| 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 | 48 | Very low | 72.9 | Confident | 211 Ų | 211 | 98.4 Ų | 98.4 | 100% | 1.039 | 54% | 0.542 | S | S | * | . | 0 | -45.9 | 0 | -68.6 | -178.2 | -171.8 | 0 | 0 | 112.7 | N3 T4 T5 | M1-N3 PolarHBondContact O-N 3.16Å; M1-T4 PolarHBondContact O-N 2.95Å; M1-T5 PolarHBondContact O-OG1 2.9Å | |||
| 2 | G | 58.8 | Low | 74.4 | Confident | 49 Ų | 49 | 98.8 Ų | 98.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -33.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | K6 | G2-K6 PolarHBondContact O-N 3.09Å |
| 3 | N | 59.6 | Low | 75.8 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 73% | 0.733 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71 | -35.3 | -179.1 | -75.9 | 1.3 | 0 | 0 | 0 | 113.4 | M1 T5 K6 A7 | M1-N3 PolarHBondContact O-N 3.16Å; N3-T5 VanDerWaalsContact C-N 3.32Å; N3-T5 PolarHBondContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 3.36Å; N3-A7 PolarHBondContact O-N 3.34Å |
| 4 | T | 61.4 | Low | 77 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 68% | 0.675 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.1 | -37.9 | 178.5 | -45.4 | 0 | 0 | 0 | 0 | 111 | M1 H8 | M1-T4 PolarHBondContact O-N 2.95Å; T4-H8 WeakPolarHBondContact O-CB 3.41Å; T4-H8 PolarHBondContact O-N 3.27Å; T4-H8 VanDerWaalsContact O-N 3.14Å |
| 5 | T | 77.6 | Confident | 78 | Confident | 79 Ų | 79 | 85.7 Ų | 85.7 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 176.8 | -45.9 | 0 | 0 | 0 | 0 | 111.7 | M1 N3 H8 Q9 | M1-T5 PolarHBondContact O-OG1 2.9Å; N3-T5 VanDerWaalsContact C-N 3.32Å; N3-T5 PolarHBondContact O-N 3.16Å; T5-H8 PolarHBondContact O-N 3.32Å; T5-Q9 VanDerWaalsContact O-CG 3.26Å; T5-Q9 WeakPolarHBondContact O-CG 3.43Å; T5-Q9 PolarHBondContact O-N 3.07Å |
| 6 | K | 79.3 | Confident | 78.9 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.1 | -73 | -177.3 | 170.3 | -164 | 0 | 112.5 | G2 N3 H8 Q9 T10 | G2-K6 PolarHBondContact O-N 3.09Å; N3-K6 PolarHBondContact O-N 3.36Å; K6-H8 VanDerWaalsContact C-N 3.32Å; K6-H8 PolarHBondContact O-N 3.43Å; K6-Q9 WeakPolarHBondContact O-CB 3.48Å; K6-Q9 PolarHBondContact O-N 3.42Å; K6-T10 PolarHBondContact O-N 3.45Å; K6-T10 PolarHBondContact O-OG1 2.97Å; K6-T10 VanDerWaalsContact O-OG1 3.06Å |
| 7 | A | 77.7 | Confident | 79.8 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 50% | 0.504 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N3 T10 E11 | N3-A7 PolarHBondContact O-N 3.34Å; A7-T10 PolarHBondContact O-N 2.92Å; A7-E11 PolarHBondContact O-N 3.35Å |
| 8 | H | 83.9 | Confident | 80.5 | Confident | 106 Ų | 106 | 75.8 Ų | 75.8 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.1 | -174.4 | 59 | 0 | 0 | 0 | 112.4 | T4 T5 K6 E11 M12 | T4-H8 WeakPolarHBondContact O-CB 3.41Å; T4-H8 PolarHBondContact O-N 3.27Å; T4-H8 VanDerWaalsContact O-N 3.14Å; T5-H8 PolarHBondContact O-N 3.32Å; K6-H8 VanDerWaalsContact C-N 3.32Å; K6-H8 PolarHBondContact O-N 3.43Å; H8-E11 PolarHBondContact O-N 3.03Å; H8-M12 WeakPolarHBondContact O-CG 3.49Å; H8-M12 PolarHBondContact O-N 3.48Å |
| 9 | Q | 85 | Confident | 80.9 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.2 | -75 | 170.9 | -19.3 | 0 | 0 | 111.9 | T5 K6 E11 M12 I13 | T5-Q9 VanDerWaalsContact O-CG 3.26Å; T5-Q9 WeakPolarHBondContact O-CG 3.43Å; T5-Q9 PolarHBondContact O-N 3.07Å; K6-Q9 WeakPolarHBondContact O-CB 3.48Å; K6-Q9 PolarHBondContact O-N 3.42Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 3.29Å; Q9-M12 PolarHBondContact O-N 3.43Å; Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 2.92Å |
| 10 | T | 84.3 | Confident | 81.3 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 12% | 0.117 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | K6 A7 I13 M14 N46 I47 | K6-T10 PolarHBondContact O-N 3.45Å; K6-T10 PolarHBondContact O-OG1 2.97Å; K6-T10 VanDerWaalsContact O-OG1 3.06Å; A7-T10 PolarHBondContact O-N 2.92Å; T10-I13 PolarHBondContact O-N 3.26Å; T10-M14 WeakPolarHBondContact O-CB 3.5Å; T10-M14 WeakPolarHBondContact O-CG 3.17Å; T10-M14 PolarHBondContact O-N 3.18Å; T10-N46 WeakPolarHBondContact OG1-CB 3.15Å; T10-N46 PolarHBondContact OG1-O 3.08Å; T10-I47 HydrophobicContact CG2-CD1 4.39Å; T10-I47 HydrophobicContact CG2-CG1 3.56Å |
| 11 | E | 86.4 | Confident | 81.7 | Confident | 110 Ų | 110 | 71 Ų | 71 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.2 | -169.5 | -169.8 | 168.6 | 0 | 0 | 111.7 | A7 H8 Q9 M14 N15 | A7-E11 PolarHBondContact O-N 3.35Å; H8-E11 PolarHBondContact O-N 3.03Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 3.29Å; E11-M14 PolarHBondContact O-N 3.42Å; E11-N15 WeakPolarHBondContact O-CB 3.06Å; E11-N15 PolarHBondContact O-N 3.34Å; E11-N15 PolarHBondContact O-ND2 3.05Å |
| 12 | M | 91.1 | Very high | 83.8 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 51% | 0.512 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.6 | -70.8 | -180 | 70.4 | 0 | 0 | 111.9 | H8 Q9 N15 V16 | H8-M12 WeakPolarHBondContact O-CG 3.49Å; H8-M12 PolarHBondContact O-N 3.48Å; Q9-M12 PolarHBondContact O-N 3.43Å; M12-N15 PolarHBondContact O-N 2.96Å; M12-V16 WeakPolarHBondContact O-CG2 3.42Å; M12-V16 PolarHBondContact O-N 3.22Å; M12-V16 VanDerWaalsContact O-N 3.07Å |
| 13 | I | 92.1 | Very high | 85.2 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.179 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.7 | -68.5 | 167.9 | 0 | 0 | 0 | 109.8 | Q9 T10 N15 V16 L17 L40 E43 F56 | Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 2.92Å; T10-I13 PolarHBondContact O-N 3.26Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 3.47Å; I13-V16 PolarHBondContact O-N 3.26Å; I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.18Å; I13-L40 HydrophobicContact CG2-CD1 4.21Å; I13-E43 HydrophobicContact CD1-CB 4.26Å; I13-E43 HydrophobicContact CD1-CG 4.04Å; I13-F56 HydrophobicContact CG2-CE2 3.91Å |
