R81-D86 IonicContact CZ-OD2 3.18Å; R81-D86 IonicContact NH1-OD2 2.87Å; R81-D86 PolarHBondContact NH1-OD2 2.91Å; R81-D86 IonicContact NH2-OD2 2.75Å; R81-D86 PolarHBondContact NH2-OD2 3.31Å; A83-D86 HydrophobicContact CB-CB 4.12Å; A83-D86 WeakPolarHBondContact O-CB 3.36Å; A83-D86 PolarHBondContact O-N 3.25Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 VanDerWaalsContact O-N 3.08Å; D86-L88 WeakPolarHBondContact OD1-CB 3.44Å; D86-L88 WeakPolarHBondContact OD1-CG 3.1Å; D86-L88 PolarHBondContact OD1-N 3.49Å; D86-N89 WeakPolarHBondContact O-CB 3.21Å; D86-N89 PolarHBondContact O-N 3.11Å; D86-N89 PolarHBondContact O-ND2 3.2Å | ||
| 87 | P | 93.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -18.6 | 177.5 | -23.4 | 35.4 | 0 | 0 | 0 | 114.1 | D85 N89 Y90 F91 F123 K126 A127 M130 | D85-P87 VanDerWaalsContact O-CD 3.28Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-N89 PolarHBondContact O-N 3.4Å; P87-Y90 WeakPolarHBondContact O-CB 3.37Å; P87-Y90 PolarHBondContact O-N 3.5Å; P87-Y90 VanDerWaalsContact O-N 3.1Å; P87-F91 PolarHBondContact O-N 3.09Å; P87-F91 VanDerWaalsContact O-N 3.09Å; P87-F123 HydrophobicContact CB-CD1 4.49Å; P87-F123 HydrophobicContact CB-CD2 3.59Å; P87-F123 HydrophobicContact CB-CE1 4.43Å; P87-F123 HydrophobicContact CB-CE2 3.55Å; P87-F123 HydrophobicContact CB-CG 4.08Å; P87-F123 HydrophobicContact CB-CZ 3.97Å; P87-F123 HydrophobicContact CG-CE2 4.42Å; P87-F123 WeakPolarHBondContact O-CD2 3.41Å; P87-K126 HydrophobicContact CB-CB 4.22Å; P87-K126 HydrophobicContact CB-CG 4.12Å; P87-K126 HydrophobicContact CG-CG 4.16Å; P87-A127 HydrophobicContact CG-CB 4.4Å; P87-M130 HydrophobicContact CG-CE 3.32Å |
| 88 | L | 94.3 | Very high | 93 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -27.2 | 173.4 | -69 | 176 | 0 | 0 | 0 | 112.6 | R81 D86 Y90 F91 V92 F123 | R81-L88 VanDerWaalsContact NH1-CB 3.33Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 VanDerWaalsContact O-N 3.08Å; D86-L88 WeakPolarHBondContact OD1-CB 3.44Å; D86-L88 WeakPolarHBondContact OD1-CG 3.1Å; D86-L88 PolarHBondContact OD1-N 3.49Å; L88-Y90 VanDerWaalsContact C-N 3.27Å; L88-Y90 PolarHBondContact O-N 3.01Å; L88-F91 WeakPolarHBondContact O-CB 3.18Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 2.89Å; L88-F123 HydrophobicContact CD2-CD2 4.1Å; L88-F123 HydrophobicContact CD2-CE2 3.81Å; L88-F123 HydrophobicContact CG-CE2 4.13Å |
| 89 | N | 94.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.011 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 174.7 | -59.2 | -26.3 | 0 | 0 | 0 | 110.9 | T77 A78 R81 A83 D86 P87 V92 G93 | T77-N89 WeakPolarHBondContact OG1-CB 3.04Å; A78-N89 WeakPolarHBondContact CA-ND2 3.3Å; R81-N89 PolarHBondContact NH1-OD1 3.45Å; A83-N89 PolarHBondContact O-ND2 3.43Å; D86-N89 WeakPolarHBondContact O-CB 3.21Å; D86-N89 PolarHBondContact O-N 3.11Å; D86-N89 PolarHBondContact O-ND2 3.2Å; P87-N89 PolarHBondContact O-N 3.4Å; N89-V92 PolarHBondContact O-N 3.17Å; N89-G93 PolarHBondContact O-N 3.43Å |
| 90 | Y | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -37 | 174.9 | -83.7 | -120.8 | 0 | 0 | 0 | 111.9 | Y9 W10 E14 F70 T74 P87 L88 G93 G94 A122 K126 | Y9-Y90 HydrophobicContact CE1-CE1 4.05Å; Y9-Y90 WeakPolarHBondContact CE1-OH 3.34Å; Y9-Y90 PolarHBondContact OH-OH 3.44Å; W10-Y90 AromaticContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CZ3-CE1 4.16Å; W10-Y90 AromaticContact CZ3-CZ 3.97Å; W10-Y90 VanDerWaalsContact CZ3-OH 3.24Å; W10-Y90 WeakPolarHBondContact CZ3-OH 3.45Å; E14-Y90 VanDerWaalsContact CD-OH 3.26Å; E14-Y90 PolarHBondContact OE1-OH 3.39Å; E14-Y90 WeakPolarHBondContact OE2-CE2 3.48Å; E14-Y90 PolarHBondContact OE2-OH 2.89Å; F70-Y90 HydrophobicContact CE2-CD1 4.38Å; F70-Y90 AromaticContact CZ-CD1 3.67Å; F70-Y90 HydrophobicContact CZ-CD1 3.67Å; F70-Y90 AromaticContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CG 