| 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 | 64 | Low | 83.4 | Confident | 137 Ų | 137 | 100.3 Ų | 100.3 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | 0 | -70.8 | 0 | -52.4 | -157.7 | 104.6 | 0 | 0 | 114.4 | V3 E4 L5 C79 S82 | M1-V3 PolarHBondContact O-N 3.43Å; M1-E4 WeakPolarHBondContact CA-OE2 3.29Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.95Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-C79 WeakPolarHBondContact CE-O 3.49Å; M1-S82 WeakPolarHBondContact CE-OXT 3.03Å | |||
| 2 | K | 71.5 | Confident | 84 | Confident | 183 Ų | 183 | 92.8 Ų | 92.8 | 80% | 0.796 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58 | -43 | -176 | -171.8 | 177.4 | 179.3 | -179.5 | 0 | 113.5 | S6 | K2-S6 PolarHBondContact O-N 2.8Å; K2-S6 VanDerWaalsContact O-N 3.14Å; K2-S6 PolarHBondContact O-OG 3.3Å |
| 3 | V | 73.7 | Confident | 84.6 | Confident | 120 Ų | 120 | 89.1 Ų | 89.1 | 73% | 0.727 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68 | -42.8 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | M1 L5 S6 H7 | M1-V3 PolarHBondContact O-N 3.43Å; V3-L5 PolarHBondContact O-N 3.38Å; V3-S6 PolarHBondContact O-N 2.65Å; V3-H7 VanDerWaalsContact O-CB 3.29Å; V3-H7 WeakPolarHBondContact O-CB 3.24Å; V3-H7 PolarHBondContact O-N 3.28Å |
| 4 | E | 79.1 | Confident | 85.1 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | -179.7 | -67.6 | 153.6 | 160.5 | 0 | 0 | 111.9 | M1 H7 S8 | M1-E4 WeakPolarHBondContact CA-OE2 3.29Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.95Å; E4-H7 PolarHBondContact O-N 2.87Å; E4-S8 WeakPolarHBondContact O-CB 3.09Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 3.29Å |
| 5 | L | 85.8 | Confident | 85.4 | Confident | 47 Ų | 47 | 94 Ų | 94 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 176.1 | 178.8 | 60.9 | 0 | 0 | 0 | 111.1 | M1 V3 H7 S8 I9 C75 I76 C79 | M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.08Å; V3-L5 PolarHBondContact O-N 3.38Å; L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.28Å; L5-S8 PolarHBondContact O-N 3.45Å; L5-I9 HydrophobicContact CD1-CD1 3.81Å; L5-I9 HydrophobicContact CD1-CG1 4.09Å; L5-I9 HydrophobicContact CG-CD1 3.85Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.47Å; L5-C75 HydrophobicContact CD1-CB 4.44Å; L5-I76 HydrophobicContact CD1-CB 4.46Å; L5-I76 HydrophobicContact CD1-CG1 3.95Å; L5-I76 HydrophobicContact CD2-CG1 4.42Å; L5-C79 HydrophobicContact CB-CB 4.46Å; L5-C79 HydrophobicContact CD1-CB 4.05Å |
| 6 | S | 87.2 | Confident | 85.7 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.7 | -65.4 | 0 | 0 | 0 | 0 | 112 | K2 V3 Y10 | K2-S6 PolarHBondContact O-N 2.8Å; K2-S6 VanDerWaalsContact O-N 3.14Å; K2-S6 PolarHBondContact O-OG 3.3Å; V3-S6 PolarHBondContact O-N 2.65Å; S6-Y10 WeakPolarHBondContact O-CB 3.34Å; S6-Y10 PolarHBondContact O-N 3.25Å |
| 7 | H | 89.1 | Confident | 85.8 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.3 | -177 | -103.8 | 0 | 0 | 0 | 112.2 | V3 E4 L5 Y10 I11 | V3-H7 VanDerWaalsContact O-CB 3.29Å; V3-H7 WeakPolarHBondContact O-CB 3.24Å; V3-H7 PolarHBondContact O-N 3.28Å; E4-H7 PolarHBondContact O-N 2.87Å; L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.28Å; H7-Y10 WeakPolarHBondContact O-CB 3.46Å; H7-Y10 PolarHBondContact O-N 3.27Å; H7-I11 WeakPolarHBondContact CE1-CD1 3.43Å; H7-I11 WeakPolarHBondContact O-CG1 3.46Å; H7-I11 PolarHBondContact O-N 3.49Å |
| 8 | S | 89.4 | Confident | 86.1 | Confident | 42 Ų | 42 | 87.7 Ų | 87.7 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | E4 L5 Y10 I11 C12 | E4-S8 WeakPolarHBondContact O-CB 3.09Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 3.29Å; L5-S8 PolarHBondContact O-N 3.45Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; S8-Y10 PolarHBondContact O-N 2.85Å; S8-I11 PolarHBondContact O-N 3.23Å; S8-C12 VanDerWaalsContact O-CB 3.26Å; S8-C12 WeakPolarHBondContact O-CB 3.46Å; S8-C12 PolarHBondContact O-N 3.39Å |
| 9 | I | 93 | Very high | 86.2 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175 | -70.6 | 172.3 | 0 | 0 | 0 | 110.9 | L5 C12 T13 V72 C75 I76 | L5-I9 HydrophobicContact CD1-CD1 3.81Å; L5-I9 HydrophobicContact CD1-CG1 4.09Å; L5-I9 HydrophobicContact CG-CD1 3.85Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.47Å; I9-C12 PolarHBondContact O-N 3.12Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.07Å; I9-T13 PolarHBondContact O-OG1 3.42Å; I9-V72 HydrophobicContact CD1-CG1 4.21Å; I9-V72 HydrophobicContact CG1-CG1 4.29Å; I9-V72 HydrophobicContact CG2-CG2 4.23Å; I9-C75 HydrophobicContact CG1-CB 4.09Å; I9-I76 HydrophobicContact CD1-CG1 4.42Å |
| 10 | Y | 91.9 | Very high | 86.2 | Confident | 157 Ų | 157 | 85.5 Ų | 85.5 | 62% | 0.616 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.2 | -49.1 | 177.5 | 175.2 | -98.1 | 0 | 0 | 0 | 111.6 | S6 H7 S8 T13 Y14 | S6-Y10 WeakPolarHBondContact O-CB 3.34Å; S6-Y10 PolarHBondContact O-N 3.25Å; H7-Y10 WeakPolarHBondContact O-CB 3.46Å; H7-Y10 PolarHBondContact O-N 3.27Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; S8-Y10 PolarHBondContact O-N 2.85Å; Y10-T13 PolarHBondContact O-N 3.16Å; Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 3.27Å |
| 11 | I | 92.4 | Very high | 86.4 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 177.2 | -72 | 177.5 | 0 | 0 | 0 | 111.1 | H7 S8 T13 Y14 H15 | H7-I11 WeakPolarHBondContact CE1-CD1 3.43Å; H7-I11 WeakPolarHBondContact O-CG1 3.46Å; H7-I11 PolarHBondContact O-N 3.49Å; S8-I11 PolarHBondContact O-N 3.23Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.11Å; I11-Y14 PolarHBondContact O-N 3.09Å; I11-H15 PolarHBondContact O-CD2 3.45Å; I11-H15 VanDerWaalsContact O-CD2 3.25Å; I11-H15 PolarHBondContact O-N 3.32Å |