| 14 | M | 92.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.1 | -76.4 | -59.2 | -51.4 | 0 | 0 | 112 | T10 E11 V16 L17 L18 I47 M52 L55 F56 L59 | T10-M14 WeakPolarHBondContact O-CB 3.5Å; T10-M14 WeakPolarHBondContact O-CG 3.17Å; T10-M14 PolarHBondContact O-N 3.18Å; E11-M14 PolarHBondContact O-N 3.42Å; M14-V16 VanDerWaalsContact C-N 3.35Å; M14-V16 PolarHBondContact O-N 3.45Å; M14-L17 PolarHBondContact O-N 3.14Å; M14-L18 HydrophobicContact CE-CD1 4.09Å; M14-L18 HydrophobicContact CE-CG 4.18Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.28Å; M14-L18 WeakPolarHBondContact O-CD1 3.45Å; M14-L18 WeakPolarHBondContact O-CG 3.45Å; M14-L18 PolarHBondContact O-N 2.81Å; M14-I47 HydrophobicContact SD-CD1 4.36Å; M14-M52 HydrophobicContact CE-CE 3.66Å; M14-M52 HydrophobicContact CG-CE 4.01Å; M14-M52 HydrophobicContact SD-CE 4.16Å; M14-L55 HydrophobicContact CE-CD2 4.31Å; M14-L55 HydrophobicContact CE-CG 4.45Å; M14-F56 HydrophobicContact SD-CB 4.14Å; M14-F56 HydrophobicContact SD-CD2 3.58Å; M14-F56 VanDerWaalsContact SD-CD2 3.58Å; M14-F56 HydrophobicContact SD-CE2 4.46Å; M14-F56 HydrophobicContact SD-CG 4.33Å; M14-L59 HydrophobicContact CE-CD1 3.7Å |
| 15 | N | 91.7 | Very high | 88.3 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.9 | -75.9 | -28.6 | 0 | 0 | 0 | 112.5 | E11 M12 I13 S19 K298 | E11-N15 WeakPolarHBondContact O-CB 3.06Å; E11-N15 PolarHBondContact O-N 3.34Å; E11-N15 PolarHBondContact O-ND2 3.05Å; M12-N15 PolarHBondContact O-N 2.96Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 3.47Å; N15-S19 PolarHBondContact O-N 3.27Å; N15-S19 PolarHBondContact O-OG 3.47Å; N15-K298 PolarHBondContact OD1-NZ 2.99Å |
| 16 | V | 93.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 50 Ų | 50 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 175.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | M12 I13 M14 L18 S19 S20 I28 | M12-V16 WeakPolarHBondContact O-CG2 3.42Å; M12-V16 PolarHBondContact O-N 3.22Å; M12-V16 VanDerWaalsContact O-N 3.07Å; I13-V16 PolarHBondContact O-N 3.26Å; M14-V16 VanDerWaalsContact C-N 3.35Å; M14-V16 PolarHBondContact O-N 3.45Å; V16-L18 VanDerWaalsContact C-N 3.31Å; V16-L18 PolarHBondContact O-N 2.75Å; V16-S19 PolarHBondContact O-N 3.2Å; V16-S19 VanDerWaalsContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.21Å; V16-S20 WeakPolarHBondContact O-CB 3.49Å; V16-S20 PolarHBondContact O-N 3.15Å; V16-S20 PolarHBondContact O-OG 3.38Å; V16-S20 VanDerWaalsContact O-OG 3.04Å; V16-I28 HydrophobicContact CG1-CD1 3.9Å |
| 17 | L | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 179.9 | -63.8 | 178.1 | 0 | 0 | 0 | 111.8 | I13 M14 S19 S20 R25 F56 L59 L60 | I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.18Å; M14-L17 PolarHBondContact O-N 3.14Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.93Å; L17-S20 PolarHBondContact O-N 3.4Å; L17-R25 HydrophobicContact CD2-CB 4.4Å; L17-R25 HydrophobicContact CD2-CG 3.91Å; L17-R25 WeakPolarHBondContact O-CD 3Å; L17-F56 HydrophobicContact CD1-CD2 3.75Å; L17-F56 HydrophobicContact CD1-CE2 3.53Å; L17-L59 HydrophobicContact CB-CB 4.49Å; L17-L59 HydrophobicContact CB-CD1 4.18Å; L17-L60 HydrophobicContact CD1-CD2 3.77Å; L17-L60 HydrophobicContact CD1-CG 4.24Å; L17-L60 HydrophobicContact CD2-CD2 3.73Å; L17-L60 HydrophobicContact CG-CD2 4.42Å |
| 18 | L | 92.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.3 | -17.5 | 178.5 | -73.6 | 168.1 | 0 | 0 | 0 | 113.5 | M14 V16 L59 A295 K298 L299 K302 | M14-L18 HydrophobicContact CE-CD1 4.09Å; M14-L18 HydrophobicContact CE-CG 4.18Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.28Å; M14-L18 WeakPolarHBondContact O-CD1 3.45Å; M14-L18 WeakPolarHBondContact O-CG 3.45Å; M14-L18 PolarHBondContact O-N 2.81Å; V16-L18 VanDerWaalsContact C-N 3.31Å; V16-L18 PolarHBondContact O-N 2.75Å; L18-L59 HydrophobicContact CD2-CD1 3.85Å; L18-L59 HydrophobicContact CD2-CD2 4.35Å; L18-L59 HydrophobicContact CG-CD1 4.15Å; L18-A295 HydrophobicContact CD1-CB 3.76Å; L18-A295 HydrophobicContact CD2-CB 4.44Å; L18-K298 HydrophobicContact CD1-CD 4.02Å; L18-L299 HydrophobicContact CD2-CD2 3.76Å; L18-L299 HydrophobicContact CD2-CG 4.09Å; L18-K302 WeakPolarHBondContact O-CE 3.33Å; L18-K302 PolarHBondContact O-NZ 2.81Å |
| 19 | S | 88.7 | Confident | 91.1 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -98 | -23.2 | 174.3 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | N15 V16 L17 | N15-S19 PolarHBondContact O-N 3.27Å; N15-S19 PolarHBondContact O-OG 3.47Å; V16-S19 PolarHBondContact O-N 3.2Å; V16-S19 VanDerWaalsContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.21Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.93Å |
| 20 | S | 89.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -75.9 | 152.5 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | V16 L17 E24 R25 I28 K302 | V16-S20 WeakPolarHBondContact O-CB 3.49Å; V16-S20 PolarHBondContact O-N 3.15Å; V16-S20 PolarHBondContact O-OG 3.38Å; V16-S20 VanDerWaalsContact O-OG 3.04Å; L17-S20 PolarHBondContact O-N 3.4Å; S20-E24 VanDerWaalsContact CA-OE2 3.31Å; S20-E24 WeakPolarHBondContact CA-OE2 3.3Å; S20-R25 PolarHBondContact O-NH1 3.25Å; S20-I28 WeakPolarHBondContact OG-CD1 3.22Å; S20-K302 PolarHBondContact O-NZ 3.03Å |
| 21 | T | 89 | Confident | 91.9 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | -72.3 | 165.1 | 163.5 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | A23 E24 R25 E262 | T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.3Å; T21-E24 PolarHBondContact N-OE2 2.8Å; T21-E24 PolarHBondContact O-N 3.1Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 VanDerWaalsContact OG1-CG 3.23Å; T21-E24 WeakPolarHBondContact OG1-CG 3.37Å; T21-E24 PolarHBondContact OG1-N 3.43Å; T21-E24 PolarHBondContact OG1-OE2 3.02Å; T21-R25 VanDerWaalsContact O-CG 3.31Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.41Å; T21-E262 WeakPolarHBondContact CA-OE2 3.35Å | ||