4.37Å; T74-Y90 HydrophobicContact CG2-CD2 4.22Å; T74-Y90 HydrophobicContact CG2-CG 4.26Å; P87-Y90 WeakPolarHBondContact O-CB 3.37Å; P87-Y90 PolarHBondContact O-N 3.5Å; P87-Y90 VanDerWaalsContact O-N 3.1Å; L88-Y90 VanDerWaalsContact C-N 3.27Å; L88-Y90 PolarHBondContact O-N 3.01Å; Y90-G93 PolarHBondContact O-N 3.43Å; Y90-G94 PolarHBondContact O-N 2.78Å; Y90-A122 WeakPolarHBondContact CB-O 3.46Å; Y90-A122 VanDerWaalsContact O-CB 3.24Å; Y90-A122 WeakPolarHBondContact O-CB 3.25Å; Y90-K126 HydrophobicContact CD1-CB 3.82Å; Y90-K126 HydrophobicContact CD2-CB 3.99Å; Y90-K126 HydrophobicContact CD2-CD 4.28Å; Y90-K126 HydrophobicContact CD2-CG 4Å; Y90-K126 HydrophobicContact CE1-CB 4.2Å; Y90-K126 HydrophobicContact CE2-CB 4.37Å; Y90-K126 HydrophobicContact CE2-CD 3.94Å; Y90-K126 HydrophobicContact CE2-CG 4.19Å; Y90-K126 HydrophobicContact CG-CB 3.71Å; Y90-K126 HydrophobicContact CG-CG 4.26Å |
| 91 | F | 96.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 47 Ų | 47 | 25% | 0.254 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 172.2 | -178.3 | -91.6 | 0 | 0 | 0 | 111.7 | P87 L88 G94 C95 L116 G119 F123 | P87-F91 PolarHBondContact O-N 3.09Å; P87-F91 VanDerWaalsContact O-N 3.09Å; L88-F91 WeakPolarHBondContact O-CB 3.18Å; L88-F91 PolarHBondContact O-N 2.85Å; F91-G94 PolarHBondContact O-N 3.22Å; F91-C95 WeakPolarHBondContact O-CB 3.31Å; F91-C95 PolarHBondContact O-N 3.17Å; F91-L116 HydrophobicContact CZ-CD2 4.48Å; F91-G119 WeakPolarHBondContact CA-O 3.38Å; F91-G119 WeakPolarHBondContact CD2-O 3.25Å; F91-G119 WeakPolarHBondContact O-CA 3.41Å; F91-F123 HydrophobicContact CB-CB 4.2Å; F91-F123 HydrophobicContact CB-CD2 4.26Å; F91-F123 HydrophobicContact CD2-CB 4.4Å |
| 92 | V | 96.9 | Very high | 94 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | T73 T77 L88 N89 C95 A96 | T73-V92 HydrophobicContact CG2-CG1 3.79Å; T77-V92 HydrophobicContact CG2-CB 4.19Å; T77-V92 HydrophobicContact CG2-CG1 3.8Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 2.89Å; N89-V92 PolarHBondContact O-N 3.17Å; V92-C95 PolarHBondContact O-N 2.98Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 3.48Å |
| 93 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N89 Y90 A96 S97 | N89-G93 PolarHBondContact O-N 3.43Å; Y90-G93 PolarHBondContact O-N 3.43Å; G93-A96 PolarHBondContact O-N 3.38Å; G93-S97 PolarHBondContact O-N 2.96Å; G93-S97 VanDerWaalsContact O-N 3.09Å |
| 94 | G | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y90 F91 A96 S97 G98 | Y90-G94 PolarHBondContact O-N 2.78Å; F91-G94 PolarHBondContact O-N 3.22Å; G94-A96 PolarHBondContact O-N 3.17Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 PolarHBondContact O-OG 3.12Å; G94-G98 PolarHBondContact O-N 3.08Å |
| 95 | C | 97.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | F91 V92 S97 G98 I99 C115 | F91-C95 WeakPolarHBondContact O-CB 3.31Å; F91-C95 PolarHBondContact O-N 3.17Å; V92-C95 PolarHBondContact O-N 2.98Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.18Å; C95-G98 PolarHBondContact O-N 2.66Å; C95-G98 VanDerWaalsContact O-N 3.1Å; C95-I99 WeakPolarHBondContact O-CG1 3.47Å; C95-I99 PolarHBondContact O-N 3.35Å; C95-C115 HydrophobicContact CB-CB 3.97Å; C95-C115 WeakPolarHBondContact CB-SG 3.4Å; C95-C115 WeakPolarHBondContact SG-CB 3.43Å; C95-C115 CovalentContact SG-SG 2.04Å; C95-C115 PolarHBondContact SG-SG 3.02Å |
| 96 | A | 97.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I69 T73 V92 G93 G94 G98 I99 F100 | I69-A96 HydrophobicContact CG2-CB 3.79Å; T73-A96 HydrophobicContact CG2-CB 3.99Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 3.48Å; G93-A96 PolarHBondContact O-N 3.38Å; G94-A96 PolarHBondContact O-N 3.17Å; A96-G98 VanDerWaalsContact C-N 3.34Å; A96-G98 PolarHBondContact O-N 3.3Å; A96-I99 PolarHBondContact O-N 2.87Å; A96-F100 PolarHBondContact O-N 2.94Å |