| 12 | C | 91.2 | Very high | 87.6 | Confident | 11 Ų | 11 | 83.9 Ų | 83.9 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.8 | -50.3 | 175.8 | 158 | 0 | 0 | 0 | 0 | 111.6 | S8 I9 Y14 H15 H16 C71 | S8-C12 VanDerWaalsContact O-CB 3.26Å; S8-C12 WeakPolarHBondContact O-CB 3.46Å; S8-C12 PolarHBondContact O-N 3.39Å; I9-C12 PolarHBondContact O-N 3.12Å; C12-Y14 PolarHBondContact O-N 3.31Å; C12-H15 PolarHBondContact O-N 3Å; C12-H16 VanDerWaalsContact O-CB 3.23Å; C12-H16 WeakPolarHBondContact O-CB 3.3Å; C12-H16 PolarHBondContact O-N 3.44Å; C12-C71 HydrophobicContact CB-CB 4.49Å; C12-C71 WeakPolarHBondContact CB-SG 3.39Å; C12-C71 WeakPolarHBondContact SG-CB 3.38Å; C12-C71 CovalentContact SG-SG 2.01Å; C12-C71 PolarHBondContact SG-SG 3.26Å |
| 13 | T | 91.2 | Very high | 88.3 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.3 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | I9 Y10 I11 H16 N17 L68 | I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.07Å; I9-T13 PolarHBondContact O-OG1 3.42Å; Y10-T13 PolarHBondContact O-N 3.16Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.11Å; T13-H16 PolarHBondContact O-N 2.8Å; T13-N17 VanDerWaalsContact O-CG 3.32Å; T13-N17 PolarHBondContact O-N 2.93Å; T13-N17 PolarHBondContact O-ND2 3.37Å; T13-L68 HydrophobicContact CG2-CD1 4.14Å |
| 14 | Y | 91.4 | Very high | 89 | Confident | 140 Ų | 140 | 75.2 Ų | 75.2 | 55% | 0.549 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 178.2 | 177.2 | -95.1 | 0 | 0 | 0 | 111.9 | Y10 I11 C12 H16 N17 D18 | Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 3.27Å; I11-Y14 PolarHBondContact O-N 3.09Å; C12-Y14 PolarHBondContact O-N 3.31Å; Y14-H16 VanDerWaalsContact C-N 3.32Å; Y14-H16 PolarHBondContact O-N 2.9Å; Y14-N17 PolarHBondContact O-N 3.45Å; Y14-D18 PolarHBondContact O-N 2.98Å |
| 15 | H | 90.5 | Very high | 89.5 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 178.5 | -76 | -67.2 | 0 | 0 | 0 | 112.7 | I11 C12 D18 W19 | I11-H15 PolarHBondContact O-CD2 3.45Å; I11-H15 VanDerWaalsContact O-CD2 3.25Å; I11-H15 PolarHBondContact O-N 3.32Å; C12-H15 PolarHBondContact O-N 3Å; H15-D18 PolarHBondContact O-N 3.39Å; H15-W19 WeakPolarHBondContact O-CB 3.31Å; H15-W19 PolarHBondContact O-N 3.5Å |
| 16 | H | 89.8 | Confident | 89.6 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 174.4 | -177.4 | -85.1 | 0 | 0 | 0 | 111.7 | C12 T13 Y14 W19 L20 S64 S67 L68 | C12-H16 VanDerWaalsContact O-CB 3.23Å; C12-H16 WeakPolarHBondContact O-CB 3.3Å; C12-H16 PolarHBondContact O-N 3.44Å; T13-H16 PolarHBondContact O-N 2.8Å; Y14-H16 VanDerWaalsContact C-N 3.32Å; Y14-H16 PolarHBondContact O-N 2.9Å; H16-W19 PolarHBondContact O-N 3.31Å; H16-L20 WeakPolarHBondContact O-CB 3.29Å; H16-L20 PolarHBondContact O-N 3.2Å; H16-S64 PolarHBondContact CE1-O 2.89Å; H16-S64 PolarHBondContact NE2-O 3.27Å; H16-S67 PolarHBondContact NE2-OG 3.01Å; H16-L68 HydrophobicContact CB-CD1 4.08Å; H16-L68 PolarHBondContact NE2-N 3.4Å |
| 17 | N | 88 | Confident | 89.4 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.8 | -73.6 | -33.6 | 0 | 0 | 0 | 112.6 | T13 Y14 W19 L20 V21 | T13-N17 VanDerWaalsContact O-CG 3.32Å; T13-N17 PolarHBondContact O-N 2.93Å; T13-N17 PolarHBondContact O-ND2 3.37Å; Y14-N17 PolarHBondContact O-N 3.45Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 2.92Å; N17-L20 PolarHBondContact O-N 2.97Å; N17-V21 WeakPolarHBondContact O-CG2 3.39Å; N17-V21 PolarHBondContact O-N 3.45Å |
| 18 | D | 90 | Very high | 89.2 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.6 | 177 | 58.8 | 0 | 0 | 0 | 111.5 | Y14 H15 K22 | Y14-D18 PolarHBondContact O-N 2.98Å; H15-D18 PolarHBondContact O-N 3.39Å; D18-K22 WeakPolarHBondContact O-CG 3.15Å; D18-K22 PolarHBondContact O-N 2.96Å; D18-K22 VanDerWaalsContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.4Å; D18-K22 PolarHBondContact OD1-NZ 2.89Å; D18-K22 WeakPolarHBondContact OD2-CE 3.24Å; D18-K22 IonicContact OD2-NZ 3.82Å; D18-K22 PolarHBondContact OD2-NZ 3.42Å |
| 19 | W | 87.9 | Confident | 89.1 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 39% | 0.386 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.8 | 173 | 82.9 | 0 | 0 | 0 | 112.3 | H15 H16 N17 K22 L23 F63 | H15-W19 WeakPolarHBondContact O-CB 3.31Å; H15-W19 PolarHBondContact O-N 3.5Å; H16-W19 PolarHBondContact O-N 3.31Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 2.92Å; W19-K22 WeakPolarHBondContact O-CB 3.47Å; W19-K22 PolarHBondContact O-N 2.92Å; W19-L23 HydrophobicContact CH2-CD1 3.6Å; W19-L23 HydrophobicContact CZ2-CD1 3.47Å; W19-L23 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L23 PolarHBondContact O-N 3.33Å; W19-F63 AromaticContact CH2-CD1 3.57Å; W19-F63 HydrophobicContact CH2-CD1 3.57Å; W19-F63 AromaticContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CZ 4.49Å; W19-F63 AromaticContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ3-CD1 4.15Å; W19-F63 HydrophobicContact CZ3-CE1 4.02Å |
| 20 | L | 87.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 179.6 | 179.7 | 60.8 | 0 | 0 | 0 | 111.9 | H16 N17 K22 L23 I24 I60 | H16-L20 WeakPolarHBondContact O-CB 3.29Å; H16-L20 PolarHBondContact O-N 3.2Å; N17-L20 PolarHBondContact O-N 2.97Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CD1-CD1 4.21Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.06Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.82Å; L20-I60 HydrophobicContact CD1-CG2 3.99Å |