| 22 | N | 91.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.8 | -164.6 | -75 | 0 | 0 | 0 | 111.4 | E24 R25 Q26 T61 T63 E262 P314 | N22-E24 VanDerWaalsContact C-N 3.3Å; N22-E24 PolarHBondContact O-N 2.9Å; N22-R25 PolarHBondContact ND2-NH2 3.33Å; N22-R25 VanDerWaalsContact ND2-NH2 3.2Å; N22-R25 CarbonylContact O-C 3.58Å; N22-R25 WeakPolarHBondContact O-CA 3.5Å; N22-R25 WeakPolarHBondContact O-CB 3.3Å; N22-R25 PolarHBondContact O-N 3.43Å; N22-Q26 WeakPolarHBondContact O-CG 3.23Å; N22-Q26 PolarHBondContact O-N 3.49Å; N22-Q26 WeakPolarHBondContact OD1-CG 3.21Å; N22-Q26 PolarHBondContact OD1-NE2 3.48Å; N22-T61 PolarHBondContact ND2-O 3.27Å; N22-T63 WeakPolarHBondContact CB-OG1 3.47Å; N22-T63 PolarHBondContact ND2-N 3.17Å; N22-T63 PolarHBondContact ND2-OG1 3Å; N22-T63 PolarHBondContact OD1-N 3.14Å; N22-E262 PolarHBondContact N-OE1 3.35Å; N22-E262 PolarHBondContact N-OE2 3.23Å; N22-P314 HydrophobicContact CB-CG 4.36Å |
| 23 | A | 88.8 | Confident | 92.4 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T21 Q26 N27 L317 | T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.3Å; A23-Q26 PolarHBondContact O-N 2.92Å; A23-N27 PolarHBondContact O-N 3.2Å; A23-N27 VanDerWaalsContact O-N 3.09Å; A23-L317 HydrophobicContact CB-CG 4.48Å |
| 24 | E | 91.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 173.6 | -72.1 | 167.6 | 148.8 | 0 | 0 | 112 | S20 T21 N22 Q26 N27 I28 L317 | S20-E24 VanDerWaalsContact CA-OE2 3.31Å; S20-E24 WeakPolarHBondContact CA-OE2 3.3Å; T21-E24 PolarHBondContact N-OE2 2.8Å; T21-E24 PolarHBondContact O-N 3.1Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 VanDerWaalsContact OG1-CG 3.23Å; T21-E24 WeakPolarHBondContact OG1-CG 3.37Å; T21-E24 PolarHBondContact OG1-N 3.43Å; T21-E24 PolarHBondContact OG1-OE2 3.02Å; N22-E24 VanDerWaalsContact C-N 3.3Å; N22-E24 PolarHBondContact O-N 2.9Å; E24-Q26 VanDerWaalsContact C-N 3.34Å; E24-Q26 PolarHBondContact O-N 3.06Å; E24-N27 PolarHBondContact O-N 2.67Å; E24-I28 WeakPolarHBondContact O-CB 3.45Å; E24-I28 WeakPolarHBondContact O-CD1 3.36Å; E24-I28 WeakPolarHBondContact O-CG1 3.37Å; E24-I28 PolarHBondContact O-N 2.64Å; E24-L317 HydrophobicContact CG-CD1 3.88Å |
| 25 | R | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 176.4 | -68.7 | -172.6 | -56.3 | -95.7 | 4.5 | 112 | L17 S20 T21 N22 I28 M29 L59 E262 | L17-R25 HydrophobicContact CD2-CB 4.4Å; L17-R25 HydrophobicContact CD2-CG 3.91Å; L17-R25 WeakPolarHBondContact O-CD 3Å; S20-R25 PolarHBondContact O-NH1 3.25Å; T21-R25 VanDerWaalsContact O-CG 3.31Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.41Å; N22-R25 PolarHBondContact ND2-NH2 3.33Å; N22-R25 VanDerWaalsContact ND2-NH2 3.2Å; N22-R25 CarbonylContact O-C 3.58Å; N22-R25 WeakPolarHBondContact O-CA 3.5Å; N22-R25 WeakPolarHBondContact O-CB 3.3Å; N22-R25 PolarHBondContact O-N 3.43Å; R25-I28 PolarHBondContact O-N 3.07Å; R25-M29 WeakPolarHBondContact O-CB 3.32Å; R25-M29 PolarHBondContact O-N 3.42Å; R25-L59 WeakPolarHBondContact CD-O 3.22Å; R25-L59 PolarHBondContact NE-O 3.09Å; R25-E262 IonicContact CZ-OE1 2.76Å; R25-E262 VanDerWaalsContact CZ-OE1 3.24Å; R25-E262 IonicContact NH1-OE1 3.18Å; R25-E262 PolarHBondContact NH1-OE1 3.47Å; R25-E262 IonicContact NH2-OE1 3.91Å; R25-E262 PolarHBondContact NH2-OE1 3.08Å |
| 26 | Q | 94.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 173.6 | -65.7 | -48.2 | -50.2 | 0 | 0 | 111.2 | N22 A23 E24 M29 H30 L60 | N22-Q26 WeakPolarHBondContact O-CG 3.23Å; N22-Q26 PolarHBondContact O-N 3.49Å; N22-Q26 WeakPolarHBondContact OD1-CG 3.21Å; N22-Q26 PolarHBondContact OD1-NE2 3.48Å; A23-Q26 PolarHBondContact O-N 2.92Å; E24-Q26 VanDerWaalsContact C-N 3.34Å; E24-Q26 PolarHBondContact O-N 3.06Å; Q26-M29 PolarHBondContact O-N 2.86Å; Q26-H30 PolarHBondContact O-N 3.28Å; Q26-L60 PolarHBondContact NE2-O 3.1Å |
| 27 | N | 93.2 | Very high | 92.5 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.4 | -177.2 | 43.8 | 0 | 0 | 0 | 111.8 | A23 E24 M29 H30 Q31 | A23-N27 PolarHBondContact O-N 3.2Å; A23-N27 VanDerWaalsContact O-N 3.09Å; E24-N27 PolarHBondContact O-N 2.67Å; N27-M29 VanDerWaalsContact C-N 3.33Å; N27-M29 PolarHBondContact O-N 3.35Å; N27-H30 PolarHBondContact O-N 2.92Å; N27-Q31 VanDerWaalsContact O-CG 3.3Å; N27-Q31 WeakPolarHBondContact O-CG 3.39Å; N27-Q31 PolarHBondContact O-N 2.85Å |
| 28 | I | 94 | Very high | 92.5 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.9 | -48 | 175.8 | -71.5 | 161.8 | 0 | 0 | 0 | 110.1 | V16 S20 E24 R25 H30 Q31 Y32 L40 | V16-I28 HydrophobicContact CG1-CD1 3.9Å; S20-I28 WeakPolarHBondContact OG-CD1 3.22Å; E24-I28 WeakPolarHBondContact O-CB 3.45Å; E24-I28 WeakPolarHBondContact O-CD1 3.36Å; E24-I28 WeakPolarHBondContact O-CG1 3.37Å; E24-I28 PolarHBondContact O-N 2.64Å; R25-I28 PolarHBondContact O-N 3.07Å; I28-H30 PolarHBondContact O-N 3.21Å; I28-Q31 PolarHBondContact O-N 3.19Å; I28-Y32 WeakPolarHBondContact O-CB 3.43Å; I28-Y32 PolarHBondContact O-N 3.35Å; I28-L40 HydrophobicContact CG2-CD2 4.07Å |
| 29 | M | 94.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 65 Ų | 65 | 23% | 0.232 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 177.4 | -178.5 | 174.5 | 60.1 | 0 | 0 | 111.3 | R25 Q26 N27 N33 L40 | R25-M29 WeakPolarHBondContact O-CB 3.32Å; R25-M29 PolarHBondContact O-N 3.42Å; Q26-M29 PolarHBondContact O-N 2.86Å; N27-M29 VanDerWaalsContact C-N 3.33Å; N27-M29 PolarHBondContact O-N 3.35Å; M29-N33 WeakPolarHBondContact O-CB 3.37Å; M29-N33 PolarHBondContact O-N 3.41Å; M29-N33 PolarHBondContact O-ND2 3.15Å; M29-N33 PolarHBondContact O-OD1 3.35Å; M29-N33 VanDerWaalsContact O-OD1 3.13Å; M29-L40 HydrophobicContact CB-CD2 4.43Å; M29-L40 HydrophobicContact CG-CB 4.41Å |
| 30 | H | 93.2 | Very high | 92.7 | Very high | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 176.6 | -177.9 | 83.5 | 0 | 0 | 0 | 112.1 | Q26 N27 I28 N33 R34 | Q26-H30 PolarHBondContact O-N 3.28Å; N27-H30 PolarHBondContact O-N 2.92Å; I28-H30 PolarHBondContact O-N 3.21Å; H30-N33 PolarHBondContact O-N 3.02Å; H30-R34 WeakPolarHBondContact O-CB 3.32Å; H30-R34 PolarHBondContact O-N 3.46Å |
| 31 | Q | 94 | Very high | 92.8 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.6 | -66.9 | -54.3 | -32.6 | 0 | 0 | 112.4 | N27 I28 N33 R34 I35 | N27-Q31 VanDerWaalsContact O-CG 3.3Å; N27-Q31 WeakPolarHBondContact O-CG 3.39Å; N27-Q31 PolarHBondContact O-N 2.85Å; I28-Q31 PolarHBondContact O-N 3.19Å; Q31-N33 PolarHBondContact O-N 2.88Å; Q31-R34 PolarHBondContact O-N 2.93Å; Q31-I35 WeakPolarHBondContact O-CB 3.37Å; Q31-I35 VanDerWaalsContact O-CG1 3.31Å; Q31-I35 WeakPolarHBondContact O-CG1 3.41Å; Q31-I35 PolarHBondContact O-N 2.99Å |