| 97 | S | 96.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 175.3 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | G93 G94 C95 F100 L101 | G93-S97 PolarHBondContact O-N 2.96Å; G93-S97 VanDerWaalsContact O-N 3.09Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 PolarHBondContact O-OG 3.12Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.18Å; S97-F100 PolarHBondContact O-N 2.88Å; S97-L101 PolarHBondContact O-N 2.9Å |
| 98 | G | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G94 C95 A96 F100 L101 G102 | G94-G98 PolarHBondContact O-N 3.08Å; C95-G98 PolarHBondContact O-N 2.66Å; C95-G98 VanDerWaalsContact O-N 3.1Å; A96-G98 VanDerWaalsContact C-N 3.34Å; A96-G98 PolarHBondContact O-N 3.3Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 2.9Å; G98-L101 WeakPolarHBondContact O-CB 3.34Å; G98-L101 PolarHBondContact O-N 3.04Å; G98-G102 PolarHBondContact O-N 3.33Å |
| 99 | I | 97.3 | Very high | 96 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 173.3 | -67.2 | 169.5 | 0 | 0 | 0 | 110.3 | C95 A96 L101 G102 A103 C115 | C95-I99 WeakPolarHBondContact O-CG1 3.47Å; C95-I99 PolarHBondContact O-N 3.35Å; A96-I99 PolarHBondContact O-N 2.87Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-G102 PolarHBondContact O-N 3.45Å; I99-G102 VanDerWaalsContact O-N 3.15Å; I99-A103 PolarHBondContact O-N 3.3Å; I99-C115 HydrophobicContact CG1-CB 4.14Å |
| 100 | F | 97.3 | Very high | 96 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.7 | 168.7 | -97.2 | 0 | 0 | 0 | 112 | T62 T65 M66 I69 A96 S97 G98 G102 A103 R104 | T62-F100 HydrophobicContact CG2-CE1 4.27Å; T65-F100 HydrophobicContact CG2-CD1 4.37Å; T65-F100 HydrophobicContact CG2-CD2 4.33Å; T65-F100 HydrophobicContact CG2-CE1 3.7Å; T65-F100 HydrophobicContact CG2-CE2 3.66Å; T65-F100 HydrophobicContact CG2-CZ 3.3Å; M66-F100 HydrophobicContact CG-CD1 3.7Å; M66-F100 HydrophobicContact CG-CE1 4.05Å; I69-F100 HydrophobicContact CD1-CB 3.51Å; I69-F100 HydrophobicContact CD1-CD1 3.94Å; I69-F100 HydrophobicContact CD1-CD2 3.5Å; I69-F100 HydrophobicContact CD1-CE2 4.21Å; I69-F100 HydrophobicContact CD1-CG 3.34Å; A96-F100 PolarHBondContact O-N 2.94Å; S97-F100 PolarHBondContact O-N 2.88Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 2.9Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.97Å; F100-A103 WeakPolarHBondContact O-CB 3.19Å; F100-A103 PolarHBondContact O-N 3.5Å; F100-R104 WeakPolarHBondContact O-CB 3.32Å; F100-R104 PolarHBondContact O-N 3.45Å |
| 101 | L | 95.4 | Very high | 96 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -45 | 175.1 | -178.8 | 61.7 | 0 | 0 | 0 | 111.1 | T62 M66 S97 G98 I99 A103 R104 T105 T110 | T62-L101 HydrophobicContact CG2-CD1 4.05Å; M66-L101 HydrophobicContact CE-CB 4.16Å; M66-L101 HydrophobicContact CE-CD2 4.12Å; M66-L101 HydrophobicContact SD-CB 4.09Å; M66-L101 HydrophobicContact SD-CD1 4.05Å; M66-L101 HydrophobicContact SD-CD2 4.34Å; M66-L101 HydrophobicContact SD-CG 4.39Å; S97-L101 PolarHBondContact O-N 2.9Å; G98-L101 WeakPolarHBondContact O-CB 3.34Å; G98-L101 PolarHBondContact O-N 3.04Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.88Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.39Å; L101-R104 WeakPolarHBondContact O-CB 3.46Å; L101-R104 PolarHBondContact O-N 3.13Å; L101-R104 VanDerWaalsContact O-N 3.16Å; L101-T105 HydrophobicContact CD1-CG2 4.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.39Å; L101-T105 PolarHBondContact O-N 2.85Å; L101-T105 PolarHBondContact O-OG1 2.87Å; L101-T105 VanDerWaalsContact O-OG1 3.09Å; L101-T110 HydrophobicContact CG-CG2 4.44Å |