| 21 | V | 88.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | N17 L23 I24 I25 | N17-V21 WeakPolarHBondContact O-CG2 3.39Å; N17-V21 PolarHBondContact O-N 3.45Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 3.13Å; V21-I24 PolarHBondContact O-N 3.29Å; V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3Å |
| 22 | K | 90.4 | Very high | 86.8 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.4 | -72.7 | 168.1 | -180 | 166.1 | 0 | 112.1 | D18 W19 L20 I25 N26 | D18-K22 WeakPolarHBondContact O-CG 3.15Å; D18-K22 PolarHBondContact O-N 2.96Å; D18-K22 VanDerWaalsContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.4Å; D18-K22 PolarHBondContact OD1-NZ 2.89Å; D18-K22 WeakPolarHBondContact OD2-CE 3.24Å; D18-K22 IonicContact OD2-NZ 3.82Å; D18-K22 PolarHBondContact OD2-NZ 3.42Å; W19-K22 WeakPolarHBondContact O-CB 3.47Å; W19-K22 PolarHBondContact O-N 2.92Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.2Å; K22-I25 PolarHBondContact O-N 3.45Å; K22-N26 WeakPolarHBondContact O-CB 3.29Å; K22-N26 VanDerWaalsContact O-CG 3.27Å; K22-N26 PolarHBondContact O-N 3.37Å; K22-N26 PolarHBondContact O-ND2 2.88Å |
| 23 | L | 86.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.277 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.6 | -174 | 142.4 | 0 | 0 | 0 | 111.8 | W19 L20 V21 I25 N26 Y27 I60 | W19-L23 HydrophobicContact CH2-CD1 3.6Å; W19-L23 HydrophobicContact CZ2-CD1 3.47Å; W19-L23 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L23 PolarHBondContact O-N 3.33Å; L20-L23 PolarHBondContact O-N 2.93Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 3.13Å; L23-I25 PolarHBondContact O-N 3.26Å; L23-N26 PolarHBondContact O-N 3.47Å; L23-Y27 WeakPolarHBondContact O-CB 3.07Å; L23-Y27 PolarHBondContact O-N 2.82Å; L23-I60 HydrophobicContact CD2-CB 4.46Å; L23-I60 HydrophobicContact CD2-CD1 4.04Å; L23-I60 HydrophobicContact CD2-CG1 3.92Å; L23-I60 HydrophobicContact CD2-CG2 3.76Å |
| 24 | I | 88.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 35% | 0.349 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 177.3 | -68.9 | 169.9 | 0 | 0 | 0 | 111 | L20 V21 Y27 I28 I60 | L20-I24 HydrophobicContact CD1-CD1 4.21Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.06Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.82Å; V21-I24 PolarHBondContact O-N 3.29Å; I24-Y27 PolarHBondContact O-N 2.9Å; I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.3Å; I24-I28 PolarHBondContact O-N 3.16Å; I24-I60 HydrophobicContact CG1-CG2 4.21Å |
| 25 | I | 90.6 | Very high | 82.8 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 43% | 0.431 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 177.6 | -70.8 | 167.3 | 0 | 0 | 0 | 110.6 | V21 K22 L23 Y27 I28 I29 | V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3Å; K22-I25 PolarHBondContact O-N 3.45Å; L23-I25 PolarHBondContact O-N 3.26Å; I25-Y27 VanDerWaalsContact C-N 3.31Å; I25-Y27 PolarHBondContact O-N 3.44Å; I25-I28 PolarHBondContact O-N 3.46Å; I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.34Å; I25-I29 PolarHBondContact O-N 3.28Å |
| 26 | N | 86.7 | Confident | 81 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 177.9 | -72.2 | -16.5 | 0 | 0 | 0 | 111.6 | K22 L23 I29 E30 | K22-N26 WeakPolarHBondContact O-CB 3.29Å; K22-N26 VanDerWaalsContact O-CG 3.27Å; K22-N26 PolarHBondContact O-N 3.37Å; K22-N26 PolarHBondContact O-ND2 2.88Å; L23-N26 PolarHBondContact O-N 3.47Å; N26-I29 PolarHBondContact O-N 3.43Å; N26-E30 WeakPolarHBondContact O-CB 3.36Å; N26-E30 PolarHBondContact O-N 3.41Å |
| 27 | Y | 83.4 | Confident | 79.2 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 18% | 0.176 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 175.1 | 176.3 | -109.6 | 0 | 0 | 0 | 112.3 | L23 I24 I25 I29 E30 L31 N56 I60 | L23-Y27 WeakPolarHBondContact O-CB 3.07Å; L23-Y27 PolarHBondContact O-N 2.82Å; I24-Y27 PolarHBondContact O-N 2.9Å; I25-Y27 VanDerWaalsContact C-N 3.31Å; I25-Y27 PolarHBondContact O-N 3.44Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.34Å; Y27-E30 PolarHBondContact O-N 2.89Å; Y27-L31 HydrophobicContact CD1-CD1 3.93Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4Å; Y27-L31 HydrophobicContact CE2-CD1 4.31Å; Y27-L31 HydrophobicContact CE2-CD2 4.25Å; Y27-L31 HydrophobicContact CE2-CG 4.09Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 2.8Å; Y27-N56 HydrophobicContact CE1-CB 4.5Å; Y27-N56 HydrophobicContact CE2-CB 4.21Å; Y27-N56 WeakPolarHBondContact OH-CB 3.49Å; Y27-N56 PolarHBondContact OH-ND2 3.28Å; Y27-N56 VanDerWaalsContact OH-ND2 3.13Å; Y27-I60 HydrophobicContact CD1-CD1 3.95Å; Y27-I60 HydrophobicContact CD2-CD1 4.39Å; Y27-I60 HydrophobicContact CE1-CD1 4.33Å; Y27-I60 HydrophobicContact CG-CD1 3.98Å |
| 28 | I | 84.3 | Confident | 77.4 | Confident | 74 Ų | 74 | 95 Ų | 95 | 38% | 0.379 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.9 | -69.8 | 168.1 | 0 | 0 | 0 | 111.2 | I24 I25 L31 R32 | I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.3Å; I24-I28 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.46Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.16Å |