| 32 | Y | 93.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57 | -51 | 177.4 | -172.9 | -77.9 | 0 | 0 | 0 | 110.6 | I28 R34 I35 L36 K38 L40 E43 | I28-Y32 WeakPolarHBondContact O-CB 3.43Å; I28-Y32 PolarHBondContact O-N 3.35Å; Y32-R34 VanDerWaalsContact C-N 3.29Å; Y32-R34 PolarHBondContact O-N 2.91Å; Y32-I35 PolarHBondContact O-N 3.27Å; Y32-L36 HydrophobicContact CD1-CD1 4.06Å; Y32-L36 HydrophobicContact CD2-CD1 3.77Å; Y32-L36 HydrophobicContact CE1-CB 4.32Å; Y32-L36 HydrophobicContact CE1-CD1 3.65Å; Y32-L36 HydrophobicContact CE2-CD1 3.35Å; Y32-L36 HydrophobicContact CG-CD1 4.11Å; Y32-L36 WeakPolarHBondContact O-CB 3.48Å; Y32-L36 PolarHBondContact O-N 3.3Å; Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; Y32-L40 HydrophobicContact CD1-CB 3.61Å; Y32-L40 HydrophobicContact CD1-CD1 4.15Å; Y32-L40 HydrophobicContact CD1-CG 4.42Å; Y32-L40 HydrophobicContact CD2-CD1 3.76Å; Y32-L40 HydrophobicContact CE1-CB 4.09Å; Y32-L40 HydrophobicContact CE1-CD1 4.11Å; Y32-L40 HydrophobicContact CE2-CD1 3.69Å; Y32-L40 HydrophobicContact CG-CB 3.86Å; Y32-L40 HydrophobicContact CG-CD1 3.99Å; Y32-L40 HydrophobicContact CG-CG 4.33Å; Y32-E43 WeakPolarHBondContact OH-CG 3.38Å; Y32-E43 PolarHBondContact OH-OE1 2.85Å |
| 33 | N | 93.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 179.7 | -62.9 | -2.9 | 0 | 0 | 0 | 111.5 | M29 H30 Q31 K37 K38 P39 L40 | M29-N33 WeakPolarHBondContact O-CB 3.37Å; M29-N33 PolarHBondContact O-N 3.41Å; M29-N33 PolarHBondContact O-ND2 3.15Å; M29-N33 PolarHBondContact O-OD1 3.35Å; M29-N33 VanDerWaalsContact O-OD1 3.13Å; H30-N33 PolarHBondContact O-N 3.02Å; Q31-N33 PolarHBondContact O-N 2.88Å; N33-K37 WeakPolarHBondContact O-CA 3.13Å; N33-K37 PolarHBondContact O-N 3.2Å; N33-K38 WeakPolarHBondContact CA-O 3.48Å; N33-K38 PolarHBondContact OD1-O 3.04Å; N33-P39 WeakPolarHBondContact OD1-CA 3.14Å; N33-L40 PolarHBondContact OD1-N 3.33Å |
| 34 | R | 93.8 | Very high | 92.8 | Very high | 137 Ų | 137 | 67.1 Ų | 67.1 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 180 | -175.1 | 174.1 | 73 | 159.6 | 8.4 | 112.6 | H30 Q31 Y32 K37 | H30-R34 WeakPolarHBondContact O-CB 3.32Å; H30-R34 PolarHBondContact O-N 3.46Å; Q31-R34 PolarHBondContact O-N 2.93Å; Y32-R34 VanDerWaalsContact C-N 3.29Å; Y32-R34 PolarHBondContact O-N 2.91Å; R34-K37 WeakPolarHBondContact O-CD 3.41Å; R34-K37 VanDerWaalsContact O-CE 3.24Å; R34-K37 WeakPolarHBondContact O-CE 3.46Å; R34-K37 PolarHBondContact O-NZ 3.22Å |
| 35 | I | 94.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 71 Ų | 71 | 61% | 0.605 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79.5 | -49.5 | -175 | -66.9 | 167.7 | 0 | 0 | 0 | 110.7 | Q31 Y32 | Q31-I35 WeakPolarHBondContact O-CB 3.37Å; Q31-I35 VanDerWaalsContact O-CG1 3.31Å; Q31-I35 WeakPolarHBondContact O-CG1 3.41Å; Q31-I35 PolarHBondContact O-N 2.99Å; Y32-I35 PolarHBondContact O-N 3.27Å |
| 36 | L | 92.2 | Very high | 92.1 | Very high | 96 Ų | 96 | 73.1 Ų | 73.1 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -90.8 | -6.2 | -173.3 | -62.4 | 176.4 | 0 | 0 | 0 | 113.8 | Y32 K38 | Y32-L36 HydrophobicContact CD1-CD1 4.06Å; Y32-L36 HydrophobicContact CD2-CD1 3.77Å; Y32-L36 HydrophobicContact CE1-CB 4.32Å; Y32-L36 HydrophobicContact CE1-CD1 3.65Å; Y32-L36 HydrophobicContact CE2-CD1 3.35Å; Y32-L36 HydrophobicContact CG-CD1 4.11Å; Y32-L36 WeakPolarHBondContact O-CB 3.48Å; Y32-L36 PolarHBondContact O-N 3.3Å; L36-K38 PolarHBondContact O-N 2.96Å |
| 37 | K | 92.5 | Very high | 91.6 | Very high | 170 Ų | 170 | 71.8 Ų | 71.8 | 74% | 0.739 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 55.1 | 24.4 | -179.3 | -51.9 | -57.1 | -174.9 | -165.7 | 0 | 113.6 | N33 R34 | N33-K37 WeakPolarHBondContact O-CA 3.13Å; N33-K37 PolarHBondContact O-N 3.2Å; R34-K37 WeakPolarHBondContact O-CD 3.41Å; R34-K37 VanDerWaalsContact O-CE 3.24Å; R34-K37 WeakPolarHBondContact O-CE 3.46Å; R34-K37 PolarHBondContact O-NZ 3.22Å |
| 38 | K | 92.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 74.5 Ų | 74.5 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -135.4 | 137 | 177.7 | -178.1 | -173.8 | 173.3 | -163 | 0 | 108.4 | Y32 N33 L36 L40 N42 E43 | Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; N33-K38 WeakPolarHBondContact CA-O 3.48Å; N33-K38 PolarHBondContact OD1-O 3.04Å; L36-K38 PolarHBondContact O-N 2.96Å; K38-L40 PolarHBondContact O-N 3.46Å; K38-N42 HydrophobicContact CD-CB 4.39Å; K38-N42 HydrophobicContact CG-CB 4.2Å; K38-E43 IonicContact NZ-OE1 2.73Å; K38-E43 PolarHBondContact NZ-OE1 3.29Å |
| 39 | P | 93.5 | Very high | 90.2 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | trans | -57.1 | 130.8 | 173.5 | -25.2 | 34 | 0 | 0 | 0 | 112.2 | N33 L41 N42 | N33-P39 WeakPolarHBondContact OD1-CA 3.14Å; P39-L41 PolarHBondContact O-N 3.2Å; P39-N42 VanDerWaalsContact O-CB 3.3Å; P39-N42 WeakPolarHBondContact O-CB 3.23Å; P39-N42 PolarHBondContact O-N 3.21Å | ||
| 40 | L | 92.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -56.1 | -34.2 | 171.6 | 177.8 | 55.3 | 0 | 0 | 0 | 111.3 | I13 I28 M29 Y32 N33 K38 N42 E43 L60 | I13-L40 HydrophobicContact CG2-CD1 4.21Å; I28-L40 HydrophobicContact CG2-CD2 4.07Å; M29-L40 HydrophobicContact CB-CD2 4.43Å; M29-L40 HydrophobicContact CG-CB 4.41Å; Y32-L40 HydrophobicContact CD1-CB 3.61Å; Y32-L40 HydrophobicContact CD1-CD1 4.15Å; Y32-L40 HydrophobicContact CD1-CG 4.42Å; Y32-L40 HydrophobicContact CD2-CD1 3.76Å; Y32-L40 HydrophobicContact CE1-CB 4.09Å; Y32-L40 HydrophobicContact CE1-CD1 4.11Å; Y32-L40 HydrophobicContact CE2-CD1 3.69Å; Y32-L40 HydrophobicContact CG-CB 3.86Å; Y32-L40 HydrophobicContact CG-CD1 3.99Å; Y32-L40 HydrophobicContact CG-CG 4.33Å; N33-L40 PolarHBondContact OD1-N 3.33Å; K38-L40 PolarHBondContact O-N 3.46Å; L40-N42 PolarHBondContact O-N 3.2Å; L40-N42 VanDerWaalsContact O-N 3.12Å; L40-E43 HydrophobicContact CD1-CG 4.1Å; L40-E43 WeakPolarHBondContact O-CB 3.02Å; L40-E43 PolarHBondContact O-N 3.34Å; L40-L60 HydrophobicContact CD2-CD2 3.64Å; L40-L60 HydrophobicContact CG-CD1 4.15Å; L40-L60 HydrophobicContact CG-CD2 4.19Å |