| 102 | G | 95.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G98 I99 F100 T105 H106 N107 | G98-G102 PolarHBondContact O-N 3.33Å; I99-G102 PolarHBondContact O-N 3.45Å; I99-G102 VanDerWaalsContact O-N 3.15Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.97Å; G102-T105 CarbonylContact O-C 3.58Å; G102-T105 PolarHBondContact O-N 3.31Å; G102-T105 PolarHBondContact O-OG1 3.4Å; G102-H106 WeakPolarHBondContact O-CA 3.35Å; G102-H106 PolarHBondContact O-N 3.12Å; G102-N107 WeakPolarHBondContact CA-O 3.3Å; G102-N107 PolarHBondContact O-N 3.22Å |
| 103 | A | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I99 F100 L101 T105 H106 | I99-A103 PolarHBondContact O-N 3.3Å; F100-A103 WeakPolarHBondContact O-CB 3.19Å; F100-A103 PolarHBondContact O-N 3.5Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.39Å; A103-T105 VanDerWaalsContact C-N 3.31Å; A103-T105 PolarHBondContact O-N 3.43Å; A103-H106 PolarHBondContact O-N 3.1Å; A103-H106 VanDerWaalsContact O-N 3.17Å |
| 104 | R | 94.4 | Very high | 95.9 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 178.2 | 177.4 | 60.5 | -172.3 | 92.7 | -3.8 | 112.8 | T62 F100 L101 | T62-R104 HydrophobicContact CG2-CG 3.88Å; F100-R104 WeakPolarHBondContact O-CB 3.32Å; F100-R104 PolarHBondContact O-N 3.45Å; L101-R104 WeakPolarHBondContact O-CB 3.46Å; L101-R104 PolarHBondContact O-N 3.13Å; L101-R104 VanDerWaalsContact O-N 3.16Å |
| 105 | T | 94.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 2.2 | 176.4 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | L101 G102 A103 N107 | L101-T105 HydrophobicContact CD1-CG2 4.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.39Å; L101-T105 PolarHBondContact O-N 2.85Å; L101-T105 PolarHBondContact O-OG1 2.87Å; L101-T105 VanDerWaalsContact O-OG1 3.09Å; G102-T105 CarbonylContact O-C 3.58Å; G102-T105 PolarHBondContact O-N 3.31Å; G102-T105 PolarHBondContact O-OG1 3.4Å; A103-T105 VanDerWaalsContact C-N 3.31Å; A103-T105 PolarHBondContact O-N 3.43Å; T105-N107 PolarHBondContact O-N 3.41Å |
| 106 | H | 95.9 | Very high | 95.9 | Very high | 172 Ų | 172 | 61.7 Ų | 61.7 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.7 | -176.4 | -56.9 | -80.1 | 0 | 0 | 0 | 113.9 | G102 A103 | G102-H106 WeakPolarHBondContact O-CA 3.35Å; G102-H106 PolarHBondContact O-N 3.12Å; A103-H106 PolarHBondContact O-N 3.1Å; A103-H106 VanDerWaalsContact O-N 3.17Å |
| 107 | N | 95.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | trans | -137.3 | 114.6 | -176.4 | -172.1 | -17.6 | 0 | 0 | 0 | 111.7 | G102 T105 M109 T110 G111 | G102-N107 WeakPolarHBondContact CA-O 3.3Å; G102-N107 PolarHBondContact O-N 3.22Å; T105-N107 PolarHBondContact O-N 3.41Å; N107-M109 VanDerWaalsContact C-N 3.3Å; N107-M109 PolarHBondContact O-N 3.28Å; N107-M109 VanDerWaalsContact OD1-CB 3.32Å; N107-M109 WeakPolarHBondContact OD1-CB 3.28Å; N107-M109 PolarHBondContact OD1-N 3.09Å; N107-T110 PolarHBondContact ND2-OG1 3.2Å; N107-T110 PolarHBondContact O-N 2.97Å; N107-T110 PolarHBondContact OD1-N 3.42Å; N107-G111 PolarHBondContact O-N 3.38Å | ||
| 108 | A | 94.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -35 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G111 T112 | A108-G111 PolarHBondContact O-N 3.35Å; A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.48Å; A108-T112 PolarHBondContact O-OG1 2.86Å |
| 109 | M | 95.6 | Very high | 95.9 | Very high | 134 Ų | 134 | 65.2 Ų | 65.2 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 178 | -171.3 | -176.7 | -66.9 | 0 | 0 | 111.2 | N107 G111 T112 T113 | N107-M109 VanDerWaalsContact C-N 3.3Å; N107-M109 PolarHBondContact O-N 3.28Å; N107-M109 VanDerWaalsContact OD1-CB 3.32Å; N107-M109 WeakPolarHBondContact OD1-CB 3.28Å; N107-M109 PolarHBondContact OD1-N 3.09Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.32Å; M109-T112 PolarHBondContact O-N 2.87Å; M109-T112 PolarHBondContact O-OG1 2.9Å; M109-T112 VanDerWaalsContact O-OG1 3.12Å; M109-T113 HydrophobicContact CG-CG2 4.39Å; M109-T113 WeakPolarHBondContact O-CB 3.41Å; M109-T113 VanDerWaalsContact O-CG2 3.31Å; M109-T113 WeakPolarHBondContact O-CG2 3.36Å; M109-T113 PolarHBondContact O-N 3.43Å; M109-T113 PolarHBondContact O-OG1 2.92Å |