| 29 | I | 87.3 | Confident | 75.4 | Confident | 80 Ų | 80 | 96 Ų | 96 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.4 | -69.8 | 166.8 | 0 | 0 | 0 | 109.8 | I25 N26 Y27 L31 R32 H33 | I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.34Å; I25-I29 PolarHBondContact O-N 3.28Å; N26-I29 PolarHBondContact O-N 3.43Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.34Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.95Å; I29-R32 WeakPolarHBondContact O-CB 3.39Å; I29-R32 PolarHBondContact O-N 3.27Å; I29-R32 VanDerWaalsContact O-N 3.11Å; I29-H33 PolarHBondContact O-CD2 2.92Å; I29-H33 PolarHBondContact O-N 2.95Å |
| 30 | E | 79.8 | Confident | 73.6 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -42.2 | 177.8 | -169.8 | 173.7 | 177.8 | 0 | 0 | 111.8 | N26 Y27 R32 H33 L34 | N26-E30 WeakPolarHBondContact O-CB 3.36Å; N26-E30 PolarHBondContact O-N 3.41Å; Y27-E30 PolarHBondContact O-N 2.89Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.41Å; E30-H33 PolarHBondContact O-N 3.22Å; E30-H33 VanDerWaalsContact O-N 3.07Å; E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.42Å; E30-L34 PolarHBondContact O-N 2.89Å; E30-L34 VanDerWaalsContact O-N 3.09Å |
| 31 | L | 73.7 | Confident | 71.9 | Confident | 40 Ų | 40 | 103.8 Ų | 103.8 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -59 | -36.9 | 175 | -78.4 | 179.9 | 0 | 0 | 0 | 113.5 | Y27 I28 I29 H33 L34 T35 | Y27-L31 HydrophobicContact CD1-CD1 3.93Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4Å; Y27-L31 HydrophobicContact CE2-CD1 4.31Å; Y27-L31 HydrophobicContact CE2-CD2 4.25Å; Y27-L31 HydrophobicContact CE2-CG 4.09Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 2.8Å; I28-L31 PolarHBondContact O-N 2.98Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.95Å; L31-H33 VanDerWaalsContact C-N 3.31Å; L31-L34 PolarHBondContact O-N 2.7Å; L31-T35 PolarHBondContact O-N 2.88Å; L31-T35 PolarHBondContact O-OG1 2.68Å |
| 32 | R | 75.4 | Confident | 70.1 | Confident | 189 Ų | 189 | 105 Ų | 105 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -34.2 | 176.2 | -69.8 | 177.8 | -175.7 | -164 | 1.6 | 111.8 | I28 I29 E30 L34 T35 | I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.16Å; I29-R32 WeakPolarHBondContact O-CB 3.39Å; I29-R32 PolarHBondContact O-N 3.27Å; I29-R32 VanDerWaalsContact O-N 3.11Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.41Å; R32-L34 VanDerWaalsContact C-N 3.31Å; R32-T35 WeakPolarHBondContact CA-OG1 3.26Å; R32-T35 PolarHBondContact O-N 3.32Å; R32-T35 PolarHBondContact O-OG1 2.81Å |
| 33 | H | 71.4 | Confident | 68.3 | Low | 142 Ų | 142 | 104.8 Ų | 104.8 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.3 | -23.8 | 175.2 | -68.3 | -65.7 | 0 | 0 | 0 | 113 | I29 E30 L31 P36 | I29-H33 PolarHBondContact O-CD2 2.92Å; I29-H33 PolarHBondContact O-N 2.95Å; E30-H33 PolarHBondContact O-N 3.22Å; E30-H33 VanDerWaalsContact O-N 3.07Å; L31-H33 VanDerWaalsContact C-N 3.31Å; H33-P36 VanDerWaalsContact O-CD 3.26Å; H33-P36 WeakPolarHBondContact O-CD 3.47Å |
| 34 | L | 61.2 | Low | 66.8 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.4 | 175.8 | -65.2 | 173.5 | 0 | 0 | 0 | 114.2 | E30 L31 R32 P36 | E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.42Å; E30-L34 PolarHBondContact O-N 2.89Å; E30-L34 VanDerWaalsContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 2.7Å; R32-L34 VanDerWaalsContact C-N 3.31Å; L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.29Å |
| 35 | T | 58.3 | Low | 65 | Low | 85 Ų | 85 | 108.7 Ų | 108.7 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | trans | -89.3 | 22.1 | 177.2 | 3.6 | 0 | 0 | 0 | 0 | 117.6 | L31 R32 | L31-T35 PolarHBondContact O-N 2.88Å; L31-T35 PolarHBondContact O-OG1 2.68Å; R32-T35 WeakPolarHBondContact CA-OG1 3.26Å; R32-T35 PolarHBondContact O-N 3.32Å; R32-T35 PolarHBondContact O-OG1 2.81Å | ||
| 36 | P | 51.6 | Low | 63.2 | Low | 88 Ų | 88 | 107.4 Ų | 107.4 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | trans | -85.8 | 129.4 | 168 | 33.1 | -25.1 | 0 | 0 | 0 | 108.8 | H33 L34 | H33-P36 VanDerWaalsContact O-CD 3.26Å; H33-P36 WeakPolarHBondContact O-CD 3.47Å; L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.29Å | ||
| 37 | K | 52 | Low | 61.7 | Low | 186 Ų | 186 | 109.4 Ų | 109.4 | 81% | 0.809 | 58% | 0.584 | S | S | * | * | trans | 95.1 | 55 | 174.3 | -48.1 | 168.8 | -175.3 | -177.9 | 0 | 116.3 | S39 | K37-S39 PolarHBondContact O-N 3.5Š| ||
| 38 | C | 51 | Low | 60.3 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 91% | 0.912 | 60% | 0.602 | S | S | * | * | trans | -86.2 | 52.6 | 140.4 | -76.1 | 0 | 0 | 0 | 0 | 109.7 | E40 | C38-E40 PolarHBondContact O-N 3.35Š| ||
| 39 | S | 48.3 | Very low | 59 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -85 | 96.3 | 156.9 | 54.2 | 0 | 0 | 0 | 0 | 105.9 | K37 | K37-S39 PolarHBondContact O-N 3.5Š|
| 40 | E | 48.9 | Very low | 57.6 | Low | 180 Ų | 180 | 116.7 Ų | 116.7 | 84% | 0.841 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 46.6 | 82 | 156.7 | -58.1 | -179.6 | -178 | 0 | 0 | 116.7 | C38 | C38-E40 PolarHBondContact O-N 3.35Š|
| 41 | T | 53.2 | Low | 56.9 | Low | 114 Ų | 114 | 114 Ų | 114 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -176.6 | 134.1 | 141 | 15.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | N | 49.9 | Very low | 56.8 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | trans | 83.4 | 96.6 | 153.2 | -54.6 | -18.5 | 0 | 0 | 0 | 118 | S44 L45 S46 | N42-S44 PolarHBondContact O-N 2.97Å; N42-L45 HydrophobicContact CB-CB 4.11Å; N42-L45 VanDerWaalsContact O-CB 3.29Å; N42-L45 WeakPolarHBondContact O-CB 3.42Å; N42-L45 PolarHBondContact O-N 3.47Å; N42-S46 PolarHBondContact O-N 3.45Å | ||