| 41 | L | 92.1 | Very high | 89.6 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -54.2 | -31.5 | 174.3 | -175.9 | 60.5 | 0 | 0 | 0 | 112.4 | P39 E43 K44 F56 E57 L60 | P39-L41 PolarHBondContact O-N 3.2Å; L41-E43 PolarHBondContact O-N 3.38Å; L41-K44 HydrophobicContact CD1-CD 4.14Å; L41-K44 HydrophobicContact CG-CD 4.15Å; L41-K44 WeakPolarHBondContact O-CB 3.43Å; L41-K44 WeakPolarHBondContact O-CD 3.24Å; L41-K44 WeakPolarHBondContact O-CG 3.02Å; L41-K44 PolarHBondContact O-N 2.95Å; L41-K44 VanDerWaalsContact O-N 3.07Å; L41-F56 HydrophobicContact CD1-CE1 4.46Å; L41-E57 HydrophobicContact CD1-CG 3.97Å; L41-L60 HydrophobicContact CD1-CD1 4.32Å |
| 42 | N | 91.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -69.6 | -12.2 | 179.5 | -69.2 | 4.1 | 0 | 0 | 0 | 113.3 | K38 P39 L40 K44 E45 | K38-N42 HydrophobicContact CD-CB 4.39Å; K38-N42 HydrophobicContact CG-CB 4.2Å; P39-N42 VanDerWaalsContact O-CB 3.3Å; P39-N42 WeakPolarHBondContact O-CB 3.23Å; P39-N42 PolarHBondContact O-N 3.21Å; L40-N42 PolarHBondContact O-N 3.2Å; L40-N42 VanDerWaalsContact O-N 3.12Å; N42-K44 PolarHBondContact O-N 2.04Å; N42-E45 PolarHBondContact O-N 3.22Å |
| 43 | E | 90.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -67.6 | -11.6 | 170.5 | -63.5 | -54.5 | 128.2 | 0 | 0 | 112.7 | I13 Y32 K38 L40 L41 E45 N46 F56 | I13-E43 HydrophobicContact CD1-CB 4.26Å; I13-E43 HydrophobicContact CD1-CG 4.04Å; Y32-E43 WeakPolarHBondContact OH-CG 3.38Å; Y32-E43 PolarHBondContact OH-OE1 2.85Å; K38-E43 IonicContact NZ-OE1 2.73Å; K38-E43 PolarHBondContact NZ-OE1 3.29Å; L40-E43 HydrophobicContact CD1-CG 4.1Å; L40-E43 WeakPolarHBondContact O-CB 3.02Å; L40-E43 PolarHBondContact O-N 3.34Å; L41-E43 PolarHBondContact O-N 3.38Å; E43-E45 PolarHBondContact O-N 3.34Å; E43-E45 VanDerWaalsContact O-N 3.12Å; E43-N46 PolarHBondContact O-N 3.14Å; E43-N46 PolarHBondContact OE2-ND2 3.37Å; E43-N46 VanDerWaalsContact OE2-ND2 3.14Å; E43-F56 HydrophobicContact CB-CZ 4.21Å |
| 44 | K | 87.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -55 | -26.3 | 172.8 | 74.4 | -168.6 | -165.4 | 170.2 | 0 | 114.4 | L41 N42 N46 I47 Y53 F56 E57 | L41-K44 HydrophobicContact CD1-CD 4.14Å; L41-K44 HydrophobicContact CG-CD 4.15Å; L41-K44 WeakPolarHBondContact O-CB 3.43Å; L41-K44 WeakPolarHBondContact O-CD 3.24Å; L41-K44 WeakPolarHBondContact O-CG 3.02Å; L41-K44 PolarHBondContact O-N 2.95Å; L41-K44 VanDerWaalsContact O-N 3.07Å; N42-K44 PolarHBondContact O-N 2.04Å; K44-N46 PolarHBondContact O-N 3.26Å; K44-N46 VanDerWaalsContact O-N 3.16Å; K44-I47 WeakPolarHBondContact O-CB 3.46Å; K44-I47 PolarHBondContact O-N 3.44Å; K44-Y53 HydrophobicContact CB-CD2 3.94Å; K44-Y53 HydrophobicContact CB-CE2 3.58Å; K44-Y53 HydrophobicContact CD-CE2 3.5Å; K44-Y53 VanDerWaalsContact CD-OH 3.25Å; K44-Y53 WeakPolarHBondContact CD-OH 3.32Å; K44-Y53 VanDerWaalsContact CE-OH 3.26Å; K44-Y53 WeakPolarHBondContact CE-OH 3.41Å; K44-Y53 HydrophobicContact CG-CD2 4.43Å; K44-Y53 HydrophobicContact CG-CE2 3.63Å; K44-Y53 PolarHBondContact NZ-OH 3.07Å; K44-F56 HydrophobicContact CB-CD1 4.01Å; K44-F56 HydrophobicContact CB-CE1 3.94Å; K44-E57 IonicContact NZ-OE1 3.86Å |
| 45 | E | 85.9 | Confident | 89.3 | Confident | 153 Ų | 153 | 68.6 Ų | 68.6 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -60.5 | -22.6 | 176.3 | -66.3 | 176.3 | 178.9 | 0 | 0 | 112.5 | N42 E43 | N42-E45 PolarHBondContact O-N 3.22Å; E43-E45 PolarHBondContact O-N 3.34Å; E43-E45 VanDerWaalsContact O-N 3.12Å |
| 46 | N | 84.8 | Confident | 89.3 | Confident | 46 Ų | 46 | 63 Ų | 63 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -96.2 | 3.6 | 177.6 | -55.2 | -52.5 | 0 | 0 | 0 | 112.8 | T10 E43 K44 | T10-N46 WeakPolarHBondContact OG1-CB 3.15Å; T10-N46 PolarHBondContact OG1-O 3.08Å; E43-N46 PolarHBondContact O-N 3.14Å; E43-N46 PolarHBondContact OE2-ND2 3.37Å; E43-N46 VanDerWaalsContact OE2-ND2 3.14Å; K44-N46 PolarHBondContact O-N 3.26Å; K44-N46 VanDerWaalsContact O-N 3.16Å |
| 47 | I | 84.4 | Confident | 89.5 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -102.7 | 137.1 | -179.3 | -59.5 | 178.3 | 0 | 0 | 0 | 109.1 | T10 M14 K44 S49 M52 F56 | T10-I47 HydrophobicContact CG2-CD1 4.39Å; T10-I47 HydrophobicContact CG2-CG1 3.56Å; M14-I47 HydrophobicContact SD-CD1 4.36Å; K44-I47 WeakPolarHBondContact O-CB 3.46Å; K44-I47 PolarHBondContact O-N 3.44Å; I47-S49 PolarHBondContact O-N 3.29Å; I47-M52 HydrophobicContact CG2-CB 4.19Å; I47-M52 HydrophobicContact CG2-CG 3.76Å; I47-F56 HydrophobicContact CD1-CB 3.47Å; I47-F56 VanDerWaalsContact CD1-CB 3.47Å; I47-F56 HydrophobicContact CD1-CD1 3.46Å; I47-F56 VanDerWaalsContact CD1-CD1 3.46Å; I47-F56 HydrophobicContact CD1-CD2 3.3Å; I47-F56 HydrophobicContact CD1-CE1 3.9Å; I47-F56 HydrophobicContact CD1-CE2 3.75Å; I47-F56 HydrophobicContact CD1-CG 3.1Å; I47-F56 HydrophobicContact CD1-CZ 4.02Å |
| 48 | K | 79.1 | Confident | 89.6 | Confident | 132 Ų | 132 | 52.5 Ų | 52.5 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 130.2 | 174.1 | -68.4 | 174.2 | -174.9 | 156 | 0 | 109.3 | Y53 E291 | K48-Y53 PolarHBondContact O-N 3.01Å; K48-E291 IonicContact NZ-OE1 2.99Å; K48-E291 PolarHBondContact NZ-OE1 3.02Å; K48-E291 IonicContact NZ-OE2 2.76Å; K48-E291 PolarHBondContact NZ-OE2 3.35Å |
| 49 | S | 78.6 | Confident | 89.8 | Confident | 112 Ų | 112 | 49 Ų | 49 | 78% | 0.783 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 164.1 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | I47 | I47-S49 PolarHBondContact O-N 3.29Š|
| 50 | G | 86.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -139.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | M52 Y53 Q54 | G50-M52 VanDerWaalsContact C-N 3.32Å; G50-M52 PolarHBondContact O-N 2.95Å; G50-Y53 WeakPolarHBondContact O-CB 3Å; G50-Y53 PolarHBondContact O-N 3.18Å; G50-Q54 PolarHBondContact O-N 3Å |