| 110 | T | 94.5 | Very high | 95.9 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 173.3 | -52.4 | 0 | 0 | 0 | 0 | 111 | L101 N107 T113 G114 | L101-T110 HydrophobicContact CG-CG2 4.44Å; N107-T110 PolarHBondContact ND2-OG1 3.2Å; N107-T110 PolarHBondContact O-N 2.97Å; N107-T110 PolarHBondContact OD1-N 3.42Å; T110-T113 WeakPolarHBondContact CA-OG1 3.39Å; T110-T113 PolarHBondContact O-OG1 3.24Å; T110-G114 WeakPolarHBondContact O-CA 3.09Å; T110-G114 PolarHBondContact O-N 2.82Å |
| 111 | G | 94.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 66 Ų | 66 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N107 A108 M109 C115 | N107-G111 PolarHBondContact O-N 3.38Å; A108-G111 PolarHBondContact O-N 3.35Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.32Å; G111-C115 VanDerWaalsContact O-CB 3.31Å; G111-C115 WeakPolarHBondContact O-CB 3.27Å; G111-C115 PolarHBondContact O-N 3.07Å |
| 112 | T | 95.6 | Very high | 95.9 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.4 | -45.3 | -178.9 | 53.2 | 0 | 0 | 0 | 0 | 112 | A108 M109 C115 L116 | A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.48Å; A108-T112 PolarHBondContact O-OG1 2.86Å; M109-T112 PolarHBondContact O-N 2.87Å; M109-T112 PolarHBondContact O-OG1 2.9Å; M109-T112 VanDerWaalsContact O-OG1 3.12Å; T112-C115 PolarHBondContact O-N 3.29Å; T112-L116 PolarHBondContact O-N 3.44Å; T112-L116 VanDerWaalsContact O-N 3.13Å |
| 113 | T | 96.6 | Very high | 96 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.8 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | M109 T110 C115 L116 A117 | M109-T113 HydrophobicContact CG-CG2 4.39Å; M109-T113 WeakPolarHBondContact O-CB 3.41Å; M109-T113 VanDerWaalsContact O-CG2 3.31Å; M109-T113 WeakPolarHBondContact O-CG2 3.36Å; M109-T113 PolarHBondContact O-N 3.43Å; M109-T113 PolarHBondContact O-OG1 2.92Å; T110-T113 WeakPolarHBondContact CA-OG1 3.39Å; T110-T113 PolarHBondContact O-OG1 3.24Å; T113-C115 VanDerWaalsContact C-N 3.32Å; T113-C115 PolarHBondContact O-N 3.39Å; T113-L116 PolarHBondContact O-N 2.89Å; T113-A117 VanDerWaalsContact O-CB 3.24Å; T113-A117 WeakPolarHBondContact O-CB 3.47Å; T113-A117 PolarHBondContact O-N 3.02Å |
| 114 | G | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 69 Ų | 69 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T110 L118 | T110-G114 WeakPolarHBondContact O-CA 3.09Å; T110-G114 PolarHBondContact O-N 2.82Å; G114-L118 WeakPolarHBondContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CG 3.15Å; G114-L118 PolarHBondContact O-N 3.38Å |
| 115 | C | 96.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 177.8 | 158.2 | 0 | 0 | 0 | 0 | 111.9 | C95 I99 G111 T112 T113 G119 | C95-C115 HydrophobicContact CB-CB 3.97Å; C95-C115 WeakPolarHBondContact CB-SG 3.4Å; C95-C115 WeakPolarHBondContact SG-CB 3.43Å; C95-C115 CovalentContact SG-SG 2.04Å; C95-C115 PolarHBondContact SG-SG 3.02Å; I99-C115 HydrophobicContact CG1-CB 4.14Å; G111-C115 VanDerWaalsContact O-CB 3.31Å; G111-C115 WeakPolarHBondContact O-CB 3.27Å; G111-C115 PolarHBondContact O-N 3.07Å; T112-C115 PolarHBondContact O-N 3.29Å; T113-C115 VanDerWaalsContact C-N 3.32Å; T113-C115 PolarHBondContact O-N 3.39Å; C115-G119 VanDerWaalsContact O-CA 3.3Å; C115-G119 WeakPolarHBondContact O-CA 3.47Å; C115-G119 PolarHBondContact O-N 2.94Å |
| 116 | L | 97.5 | Very high | 95.8 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 56% | 0.56 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.9 | -46.5 | -179.3 | -65.7 | 176 | 0 | 0 | 0 | 111.1 | F91 T112 T113 T120 | F91-L116 HydrophobicContact CZ-CD2 4.48Å; T112-L116 PolarHBondContact O-N 3.44Å; T112-L116 VanDerWaalsContact O-N 3.13Å; T113-L116 PolarHBondContact O-N 2.89Å; L116-T120 WeakPolarHBondContact O-CB 3.06Å; L116-T120 PolarHBondContact O-N 3.49Å; L116-T120 PolarHBondContact O-OG1 2.87Å |