| 43 | S | 53.7 | Low | 56.8 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -51.1 | -29.6 | 161.2 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | L45 S46 H47 | S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.3Å; S43-S46 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-OG 2.87Å; S43-H47 PolarHBondContact O-N 3.18Å |
| 44 | S | 54.3 | Low | 57.3 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.4 | -35.1 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | N42 S46 H47 H48 | N42-S44 PolarHBondContact O-N 2.97Å; S44-S46 VanDerWaalsContact C-N 3.34Å; S44-H47 PolarHBondContact O-N 2.66Å; S44-H48 PolarHBondContact O-N 3.07Å |
| 45 | L | 50 | Low | 58.3 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.1 | -34.3 | 175.3 | -164 | 75.6 | 0 | 0 | 0 | 110.8 | N42 S43 H47 H48 F49 | N42-L45 HydrophobicContact CB-CB 4.11Å; N42-L45 VanDerWaalsContact O-CB 3.29Å; N42-L45 WeakPolarHBondContact O-CB 3.42Å; N42-L45 PolarHBondContact O-N 3.47Å; S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.3Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.48Å; L45-H48 PolarHBondContact O-N 3.24Å; L45-F49 WeakPolarHBondContact O-CB 3.35Å; L45-F49 PolarHBondContact O-N 2.89Å |
| 46 | S | 53.4 | Low | 59.1 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -41.6 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | N42 S43 S44 F49 Y50 | N42-S46 PolarHBondContact O-N 3.45Å; S43-S46 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-OG 2.87Å; S44-S46 VanDerWaalsContact C-N 3.34Å; S46-F49 PolarHBondContact O-N 3.41Å; S46-Y50 WeakPolarHBondContact O-CD2 3.38Å; S46-Y50 PolarHBondContact O-N 2.99Å |
| 47 | H | 55.7 | Low | 60.6 | Low | 145 Ų | 145 | 107 Ų | 107 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 176.3 | -166.6 | -86.9 | 0 | 0 | 0 | 111.8 | S43 S44 L45 F49 S51 | S43-H47 PolarHBondContact O-N 3.18Å; S44-H47 PolarHBondContact O-N 2.66Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.48Å; H47-F49 VanDerWaalsContact C-N 3.35Å; H47-S51 VanDerWaalsContact O-CB 3.3Å; H47-S51 WeakPolarHBondContact O-CB 3.39Å; H47-S51 PolarHBondContact O-N 3Å |
| 48 | H | 53.1 | Low | 62.2 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -44 | 173.6 | -149.8 | -66 | 0 | 0 | 0 | 111.1 | S44 L45 S51 D52 | S44-H48 PolarHBondContact O-N 3.07Å; L45-H48 PolarHBondContact O-N 3.24Å; H48-S51 CarbonylContact O-C 3.57Å; H48-S51 WeakPolarHBondContact O-CB 3.3Å; H48-S51 PolarHBondContact O-N 3.02Å; H48-D52 IonicContact CE1-OD1 3.5Å; H48-D52 IonicContact CE1-OD2 2.68Å; H48-D52 IonicContact ND1-OD1 3.01Å; H48-D52 PolarHBondContact ND1-OD1 3Å; H48-D52 IonicContact ND1-OD2 3.64Å; H48-D52 PolarHBondContact ND1-OD2 3.41Å; H48-D52 WeakPolarHBondContact O-CB 3.25Å; H48-D52 PolarHBondContact O-N 3.32Å; H48-D52 VanDerWaalsContact O-OD2 3.05Å |
| 49 | F | 56.7 | Low | 63.8 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -37.1 | -179.4 | -162.1 | -113.5 | 0 | 0 | 0 | 113.3 | L45 S46 H47 D52 K53 | L45-F49 WeakPolarHBondContact O-CB 3.35Å; L45-F49 PolarHBondContact O-N 2.89Å; S46-F49 PolarHBondContact O-N 3.41Å; H47-F49 VanDerWaalsContact C-N 3.35Å; F49-D52 PolarHBondContact O-N 2.79Å; F49-K53 HydrophobicContact CD1-CD 4.34Å; F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact CE1-NZ 3.34Å; F49-K53 WeakPolarHBondContact O-CG 3.31Å; F49-K53 PolarHBondContact O-N 3.2Å |
| 50 | Y | 59 | Low | 65.6 | Low | 155 Ų | 155 | 97.5 Ų | 97.5 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 170.8 | -82.4 | -69.8 | 0 | 0 | 0 | 111.2 | S46 D52 K53 V54 | S46-Y50 WeakPolarHBondContact O-CD2 3.38Å; S46-Y50 PolarHBondContact O-N 2.99Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 2.68Å; Y50-V54 WeakPolarHBondContact O-CG2 3.41Å; Y50-V54 PolarHBondContact O-N 2.94Å |
| 51 | S | 64.9 | Low | 67.4 | Low | 64 Ų | 64 | 91.7 Ų | 91.7 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | H47 H48 V54 Y55 | H47-S51 VanDerWaalsContact O-CB 3.3Å; H47-S51 WeakPolarHBondContact O-CB 3.39Å; H47-S51 PolarHBondContact O-N 3Å; H48-S51 CarbonylContact O-C 3.57Å; H48-S51 WeakPolarHBondContact O-CB 3.3Å; H48-S51 PolarHBondContact O-N 3.02Å; S51-V54 PolarHBondContact O-N 3.4Å; S51-Y55 WeakPolarHBondContact O-CB 3.41Å; S51-Y55 PolarHBondContact O-N 3.05Å |
| 52 | D | 70.8 | Confident | 69 | Low | 62 Ų | 62 | 89.4 Ų | 89.4 | 33% | 0.332 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.4 | -64.3 | -30.2 | 0 | 0 | 0 | 111.4 | H48 F49 Y50 N56 | H48-D52 IonicContact CE1-OD1 3.5Å; H48-D52 IonicContact CE1-OD2 2.68Å; H48-D52 IonicContact ND1-OD1 3.01Å; H48-D52 PolarHBondContact ND1-OD1 3Å; H48-D52 IonicContact ND1-OD2 3.64Å; H48-D52 PolarHBondContact ND1-OD2 3.41Å; H48-D52 WeakPolarHBondContact O-CB 3.25Å; H48-D52 PolarHBondContact O-N 3.32Å; H48-D52 VanDerWaalsContact O-OD2 3.05Å; F49-D52 PolarHBondContact O-N 2.79Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 2.9Å; D52-N56 VanDerWaalsContact O-CB 3.24Å; D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.46Å; D52-N56 PolarHBondContact O-ND2 2.97Å |