| 51 | L | 88.8 | Confident | 90 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | -170.2 | -67.2 | 168.9 | 0 | 0 | 0 | 113.7 | Q54 L55 V250 Y292 | L51-Q54 PolarHBondContact O-N 2.8Å; L51-L55 PolarHBondContact O-N 2.84Å; L51-V250 HydrophobicContact CD1-CG1 3.68Å; L51-V250 HydrophobicContact CD2-CG1 3.94Å; L51-V250 HydrophobicContact CG-CG1 4.48Å; L51-Y292 HydrophobicContact CB-CD1 3.9Å; L51-Y292 HydrophobicContact CB-CD2 4.38Å; L51-Y292 HydrophobicContact CB-CE1 3.47Å; L51-Y292 VanDerWaalsContact CB-CE1 3.47Å; L51-Y292 HydrophobicContact CB-CE2 4.06Å; L51-Y292 HydrophobicContact CB-CG 4.33Å; L51-Y292 HydrophobicContact CD1-CD1 4.17Å; L51-Y292 HydrophobicContact CD1-CE1 3.64Å; L51-Y292 HydrophobicContact CG-CE1 4.07Å |
| 52 | M | 90.2 | Very high | 90.1 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 177.5 | -168.3 | 64.5 | 176.2 | 0 | 0 | 111.9 | M14 I47 G50 Q54 L55 F56 Y292 A295 | M14-M52 HydrophobicContact CE-CE 3.66Å; M14-M52 HydrophobicContact CG-CE 4.01Å; M14-M52 HydrophobicContact SD-CE 4.16Å; I47-M52 HydrophobicContact CG2-CB 4.19Å; I47-M52 HydrophobicContact CG2-CG 3.76Å; G50-M52 VanDerWaalsContact C-N 3.32Å; G50-M52 PolarHBondContact O-N 2.95Å; M52-Q54 VanDerWaalsContact C-N 3.35Å; M52-L55 PolarHBondContact O-N 3.31Å; M52-L55 HydrophobicContact SD-CD2 4.28Å; M52-F56 PolarHBondContact O-N 2.92Å; M52-F56 VanDerWaalsContact O-N 3.08Å; M52-Y292 HydrophobicContact SD-CD2 4.01Å; M52-A295 HydrophobicContact CE-CB 4.3Å; M52-A295 HydrophobicContact SD-CB 4.41Å |
| 53 | Y | 91.6 | Very high | 90.3 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 171.8 | 174.2 | -80.3 | 0 | 0 | 0 | 110.8 | K44 K48 G50 L55 F56 E57 | K44-Y53 HydrophobicContact CB-CD2 3.94Å; K44-Y53 HydrophobicContact CB-CE2 3.58Å; K44-Y53 HydrophobicContact CD-CE2 3.5Å; K44-Y53 VanDerWaalsContact CD-OH 3.25Å; K44-Y53 WeakPolarHBondContact CD-OH 3.32Å; K44-Y53 VanDerWaalsContact CE-OH 3.26Å; K44-Y53 WeakPolarHBondContact CE-OH 3.41Å; K44-Y53 HydrophobicContact CG-CD2 4.43Å; K44-Y53 HydrophobicContact CG-CE2 3.63Å; K44-Y53 PolarHBondContact NZ-OH 3.07Å; K48-Y53 PolarHBondContact O-N 3.01Å; G50-Y53 WeakPolarHBondContact O-CB 3Å; G50-Y53 PolarHBondContact O-N 3.18Å; Y53-L55 VanDerWaalsContact C-N 3.35Å; Y53-L55 PolarHBondContact O-N 2.76Å; Y53-F56 WeakPolarHBondContact O-CB 3.35Å; Y53-F56 PolarHBondContact O-N 3.41Å; Y53-E57 HydrophobicContact CD1-CG 4.29Å; Y53-E57 HydrophobicContact CE1-CG 3.85Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.44Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.24Å; Y53-E57 PolarHBondContact O-N 2.65Å; Y53-E57 PolarHBondContact OH-OE1 3Å |
| 54 | Q | 93.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.7 | -169.3 | 60.9 | 58.2 | 0 | 0 | 112.4 | G50 L51 M52 F56 E57 D58 L251 | G50-Q54 PolarHBondContact O-N 3Å; L51-Q54 PolarHBondContact O-N 2.8Å; M52-Q54 VanDerWaalsContact C-N 3.35Å; Q54-F56 VanDerWaalsContact C-N 3.33Å; Q54-F56 PolarHBondContact O-N 2.78Å; Q54-E57 PolarHBondContact O-N 2.86Å; Q54-D58 PolarHBondContact NE2-OD1 2.68Å; Q54-D58 WeakPolarHBondContact O-CB 3.5Å; Q54-D58 VanDerWaalsContact O-CG 3.3Å; Q54-D58 PolarHBondContact O-N 3.42Å; Q54-L251 HydrophobicContact CG-CD1 3.38Å; Q54-L251 HydrophobicContact CG-CD2 4.36Å; Q54-L251 HydrophobicContact CG-CG 4.5Å |
| 55 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.7 | -179.7 | 58.4 | 0 | 0 | 0 | 112.2 | M14 L51 M52 Y53 D58 L59 Q254 Y292 A295 L296 | M14-L55 HydrophobicContact CE-CD2 4.31Å; M14-L55 HydrophobicContact CE-CG 4.45Å; L51-L55 PolarHBondContact O-N 2.84Å; M52-L55 PolarHBondContact O-N 3.31Å; M52-L55 HydrophobicContact SD-CD2 4.28Å; Y53-L55 VanDerWaalsContact C-N 3.35Å; Y53-L55 PolarHBondContact O-N 2.76Å; L55-D58 PolarHBondContact O-N 2.85Å; L55-L59 HydrophobicContact CD1-CD1 4.2Å; L55-L59 HydrophobicContact CD1-CG 4.19Å; L55-L59 HydrophobicContact CG-CD1 3.98Å; L55-L59 HydrophobicContact CG-CG 4.45Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CD1 3.18Å; L55-L59 WeakPolarHBondContact O-CG 3.06Å; L55-L59 PolarHBondContact O-N 2.95Å; L55-Q254 HydrophobicContact CD1-CG 4.04Å; L55-Y292 HydrophobicContact CB-CD2 4.48Å; L55-Y292 HydrophobicContact CB-CE2 3.94Å; L55-Y292 HydrophobicContact CD2-CD2 4Å; L55-Y292 HydrophobicContact CD2-CE2 3.89Å; L55-Y292 HydrophobicContact CG-CE2 4.46Å; L55-A295 HydrophobicContact CD2-CB 3.69Å; L55-L296 HydrophobicContact CD1-CD2 4.28Å; L55-L296 HydrophobicContact CD2-CD2 4.34Å |
| 56 | F | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.7 | 179.2 | -105.4 | 0 | 0 | 0 | 111.8 | I13 M14 L17 L41 E43 K44 I47 M52 Y53 Q54 L59 L60 | I13-F56 HydrophobicContact CG2-CE2 3.91Å; M14-F56 HydrophobicContact SD-CB 4.14Å; M14-F56 HydrophobicContact SD-CD2 3.58Å; M14-F56 VanDerWaalsContact SD-CD2 3.58Å; M14-F56 HydrophobicContact SD-CE2 4.46Å; M14-F56 HydrophobicContact SD-CG 4.33Å; L17-F56 HydrophobicContact CD1-CD2 3.75Å; L17-F56 HydrophobicContact CD1-CE2 3.53Å; L41-F56 HydrophobicContact CD1-CE1 4.46Å; E43-F56 HydrophobicContact CB-CZ 4.21Å; K44-F56 HydrophobicContact CB-CD1 4.01Å; K44-F56 HydrophobicContact CB-CE1 3.94Å; I47-F56 HydrophobicContact CD1-CB 3.47Å; I47-F56 VanDerWaalsContact CD1-CB 3.47Å; I47-F56 HydrophobicContact CD1-CD1 3.46Å; I47-F56 VanDerWaalsContact CD1-CD1 3.46Å; I47-F56 HydrophobicContact CD1-CD2 3.3Å; I47-F56 HydrophobicContact CD1-CE1 3.9Å; I47-F56 HydrophobicContact CD1-CE2 3.75Å; I47-F56 HydrophobicContact CD1-CG 3.1Å; I47-F56 HydrophobicContact CD1-CZ 4.02Å; M52-F56 PolarHBondContact O-N 2.92Å; M52-F56 VanDerWaalsContact O-N 3.08Å; Y53-F56 WeakPolarHBondContact O-CB 3.35Å; Y53-F56 PolarHBondContact O-N 3.41Å; Q54-F56 VanDerWaalsContact C-N 3.33Å; Q54-F56 PolarHBondContact O-N 2.78Å; F56-L59 PolarHBondContact O-N 3.41Å; F56-L60 HydrophobicContact CD1-CD1 4.07Å; F56-L60 HydrophobicContact CE1-CD1 3.53Å; F56-L60 HydrophobicContact CE2-CD1 4.05Å; F56-L60 HydrophobicContact CZ-CD1 3.54Å; F56-L60 WeakPolarHBondContact O-CG 3.3Å; F56-L60 PolarHBondContact O-N 3.37Å; F56-L60 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 95.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.1 | -68.8 | -166.2 | 146.5 | 0 | 0 | 111.8 | L41 K44 Y53 Q54 L59 L60 T61 | L41-E57 HydrophobicContact CD1-CG 3.97Å; K44-E57 IonicContact NZ-OE1 3.86Å; Y53-E57 HydrophobicContact CD1-CG 4.29Å; Y53-E57 HydrophobicContact CE1-CG 3.85Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.44Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.24Å; Y53-E57 PolarHBondContact O-N 2.65Å; Y53-E57 PolarHBondContact OH-OE1 3Å; Q54-E57 PolarHBondContact O-N 2.86Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 3.47Å; E57-L60 PolarHBondContact O-N 3.08Å; E57-L60 VanDerWaalsContact O-N 3.12Å; E57-T61 WeakPolarHBondContact O-CB 3.49Å; E57-T61 PolarHBondContact O-N 2.95Å; E57-T61 PolarHBondContact O-OG1 3.32Å |