| 117 | A | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 44% | 0.438 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.9 | -54 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T113 L121 | T113-A117 VanDerWaalsContact O-CB 3.24Å; T113-A117 WeakPolarHBondContact O-CB 3.47Å; T113-A117 PolarHBondContact O-N 3.02Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.23Å; A117-L121 PolarHBondContact O-N 3.07Å |
| 118 | L | 96.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -36.6 | -178.5 | -62.5 | 176.1 | 0 | 0 | 0 | 111.9 | M66 G114 A122 | M66-L118 HydrophobicContact CE-CD1 3.54Å; G114-L118 WeakPolarHBondContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CG 3.15Å; G114-L118 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3Å |
| 119 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F91 C115 L121 A122 F123 | F91-G119 WeakPolarHBondContact CA-O 3.38Å; F91-G119 WeakPolarHBondContact CD2-O 3.25Å; F91-G119 WeakPolarHBondContact O-CA 3.41Å; C115-G119 VanDerWaalsContact O-CA 3.3Å; C115-G119 WeakPolarHBondContact O-CA 3.47Å; C115-G119 PolarHBondContact O-N 2.94Å; G119-L121 PolarHBondContact O-N 3.45Å; G119-A122 PolarHBondContact O-N 2.93Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.03Å |
| 120 | T | 97.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | L116 A122 F123 F124 | L116-T120 WeakPolarHBondContact O-CB 3.06Å; L116-T120 PolarHBondContact O-N 3.49Å; L116-T120 PolarHBondContact O-OG1 2.87Å; T120-A122 PolarHBondContact O-N 2.97Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 2.96Å; T120-F124 HydrophobicContact CG2-CD2 3.65Å; T120-F124 HydrophobicContact CG2-CE2 3.41Å; T120-F124 VanDerWaalsContact CG2-CE2 3.41Å; T120-F124 WeakPolarHBondContact O-CD2 3.36Å; T120-F124 PolarHBondContact O-N 2.75Å |
| 121 | L | 96.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.2 | -46.5 | 173.9 | -74.8 | 169.7 | 0 | 0 | 0 | 111.5 | A117 G119 F123 F124 T125 | A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.23Å; A117-L121 PolarHBondContact O-N 3.07Å; G119-L121 PolarHBondContact O-N 3.45Å; L121-F123 PolarHBondContact O-N 3.44Å; L121-F124 PolarHBondContact O-N 3.29Å; L121-T125 WeakPolarHBondContact O-CG2 3.38Å; L121-T125 PolarHBondContact O-N 2.87Å |
| 122 | A | 95.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | F70 Y90 L118 G119 T120 T125 K126 | F70-A122 HydrophobicContact CE2-CB 3.8Å; F70-A122 HydrophobicContact CZ-CB 4.41Å; Y90-A122 WeakPolarHBondContact CB-O 3.46Å; Y90-A122 VanDerWaalsContact O-CB 3.24Å; Y90-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3Å; G119-A122 PolarHBondContact O-N 2.93Å; T120-A122 PolarHBondContact O-N 2.97Å; A122-T125 WeakPolarHBondContact CA-OG1 3.46Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-T125 PolarHBondContact O-OG1 2.04Å; A122-K126 PolarHBondContact O-N 3.22Å |
| 123 | F | 96.5 | Very high | 94.4 | Very high | 62 Ų | 62 | 64 Ų | 64 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 172.6 | -178.7 | -85.4 | 0 | 0 | 0 | 110.7 | P87 L88 F91 G119 T120 L121 T125 K126 A127 | P87-F123 HydrophobicContact CB-CD1 4.49Å; P87-F123 HydrophobicContact CB-CD2 3.59Å; P87-F123 HydrophobicContact CB-CE1 4.43Å; P87-F123 HydrophobicContact CB-CE2 3.55Å; P87-F123 HydrophobicContact CB-CG 4.08Å; P87-F123 HydrophobicContact CB-CZ 3.97Å; P87-F123 HydrophobicContact CG-CE2 4.42Å; P87-F123 WeakPolarHBondContact O-CD2 3.41Å; L88-F123 HydrophobicContact CD2-CD2 4.1Å; L88-F123 HydrophobicContact CD2-CE2 3.81Å; L88-F123 HydrophobicContact CG-CE2 4.13Å; F91-F123 HydrophobicContact CB-CB 4.2Å; F91-F123 HydrophobicContact CB-CD2 4.26Å; F91-F123 HydrophobicContact CD2-CB 4.4Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.03Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 2.96Å; L121-F123 PolarHBondContact O-N 3.44Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.03Å; F123-K126 PolarHBondContact O-N 3.08Å; F123-A127 HydrophobicContact CE1-CB 4.42Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 3.25Å |