| 53 | K | 74.5 | Confident | 70.8 | Confident | 73 Ų | 73 | 90 Ų | 90 | 32% | 0.317 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 175.5 | -75.7 | 176.5 | 179.2 | 174.3 | 0 | 112.1 | F49 Y50 N56 I57 | F49-K53 HydrophobicContact CD1-CD 4.34Å; F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact CE1-NZ 3.34Å; F49-K53 WeakPolarHBondContact O-CG 3.31Å; F49-K53 PolarHBondContact O-N 3.2Å; Y50-K53 PolarHBondContact O-N 2.68Å; K53-N56 PolarHBondContact O-N 3.36Å; K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.47Å; K53-I57 PolarHBondContact O-N 3.05Å |
| 54 | V | 81.9 | Confident | 72.4 | Confident | 84 Ų | 84 | 85.5 Ų | 85.5 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | Y50 S51 N56 I57 I58 | Y50-V54 WeakPolarHBondContact O-CG2 3.41Å; Y50-V54 PolarHBondContact O-N 2.94Å; S51-V54 PolarHBondContact O-N 3.4Å; V54-N56 PolarHBondContact O-N 3.02Å; V54-I57 PolarHBondContact O-N 3.25Å; V54-I58 HydrophobicContact CG1-CD1 3.82Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.41Å |
| 55 | Y | 82.3 | Confident | 74.1 | Confident | 142 Ų | 142 | 87.4 Ų | 87.4 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 175.9 | 179.4 | -97.7 | 0 | 0 | 0 | 112 | S51 I57 I58 L59 | S51-Y55 WeakPolarHBondContact O-CB 3.41Å; S51-Y55 PolarHBondContact O-N 3.05Å; Y55-I57 VanDerWaalsContact C-N 3.35Å; Y55-I57 PolarHBondContact O-N 3.01Å; Y55-I58 PolarHBondContact O-N 2.89Å; Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 3.46Å |
| 56 | N | 75.2 | Confident | 76.1 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.4 | -75.7 | -40.1 | 0 | 0 | 0 | 112.3 | Y27 D52 K53 V54 L59 I60 | Y27-N56 HydrophobicContact CE1-CB 4.5Å; Y27-N56 HydrophobicContact CE2-CB 4.21Å; Y27-N56 WeakPolarHBondContact OH-CB 3.49Å; Y27-N56 PolarHBondContact OH-ND2 3.28Å; Y27-N56 VanDerWaalsContact OH-ND2 3.13Å; D52-N56 VanDerWaalsContact O-CB 3.24Å; D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.46Å; D52-N56 PolarHBondContact O-ND2 2.97Å; K53-N56 PolarHBondContact O-N 3.36Å; V54-N56 PolarHBondContact O-N 3.02Å; N56-L59 PolarHBondContact O-N 3.42Å; N56-I60 WeakPolarHBondContact O-CB 3.4Å; N56-I60 VanDerWaalsContact O-CG1 3.26Å; N56-I60 WeakPolarHBondContact O-CG1 3.42Å; N56-I60 PolarHBondContact O-N 3.43Å |
| 57 | I | 82.9 | Confident | 77.8 | Confident | 98 Ų | 98 | 84.9 Ų | 84.9 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174 | -67.6 | 165.3 | 0 | 0 | 0 | 110.5 | K53 V54 Y55 L59 I60 T61 | K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.47Å; K53-I57 PolarHBondContact O-N 3.05Å; V54-I57 PolarHBondContact O-N 3.25Å; Y55-I57 VanDerWaalsContact C-N 3.35Å; Y55-I57 PolarHBondContact O-N 3.01Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 3.38Å; I57-I60 PolarHBondContact O-N 3.29Å; I57-T61 HydrophobicContact CG2-CG2 4.37Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 VanDerWaalsContact O-CG2 3.29Å; I57-T61 WeakPolarHBondContact O-CG2 3.4Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 2.97Å |
| 58 | I | 87.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 80.1 Ų | 80.1 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 176 | -68.2 | 167.3 | 0 | 0 | 0 | 110.6 | V54 Y55 T61 T62 | V54-I58 HydrophobicContact CG1-CD1 3.82Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.41Å; Y55-I58 PolarHBondContact O-N 2.89Å; I58-T61 VanDerWaalsContact CA-OG1 3.3Å; I58-T61 WeakPolarHBondContact CA-OG1 2.93Å; I58-T61 PolarHBondContact O-OG1 3.46Å; I58-T62 VanDerWaalsContact O-CB 3.25Å; I58-T62 WeakPolarHBondContact O-CB 3.23Å; I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 PolarHBondContact O-OG1 2.92Å |
| 59 | L | 84.1 | Confident | 81.4 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 179.2 | -174.4 | 67.2 | 0 | 0 | 0 | 111.6 | Y55 N56 I57 T62 F63 | Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 3.46Å; N56-L59 PolarHBondContact O-N 3.42Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 3.38Å; L59-T62 PolarHBondContact O-N 2.94Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.31Å |
| 60 | I | 86.6 | Confident | 83.1 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 177.9 | -70.4 | 167.6 | 0 | 0 | 0 | 110.5 | L20 L23 I24 Y27 N56 I57 F63 S64 | L20-I60 HydrophobicContact CD1-CG2 3.99Å; L23-I60 HydrophobicContact CD2-CB 4.46Å; L23-I60 HydrophobicContact CD2-CD1 4.04Å; L23-I60 HydrophobicContact CD2-CG1 3.92Å; L23-I60 HydrophobicContact CD2-CG2 3.76Å; I24-I60 HydrophobicContact CG1-CG2 4.21Å; Y27-I60 HydrophobicContact CD1-CD1 3.95Å; Y27-I60 HydrophobicContact CD2-CD1 4.39Å; Y27-I60 HydrophobicContact CE1-CD1 4.33Å; Y27-I60 HydrophobicContact CG-CD1 3.98Å; N56-I60 WeakPolarHBondContact O-CB 3.4Å; N56-I60 VanDerWaalsContact O-CG1 3.26Å; N56-I60 WeakPolarHBondContact O-CG1 3.42Å; N56-I60 PolarHBondContact O-N 3.43Å; I57-I60 PolarHBondContact O-N 3.29Å; I60-F63 PolarHBondContact O-N 2.91Å; I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.23Å; I60-S64 PolarHBondContact O-N 3.46Å; I60-S64 PolarHBondContact O-OG 3.39Å |
| 61 | T | 84.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 73 Ų | 73 | 36% | 0.356 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | I57 I58 F63 S64 H65 | I57-T61 HydrophobicContact CG2-CG2 4.37Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 VanDerWaalsContact O-CG2 3.29Å; I57-T61 WeakPolarHBondContact O-CG2 3.4Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 2.97Å; I58-T61 VanDerWaalsContact CA-OG1 3.3Å; I58-T61 WeakPolarHBondContact CA-OG1 2.93Å; I58-T61 PolarHBondContact O-OG1 3.46Å; T61-F63 PolarHBondContact O-N 2.92Å; T61-S64 PolarHBondContact O-N 3.48Å; T61-S64 PolarHBondContact O-OG 2.92Å; T61-H65 PolarHBondContact O-CD2 3.36Å; T61-H65 PolarHBondContact O-N 3.21Å |