| 58 | D | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 178.7 | -75.7 | 3.6 | 0 | 0 | 0 | 111.6 | Q54 L55 L60 T61 L66 Q254 R255 L258 | Q54-D58 PolarHBondContact NE2-OD1 2.68Å; Q54-D58 WeakPolarHBondContact O-CB 3.5Å; Q54-D58 VanDerWaalsContact O-CG 3.3Å; Q54-D58 PolarHBondContact O-N 3.42Å; L55-D58 PolarHBondContact O-N 2.85Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.44Å; D58-T61 PolarHBondContact O-N 3.09Å; D58-L66 HydrophobicContact CB-CD1 4.18Å; D58-L66 HydrophobicContact CB-CD2 4.03Å; D58-L66 WeakPolarHBondContact OD1-CD1 3.36Å; D58-Q254 PolarHBondContact OD2-NE2 3.48Å; D58-R255 IonicContact OD1-CZ 3.54Å; D58-R255 IonicContact OD1-NE 3.02Å; D58-R255 IonicContact OD1-NH2 3.65Å; D58-R255 PolarHBondContact OD1-NH2 2.86Å; D58-R255 VanDerWaalsContact OD2-CG 3.24Å; D58-R255 WeakPolarHBondContact OD2-CG 3.39Å; D58-R255 IonicContact OD2-CZ 2.88Å; D58-R255 IonicContact OD2-NE 3.84Å; D58-R255 PolarHBondContact OD2-NE 2.87Å; D58-L258 HydrophobicContact CB-CD2 3.93Å |
| 59 | L | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 174 | -77.9 | 165.7 | 0 | 0 | 0 | 111.8 | M14 L17 L18 R25 L55 F56 E57 L258 | M14-L59 HydrophobicContact CE-CD1 3.7Å; L17-L59 HydrophobicContact CB-CB 4.49Å; L17-L59 HydrophobicContact CB-CD1 4.18Å; L18-L59 HydrophobicContact CD2-CD1 3.85Å; L18-L59 HydrophobicContact CD2-CD2 4.35Å; L18-L59 HydrophobicContact CG-CD1 4.15Å; R25-L59 WeakPolarHBondContact CD-O 3.22Å; R25-L59 PolarHBondContact NE-O 3.09Å; L55-L59 HydrophobicContact CD1-CD1 4.2Å; L55-L59 HydrophobicContact CD1-CG 4.19Å; L55-L59 HydrophobicContact CG-CD1 3.98Å; L55-L59 HydrophobicContact CG-CG 4.45Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CD1 3.18Å; L55-L59 WeakPolarHBondContact O-CG 3.06Å; L55-L59 PolarHBondContact O-N 2.95Å; F56-L59 PolarHBondContact O-N 3.41Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 3.47Å; L59-L258 HydrophobicContact CD2-CD1 3.62Å |
| 60 | L | 95.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -82.2 | -15.9 | -179.7 | -65.5 | 179.9 | 0 | 0 | 0 | 113.5 | L17 Q26 L40 L41 F56 E57 D58 | L17-L60 HydrophobicContact CD1-CD2 3.77Å; L17-L60 HydrophobicContact CD1-CG 4.24Å; L17-L60 HydrophobicContact CD2-CD2 3.73Å; L17-L60 HydrophobicContact CG-CD2 4.42Å; Q26-L60 PolarHBondContact NE2-O 3.1Å; L40-L60 HydrophobicContact CD2-CD2 3.64Å; L40-L60 HydrophobicContact CG-CD1 4.15Å; L40-L60 HydrophobicContact CG-CD2 4.19Å; L41-L60 HydrophobicContact CD1-CD1 4.32Å; F56-L60 HydrophobicContact CD1-CD1 4.07Å; F56-L60 HydrophobicContact CE1-CD1 3.53Å; F56-L60 HydrophobicContact CE2-CD1 4.05Å; F56-L60 HydrophobicContact CZ-CD1 3.54Å; F56-L60 WeakPolarHBondContact O-CG 3.3Å; F56-L60 PolarHBondContact O-N 3.37Å; F56-L60 VanDerWaalsContact O-N 3.15Å; E57-L60 PolarHBondContact O-N 3.08Å; E57-L60 VanDerWaalsContact O-N 3.12Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.44Å |
| 61 | T | 95.4 | Very high | 95 | Very high | 39 Ų | 39 | 22.5 Ų | 22.5 | 24% | 0.239 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -77.5 | 137.6 | -178.2 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | N22 E57 D58 T63 I65 L66 | N22-T61 PolarHBondContact ND2-O 3.27Å; E57-T61 WeakPolarHBondContact O-CB 3.49Å; E57-T61 PolarHBondContact O-N 2.95Å; E57-T61 PolarHBondContact O-OG1 3.32Å; D58-T61 PolarHBondContact O-N 3.09Å; T61-T63 PolarHBondContact O-N 3.23Å; T61-I65 HydrophobicContact CG2-CB 3.86Å; T61-I65 HydrophobicContact CG2-CG2 3.77Å; T61-L66 HydrophobicContact CG2-CB 4.09Å |
| 62 | D | 94.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 22.4 Ų | 22.4 | 26% | 0.257 | 11% | 0.109 | S | C | . | . | trans | -58.5 | 137 | 173.5 | -177.6 | -86.5 | 0 | 0 | 0 | 110.4 | S64 I65 L66 | D62-S64 PolarHBondContact O-N 2.7Å; D62-S64 WeakPolarHBondContact OD1-CA 3.34Å; D62-S64 VanDerWaalsContact OD1-CB 3.22Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 3.44Å; D62-S64 PolarHBondContact OD1-OG 3.45Å; D62-I65 HydrophobicContact CB-CD1 4.09Å; D62-I65 HydrophobicContact CB-CG1 4.2Å; D62-I65 PolarHBondContact O-N 3.08Å; D62-L66 PolarHBondContact O-N 3.43Å | ||
| 63 | T | 94.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.5 | -34.5 | -175 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | N22 T61 I65 L66 L67 F259 S312 I313 | N22-T63 WeakPolarHBondContact CB-OG1 3.47Å; N22-T63 PolarHBondContact ND2-N 3.17Å; N22-T63 PolarHBondContact ND2-OG1 3Å; N22-T63 PolarHBondContact OD1-N 3.14Å; T61-T63 PolarHBondContact O-N 3.23Å; T63-I65 PolarHBondContact O-N 3.32Å; T63-L66 PolarHBondContact O-N 2.76Å; T63-L67 HydrophobicContact CG2-CD1 3.72Å; T63-L67 HydrophobicContact CG2-CG 4.13Å; T63-L67 VanDerWaalsContact O-CB 3.31Å; T63-L67 WeakPolarHBondContact O-CB 3.49Å; T63-L67 VanDerWaalsContact O-CG 3.26Å; T63-L67 WeakPolarHBondContact O-CG 3.41Å; T63-L67 PolarHBondContact O-N 3.39Å; T63-F259 HydrophobicContact CG2-CD1 4.18Å; T63-F259 HydrophobicContact CG2-CE1 4.36Å; T63-S312 WeakPolarHBondContact CG2-O 3.26Å; T63-I313 HydrophobicContact CG2-CG1 4.15Å |
| 64 | S | 95.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 10% | 0.098 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 177.5 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | D62 A68 | D62-S64 PolarHBondContact O-N 2.7Å; D62-S64 WeakPolarHBondContact OD1-CA 3.34Å; D62-S64 VanDerWaalsContact OD1-CB 3.22Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 3.44Å; D62-S64 PolarHBondContact OD1-OG 3.45Å; S64-A68 VanDerWaalsContact O-CB 3.25Å; S64-A68 WeakPolarHBondContact O-CB 3.35Å; S64-A68 PolarHBondContact O-N 3.14Å |