| 124 | F | 95.7 | Very high | 93.8 | Very high | 107 Ų | 107 | 69 Ų | 69 | 47% | 0.469 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.7 | -29.3 | -179.5 | -76.4 | -60.2 | 0 | 0 | 0 | 113.3 | T120 L121 G128 | T120-F124 HydrophobicContact CG2-CD2 3.65Å; T120-F124 HydrophobicContact CG2-CE2 3.41Å; T120-F124 VanDerWaalsContact CG2-CE2 3.41Å; T120-F124 WeakPolarHBondContact O-CD2 3.36Å; T120-F124 PolarHBondContact O-N 2.75Å; L121-F124 PolarHBondContact O-N 3.29Å; F124-G128 PolarHBondContact O-N 2.74Å |
| 125 | T | 92.9 | Very high | 93 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | L121 A122 F123 K129 | L121-T125 WeakPolarHBondContact O-CG2 3.38Å; L121-T125 PolarHBondContact O-N 2.87Å; A122-T125 WeakPolarHBondContact CA-OG1 3.46Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-T125 PolarHBondContact O-OG1 2.04Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.03Å; T125-K129 WeakPolarHBondContact O-CB 3.42Å; T125-K129 PolarHBondContact O-N 2.68Å |
| 126 | K | 93 | Very high | 92.3 | Very high | 11 Ų | 11 | 82.2 Ų | 82.2 | 5% | 0.048 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 173.7 | 178.9 | 64.5 | 177.4 | -177.4 | 0 | 111.4 | W10 D85 P87 Y90 A122 F123 G128 K129 M130 | W10-K126 HydrophobicContact CZ3-CD 4.27Å; D85-K126 WeakPolarHBondContact O-CE 3.5Å; D85-K126 IonicContact OD1-NZ 2.94Å; D85-K126 PolarHBondContact OD1-NZ 2.67Å; P87-K126 HydrophobicContact CB-CB 4.22Å; P87-K126 HydrophobicContact CB-CG 4.12Å; P87-K126 HydrophobicContact CG-CG 4.16Å; Y90-K126 HydrophobicContact CD1-CB 3.82Å; Y90-K126 HydrophobicContact CD2-CB 3.99Å; Y90-K126 HydrophobicContact CD2-CD 4.28Å; Y90-K126 HydrophobicContact CD2-CG 4Å; Y90-K126 HydrophobicContact CE1-CB 4.2Å; Y90-K126 HydrophobicContact CE2-CB 4.37Å; Y90-K126 HydrophobicContact CE2-CD 3.94Å; Y90-K126 HydrophobicContact CE2-CG 4.19Å; Y90-K126 HydrophobicContact CG-CB 3.71Å; Y90-K126 HydrophobicContact CG-CG 4.26Å; A122-K126 PolarHBondContact O-N 3.22Å; F123-K126 PolarHBondContact O-N 3.08Å; K126-G128 PolarHBondContact O-N 3.05Å; K126-K129 WeakPolarHBondContact O-CB 3.39Å; K126-K129 PolarHBondContact O-N 3.07Å; K126-K129 VanDerWaalsContact O-N 3.15Å; K126-M130 HydrophobicContact CD-CG 4.38Å; K126-M130 WeakPolarHBondContact O-CG 3.49Å; K126-M130 PolarHBondContact O-N 2.97Å |
| 127 | A | 94.1 | Very high | 91.3 | Very high | 17 Ų | 17 | 79.6 Ų | 79.6 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P87 F123 K129 M130 E131 | P87-A127 HydrophobicContact CG-CB 4.4Å; F123-A127 HydrophobicContact CE1-CB 4.42Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 3.25Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.44Å; A127-M130 PolarHBondContact O-N 3.29Å; A127-M130 VanDerWaalsContact O-N 3.16Å; A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.44Å |
| 128 | G | 91.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 81.9 Ų | 81.9 | 7% | 0.072 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F124 K126 G132 W133 | F124-G128 PolarHBondContact O-N 2.74Å; K126-G128 PolarHBondContact O-N 3.05Å; G128-G132 PolarHBondContact O-N 2.86Å; G128-W133 PolarHBondContact O-N 3.4Å |