| 62 | T | 88.5 | Confident | 85.9 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | I58 L59 S64 H65 I66 | I58-T62 VanDerWaalsContact O-CB 3.25Å; I58-T62 WeakPolarHBondContact O-CB 3.23Å; I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 PolarHBondContact O-OG1 2.92Å; L59-T62 PolarHBondContact O-N 2.94Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 2.96Å; T62-H65 PolarHBondContact O-N 2.92Å; T62-I66 HydrophobicContact CG2-CD1 3.91Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.79Å |
| 63 | F | 86.9 | Confident | 87 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.3 | -176.6 | -90.5 | 0 | 0 | 0 | 111.7 | W19 L59 I60 T61 I66 S67 | W19-F63 AromaticContact CH2-CD1 3.57Å; W19-F63 HydrophobicContact CH2-CD1 3.57Å; W19-F63 AromaticContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CZ 4.49Å; W19-F63 AromaticContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ3-CD1 4.15Å; W19-F63 HydrophobicContact CZ3-CE1 4.02Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.31Å; I60-F63 PolarHBondContact O-N 2.91Å; T61-F63 PolarHBondContact O-N 2.92Å; F63-I66 PolarHBondContact O-N 3.18Å; F63-S67 WeakPolarHBondContact O-CB 3.48Å; F63-S67 PolarHBondContact O-N 3.42Å; F63-S67 PolarHBondContact O-OG 2.01Å |
| 64 | S | 87.4 | Confident | 87.8 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.3 | 80.5 | 0 | 0 | 0 | 0 | 112.1 | H16 I60 T61 T62 S67 L68 | H16-S64 PolarHBondContact CE1-O 2.89Å; H16-S64 PolarHBondContact NE2-O 3.27Å; I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.23Å; I60-S64 PolarHBondContact O-N 3.46Å; I60-S64 PolarHBondContact O-OG 3.39Å; T61-S64 PolarHBondContact O-N 3.48Å; T61-S64 PolarHBondContact O-OG 2.92Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 2.96Å; S64-S67 WeakPolarHBondContact CA-OG 3.36Å; S64-S67 PolarHBondContact O-OG 2.96Å; S64-S67 VanDerWaalsContact O-OG 3.05Å; S64-L68 WeakPolarHBondContact O-CB 3.29Å; S64-L68 PolarHBondContact O-N 3.49Å |
| 65 | H | 89.6 | Confident | 88.2 | Confident | 128 Ų | 128 | 73.1 Ų | 73.1 | 59% | 0.593 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 176.3 | -72.9 | -61.8 | 0 | 0 | 0 | 112.6 | T61 T62 L68 A69 | T61-H65 PolarHBondContact O-CD2 3.36Å; T61-H65 PolarHBondContact O-N 3.21Å; T62-H65 PolarHBondContact O-N 2.92Å; H65-L68 PolarHBondContact O-N 3.47Å; H65-A69 WeakPolarHBondContact O-CB 3.04Å; H65-A69 PolarHBondContact O-N 3.32Å |
| 66 | I | 92.9 | Very high | 88.7 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 178.8 | -67.2 | 165.9 | 0 | 0 | 0 | 110.7 | T62 F63 L68 A69 L70 | T62-I66 HydrophobicContact CG2-CD1 3.91Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.79Å; F63-I66 PolarHBondContact O-N 3.18Å; I66-L68 PolarHBondContact O-N 3.01Å; I66-A69 PolarHBondContact O-N 3.48Å; I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.93Å |
| 67 | S | 88.5 | Confident | 89.5 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | -179.6 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | H16 F63 S64 C71 | H16-S67 PolarHBondContact NE2-OG 3.01Å; F63-S67 WeakPolarHBondContact O-CB 3.48Å; F63-S67 PolarHBondContact O-N 3.42Å; F63-S67 PolarHBondContact O-OG 2.01Å; S64-S67 WeakPolarHBondContact CA-OG 3.36Å; S64-S67 PolarHBondContact O-OG 2.96Å; S64-S67 VanDerWaalsContact O-OG 3.05Å; S67-C71 WeakPolarHBondContact O-CB 3.48Å; S67-C71 PolarHBondContact O-N 3.31Å |
| 68 | L | 90.2 | Very high | 89.7 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 172.6 | -178.3 | 61.3 | 0 | 0 | 0 | 111.4 | T13 H16 S64 H65 I66 L70 C71 V72 | T13-L68 HydrophobicContact CG2-CD1 4.14Å; H16-L68 HydrophobicContact CB-CD1 4.08Å; H16-L68 PolarHBondContact NE2-N 3.4Å; S64-L68 WeakPolarHBondContact O-CB 3.29Å; S64-L68 PolarHBondContact O-N 3.49Å; H65-L68 PolarHBondContact O-N 3.47Å; I66-L68 PolarHBondContact O-N 3.01Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.34Å; L68-C71 PolarHBondContact O-N 3.48Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.9Å |
| 69 | A | 93.7 | Very high | 89.5 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H65 I66 V72 Y73 | H65-A69 WeakPolarHBondContact O-CB 3.04Å; H65-A69 PolarHBondContact O-N 3.32Å; I66-A69 PolarHBondContact O-N 3.48Å; A69-V72 PolarHBondContact O-N 3.41Å; A69-Y73 VanDerWaalsContact O-CB 3.25Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.08Å |
| 70 | L | 92.7 | Very high | 89.6 | Confident | 103 Ų | 103 | 74 Ų | 74 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.3 | -73.4 | 172.2 | 0 | 0 | 0 | 111.8 | I66 L68 Y73 V74 | I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.93Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.34Å; L70-Y73 PolarHBondContact O-N 3.15Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 3.14Å |
| 71 | C | 90.8 | Very high | 89.3 | Confident | 42 Ų | 42 | 77 Ų | 77 | 28% | 0.284 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 178.5 | -177 | 0 | 0 | 0 | 0 | 111.5 | C12 S67 L68 Y73 V74 C75 | C12-C71 HydrophobicContact CB-CB 4.49Å; C12-C71 WeakPolarHBondContact CB-SG 3.39Å; C12-C71 WeakPolarHBondContact SG-CB 3.38Å; C12-C71 CovalentContact SG-SG 2.01Å; C12-C71 PolarHBondContact SG-SG 3.26Å; S67-C71 WeakPolarHBondContact O-CB 3.48Å; S67-C71 PolarHBondContact O-N 3.31Å; L68-C71 PolarHBondContact O-N 3.48Å; C71-Y73 PolarHBondContact O-N 2.88Å; C71-V74 PolarHBondContact O-N 2.99Å; C71-C75 PolarHBondContact O-N 3.29Å; C71-C75 PolarHBondContact O-SG 3.31Å |
| 72 | V | 92.4 | Very high | 88.4 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | I9 L68 A69 V74 C75 I76 | I9-V72 HydrophobicContact CD1-CG1 4.21Å; I9-V72 HydrophobicContact CG1-CG1 4.29Å; I9-V72 HydrophobicContact CG2-CG2 4.23Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.9Å; A69-V72 PolarHBondContact O-N 3.41Å; V72-V74 PolarHBondContact O-N 3.18Å; V72-C75 WeakPolarHBondContact O-CB 3.18Å; V72-C75 PolarHBondContact O-N 3.29Å; V72-I76 HydrophobicContact CG1-CD1 3.95Å; V72-I76 WeakPolarHBondContact O-CG1 3.25Å; V72-I76 PolarHBondContact O-N 2.76Å |
| 73 | Y | 93.8 | Very high | 88.4 | Confident | 153 Ų | 153 | 80.6 Ų | 80.6 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.2 | -45.5 | 177 | 176.1 | -97.6 | 0 | 0 | 0 | 111.9 | A69 L70 C71 C75 I76 Y77 | A69-Y73 VanDerWaalsContact O-CB 3.25Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.08Å; L70-Y73 PolarHBondContact O-N 3.15Å; C71-Y73 PolarHBondContact O-N 2.88Å; Y73-C75 PolarHBondContact O-N 3.44Å; Y73-I76 PolarHBondContact O-N 3.27Å; Y73-Y77 WeakPolarHBondContact O-CB 3.34Å; Y73-Y77 PolarHBondContact O-N 2.91Å |
| 74 | V | 91.2 | Very high | 88.5 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L70 C71 V72 I76 Y77 M78 | L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 3.14Å; C71-V74 PolarHBondContact O-N 2.99Å; V72-V74 PolarHBondContact O-N 3.18Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.5Å; V74-Y77 PolarHBondContact O-N 3.25Å; V74-M78 HydrophobicContact CG1-CE 4.48Å; V74-M78 HydrophobicContact CG1-CG 4.27Å; V74-M78 WeakPolarHBondContact O-CG 3.46Å; V74-M78 PolarHBondContact O-N 2.96Å |
| 75 | C | 90.9 | Very high | 88.5 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 174.9 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | L5 I9 C71 V72 Y73 C79 | L5-C75 HydrophobicContact CD1-CB 4.44Å; I9-C75 HydrophobicContact CG1-CB 4.09Å; C71-C75 PolarHBondContact O-N 3.29Å; C71-C75 PolarHBondContact O-SG 3.31Å; V72-C75 WeakPolarHBondContact O-CB 3.18Å; V72-C75 PolarHBondContact O-N 3.29Å; Y73-C75 PolarHBondContact O-N 3.44Å; C75-C79 PolarHBondContact O-N 3.47Å; C75-C79 PolarHBondContact O-SG 3.1Å; C75-C79 VanDerWaalsContact O-SG 3.41Å |
| 76 | I | 92.3 | Very high | 88.5 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.9 | -66.7 | 166.1 | 0 | 0 | 0 | 110.4 | L5 I9 V72 Y73 V74 M78 C79 L80 | L5-I76 HydrophobicContact CD1-CB 4.46Å; L5-I76 HydrophobicContact CD1-CG1 3.95Å; L5-I76 HydrophobicContact CD2-CG1 4.42Å; I9-I76 HydrophobicContact CD1-CG1 4.42Å; V72-I76 HydrophobicContact CG1-CD1 3.95Å; V72-I76 WeakPolarHBondContact O-CG1 3.25Å; V72-I76 PolarHBondContact O-N 2.76Å; Y73-I76 PolarHBondContact O-N 3.27Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.5Å; I76-M78 PolarHBondContact O-N 3.27Å; I76-C79 PolarHBondContact O-N 3.44Å; I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.19Å |
| 77 | Y | 92.4 | Very high | 88.2 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | -178.5 | -179.1 | -99.4 | 0 | 0 | 0 | 112.3 | Y73 V74 C79 L80 S81 | Y73-Y77 WeakPolarHBondContact O-CB 3.34Å; Y73-Y77 PolarHBondContact O-N 2.91Å; V74-Y77 PolarHBondContact O-N 3.25Å; Y77-C79 VanDerWaalsContact C-N 3.33Å; Y77-C79 PolarHBondContact O-N 3.47Å; Y77-L80 PolarHBondContact O-N 2.69Å; Y77-S81 PolarHBondContact O-N 3.04Å; Y77-S81 VanDerWaalsContact O-N 3.1Å |
| 78 | M | 86.1 | Confident | 88.2 | Confident | 122 Ų | 122 | 82.3 Ų | 82.3 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 178.7 | -67.6 | -65 | -178.2 | 0 | 0 | 112.1 | V74 I76 L80 S81 | V74-M78 HydrophobicContact CG1-CE 4.48Å; V74-M78 HydrophobicContact CG1-CG 4.27Å; V74-M78 WeakPolarHBondContact O-CG 3.46Å; V74-M78 PolarHBondContact O-N 2.96Å; I76-M78 PolarHBondContact O-N 3.27Å; M78-L80 VanDerWaalsContact C-N 3.34Å; M78-S81 PolarHBondContact O-N 3.42Å |
| 79 | C | 83.8 | Confident | 88 | Confident | 26 Ų | 26 | 85.1 Ų | 85.1 | 18% | 0.176 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -71.6 | -24.2 | 175.9 | -74.1 | 0 | 0 | 0 | 0 | 114.2 | M1 L5 C75 I76 Y77 S82 | M1-C79 WeakPolarHBondContact CE-O 3.49Å; L5-C79 HydrophobicContact CB-CB 4.46Å; L5-C79 HydrophobicContact CD1-CB 4.05Å; C75-C79 PolarHBondContact O-N 3.47Å; C75-C79 PolarHBondContact O-SG 3.1Å; C75-C79 VanDerWaalsContact O-SG 3.41Å; I76-C79 PolarHBondContact O-N 3.44Å; Y77-C79 VanDerWaalsContact C-N 3.33Å; Y77-C79 PolarHBondContact O-N 3.47Å; C79-S82 PolarHBondContact O-OG 3.03Å |
| 80 | L | 85.2 | Confident | 87.6 | Confident | 140 Ų | 140 | 87 Ų | 87 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -83.4 | -24.1 | 175.7 | -71.1 | 174.6 | 0 | 0 | 0 | 112.5 | I76 Y77 M78 S82 | I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.19Å; Y77-L80 PolarHBondContact O-N 2.69Å; M78-L80 VanDerWaalsContact C-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.34Å |
| 81 | S | 80.7 | Confident | 87.2 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80.5 | -14.9 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 113.6 | Y77 M78 | Y77-S81 PolarHBondContact O-N 3.04Å; Y77-S81 VanDerWaalsContact O-N 3.1Å; M78-S81 PolarHBondContact O-N 3.42Å |
| 82 | S | 66.3 | Low | 86.8 | Confident | 117 Ų | 117 | 89.6 Ų | 89.6 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | trans | -94.1 | 0 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | M1 C79 L80 | M1-S82 WeakPolarHBondContact CE-OXT 3.03Å; C79-S82 PolarHBondContact O-OG 3.03Å; L80-S82 VanDerWaalsContact C-N 3.34Å |
Retrieved 82 of 82 residues in 337.8 ms
(Link to these results)