| 129 | K | 90.1 | Very high | 89.8 | Confident | 118 Ų | 118 | 85.4 Ų | 85.4 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 174 | 177.9 | 61.5 | -179.3 | 178.9 | 0 | 112 | W10 T125 K126 A127 | W10-K129 HydrophobicContact CD2-CD 4.42Å; W10-K129 HydrophobicContact CD2-CG 4.29Å; W10-K129 HydrophobicContact CE3-CG 3.99Å; W10-K129 HydrophobicContact CH2-CB 4.22Å; W10-K129 HydrophobicContact CH2-CG 4.27Å; W10-K129 HydrophobicContact CZ3-CB 4.35Å; W10-K129 HydrophobicContact CZ3-CG 3.99Å; T125-K129 WeakPolarHBondContact O-CB 3.42Å; T125-K129 PolarHBondContact O-N 2.68Å; K126-K129 WeakPolarHBondContact O-CB 3.39Å; K126-K129 PolarHBondContact O-N 3.07Å; K126-K129 VanDerWaalsContact O-N 3.15Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.44Å |
| 130 | M | 90.3 | Very high | 88.8 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.7 | -65.4 | -169.2 | -49.8 | 0 | 0 | 112 | D85 P87 K126 A127 G132 | D85-M130 HydrophobicContact CB-SD 4.24Å; P87-M130 HydrophobicContact CG-CE 3.32Å; K126-M130 HydrophobicContact CD-CG 4.38Å; K126-M130 WeakPolarHBondContact O-CG 3.49Å; K126-M130 PolarHBondContact O-N 2.97Å; A127-M130 PolarHBondContact O-N 3.29Å; A127-M130 VanDerWaalsContact O-N 3.16Å; M130-G132 PolarHBondContact O-N 3.48Å |
| 131 | E | 91.5 | Very high | 87.4 | Confident | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -2.2 | 178.9 | -63.9 | -63.7 | 165.1 | 0 | 0 | 113.5 | A127 W133 | A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.44Å; E131-W133 VanDerWaalsContact C-N 3.34Å; E131-W133 HydrophobicContact CB-CG 4.45Å; E131-W133 PolarHBondContact O-N 3.02Å |
| 132 | G | 88.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 54% | 0.536 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 27.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G128 M130 R134 | G128-G132 PolarHBondContact O-N 2.86Å; M130-G132 PolarHBondContact O-N 3.48Å; G132-R134 PolarHBondContact O-N 3.26Å |
| 133 | W | 89.4 | Confident | 86.5 | Confident | 161 Ų | 161 | 107.3 Ų | 107.3 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | trans | -59.8 | 131.9 | 176.7 | -67.3 | 7.6 | 0 | 0 | 0 | 110.8 | G128 E131 | G128-W133 PolarHBondContact O-N 3.4Å; E131-W133 VanDerWaalsContact C-N 3.34Å; E131-W133 HydrophobicContact CB-CG 4.45Å; E131-W133 PolarHBondContact O-N 3.02Å | ||
| 134 | R | 83.6 | Confident | 85.9 | Confident | 185 Ų | 185 | 109.8 Ų | 109.8 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | trans | -107.5 | 103.2 | 177.7 | -68.5 | -176.5 | 170.5 | -176.5 | -2.7 | 109.5 | G132 T136 | G132-R134 PolarHBondContact O-N 3.26Å; R134-T136 VanDerWaalsContact C-N 3.34Å | ||
| 135 | L | 79.4 | Confident | 85.3 | Confident | 173 Ų | 173 | 109.9 Ų | 109.9 | 91% | 0.906 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -68.9 | -35.9 | 175.3 | -72 | 168.6 | 0 | 0 | 0 | 112 | ||
| 136 | T | 82.1 | Confident | 84.9 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -130.9 | 138 | 174.7 | 59.7 | 0 | 0 | 0 | 0 | 108.2 | R134 | R134-T136 VanDerWaalsContact C-N 3.34Š|
| 137 | G | 77.4 | Confident | 84.3 | Confident | 51 Ų | 51 | 118.8 Ų | 118.8 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | trans | -168 | 160.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | P | 81.7 | Confident | 83.6 | Confident | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.1 | 173.2 | 25.6 | -32.6 | 0 | 0 | 0 | 108.7 | K140 | P138-K140 PolarHBondContact O-N 3.31Å; P138-K140 VanDerWaalsContact O-N 3.16Å |
| 139 | P | 80.8 | Confident | 83 | Confident | 132 Ų | 132 | 135.2 Ų | 135.2 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.2 | 176.5 | 23.8 | -32.3 | 0 | 0 | 0 | 108.3 | ||
| 140 | K | 76.9 | Confident | 82.4 | Confident | 173 Ų | 173 | 136.7 Ų | 136.7 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -92 | 131.7 | 170.9 | -67.8 | -175.3 | 176.2 | -177.9 | 0 | 107.2 | P138 | P138-K140 PolarHBondContact O-N 3.31Å; P138-K140 VanDerWaalsContact O-N 3.16Å |
| 141 | L | 67 | Low | 81.7 | Confident | 250 Ų | 250 | 140.8 Ų | 140.8 | 100% | 1.309 | 76% | 0.755 | S | S | * | * | trans | -71.4 | 0 | 172 | -69.3 | 162.4 | 0 | 0 | 0 | 110.4 |
Retrieved 141 of 141 residues in 244.2 ms
(Link to these results)