| 65 | I | 97 | Very high | 96.4 | Very high | 53 Ų | 53 | 19.1 Ų | 19.1 | 27% | 0.272 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -68.8 | -44.2 | 176.5 | -61.4 | 176.5 | 0 | 0 | 0 | 110.2 | T61 D62 T63 A68 D69 A101 I104 Y105 | T61-I65 HydrophobicContact CG2-CB 3.86Å; T61-I65 HydrophobicContact CG2-CG2 3.77Å; D62-I65 HydrophobicContact CB-CD1 4.09Å; D62-I65 HydrophobicContact CB-CG1 4.2Å; D62-I65 PolarHBondContact O-N 3.08Å; T63-I65 PolarHBondContact O-N 3.32Å; I65-A68 WeakPolarHBondContact O-CB 3.3Å; I65-A68 PolarHBondContact O-N 3.35Å; I65-D69 PolarHBondContact O-N 3.29Å; I65-A101 HydrophobicContact CG1-CB 4.15Å; I65-I104 HydrophobicContact CD1-CD1 4.25Å; I65-I104 HydrophobicContact CG1-CD1 4.12Å; I65-I104 HydrophobicContact CG2-CD1 4.05Å; I65-Y105 WeakPolarHBondContact CG2-OH 3.32Å |
| 66 | L | 96.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | -179.7 | -167.3 | 64.6 | 0 | 0 | 0 | 112 | D58 T61 D62 T63 E70 L258 F259 | D58-L66 HydrophobicContact CB-CD1 4.18Å; D58-L66 HydrophobicContact CB-CD2 4.03Å; D58-L66 WeakPolarHBondContact OD1-CD1 3.36Å; T61-L66 HydrophobicContact CG2-CB 4.09Å; D62-L66 PolarHBondContact O-N 3.43Å; T63-L66 PolarHBondContact O-N 2.76Å; L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 PolarHBondContact O-N 3.03Å; L66-L258 HydrophobicContact CD2-CD2 3.77Å; L66-F259 HydrophobicContact CB-CE1 3.96Å; L66-F259 HydrophobicContact CB-CZ 4.24Å; L66-F259 HydrophobicContact CD2-CE1 3.65Å; L66-F259 HydrophobicContact CD2-CZ 4.01Å; L66-F259 HydrophobicContact CG-CE1 3.73Å; L66-F259 HydrophobicContact CG-CZ 3.74Å |
| 67 | L | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 172.6 | -76.4 | 166.7 | 0 | 0 | 0 | 112 | T63 E70 L71 I86 F90 V98 F259 I313 | T63-L67 HydrophobicContact CG2-CD1 3.72Å; T63-L67 HydrophobicContact CG2-CG 4.13Å; T63-L67 VanDerWaalsContact O-CB 3.31Å; T63-L67 WeakPolarHBondContact O-CB 3.49Å; T63-L67 VanDerWaalsContact O-CG 3.26Å; T63-L67 WeakPolarHBondContact O-CG 3.41Å; T63-L67 PolarHBondContact O-N 3.39Å; L67-E70 PolarHBondContact O-N 3.44Å; L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 2.98Å; L67-I86 HydrophobicContact CD2-CG2 4.39Å; L67-F90 HydrophobicContact CB-CZ 4.18Å; L67-F90 HydrophobicContact CD1-CE1 3.59Å; L67-F90 HydrophobicContact CD1-CZ 3.94Å; L67-F90 HydrophobicContact CD2-CE1 3.99Å; L67-F90 HydrophobicContact CD2-CZ 4.17Å; L67-F90 HydrophobicContact CG-CE1 4.27Å; L67-F90 HydrophobicContact CG-CZ 4.33Å; L67-V98 HydrophobicContact CB-CG1 4.45Å; L67-V98 HydrophobicContact CB-CG2 3.97Å; L67-V98 HydrophobicContact CD1-CG2 4.14Å; L67-F259 HydrophobicContact CD2-CD1 3.97Å; L67-F259 HydrophobicContact CD2-CD2 4.09Å; L67-F259 HydrophobicContact CD2-CE1 3.74Å; L67-F259 HydrophobicContact CD2-CE2 3.89Å; L67-F259 HydrophobicContact CD2-CG 4.15Å; L67-F259 HydrophobicContact CD2-CZ 3.71Å; L67-F259 HydrophobicContact CG-CD1 4.18Å; L67-F259 HydrophobicContact CG-CE1 3.72Å; L67-F259 HydrophobicContact CG-CZ 4Å; L67-I313 HydrophobicContact CD1-CD1 4.31Å; L67-I313 HydrophobicContact CD1-CG1 3.82Å |
| 68 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S64 I65 E70 L71 Y72 V98 A101 Y105 | S64-A68 VanDerWaalsContact O-CB 3.25Å; S64-A68 WeakPolarHBondContact O-CB 3.35Å; S64-A68 PolarHBondContact O-N 3.14Å; I65-A68 WeakPolarHBondContact O-CB 3.3Å; I65-A68 PolarHBondContact O-N 3.35Å; A68-E70 VanDerWaalsContact C-N 3.33Å; A68-L71 PolarHBondContact O-N 3.22Å; A68-Y72 WeakPolarHBondContact O-CB 3.38Å; A68-Y72 PolarHBondContact O-N 2.94Å; A68-V98 HydrophobicContact CB-CG1 4.13Å; A68-A101 HydrophobicContact CB-CB 3.72Å; A68-Y105 HydrophobicContact CB-CD2 4.39Å; A68-Y105 HydrophobicContact CB-CE2 4.18Å |
| 69 | D | 97.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 171.6 | -175 | 21.6 | 0 | 0 | 0 | 110.5 | I65 L71 Y72 R73 Y105 R255 | I65-D69 PolarHBondContact O-N 3.29Å; D69-L71 VanDerWaalsContact C-N 3.34Å; D69-L71 PolarHBondContact O-N 2.86Å; D69-Y72 WeakPolarHBondContact O-CB 3.39Å; D69-Y72 PolarHBondContact O-N 3.19Å; D69-Y72 VanDerWaalsContact O-N 3.13Å; D69-R73 WeakPolarHBondContact O-CG 3.23Å; D69-R73 PolarHBondContact O-N 2.72Å; D69-Y105 HydrophobicContact CB-CE1 4.05Å; D69-Y105 HydrophobicContact CB-CE2 3.79Å; D69-Y105 WeakPolarHBondContact CB-OH 3.32Å; D69-R255 IonicContact OD2-CZ 3.27Å; D69-R255 IonicContact OD2-NH1 3.76Å; D69-R255 PolarHBondContact OD2-NH1 3.4Å; D69-R255 IonicContact OD2-NH2 3.59Å; D69-R255 PolarHBondContact OD2-NH2 3.17Å |
| 70 | E | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | -177.6 | -160.8 | 52.7 | -136.1 | 0 | 0 | 112.6 | L66 L67 A68 R73 A74 R82 I86 R255 F259 | L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 PolarHBondContact O-N 3.03Å; L67-E70 PolarHBondContact O-N 3.44Å; A68-E70 VanDerWaalsContact C-N 3.33Å; E70-R73 IonicContact OE1-NH1 2.77Å; E70-R73 PolarHBondContact OE1-NH1 3Å; E70-R73 IonicContact OE2-NH1 3.64Å; E70-R73 PolarHBondContact OE2-NH1 2.76Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 3.24Å; E70-R82 VanDerWaalsContact CD-NH2 3.27Å; E70-R82 IonicContact OE1-CZ 2.74Å; E70-R82 IonicContact OE1-NE 2.73Å; E70-R82 PolarHBondContact OE1-NE 2.88Å; E70-R82 IonicContact OE1-NH1 3.24Å; E70-R82 IonicContact OE1-NH2 3.69Å; E70-R82 PolarHBondContact OE1-NH2 3.14Å; E70-R82 IonicContact OE2-NH2 3.21Å; E70-I86 HydrophobicContact CB-CD1 4.13Å; E70-I86 HydrophobicContact CG-CD1 3.95Å; E70-R255 WeakPolarHBondContact OE2-CD 3.5Å; E70-R255 IonicContact OE2-CZ 3.96Å; E70-R255 IonicContact OE2-NE 2.84Å; E70-R255 IonicContact OE2-NH1 2.68Å; E70-R255 PolarHBondContact OE2-NH1 3.01Å; E70-F259 HydrophobicContact CB-CE2 4.29Å; E70-F259 HydrophobicContact CB-CZ 4.35Å; E70-F259 HydrophobicContact CG-CE2 4.24Å |
| 71 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 172.2 | -177.5 | 61.1 | 0 | 0 | 0 | 111.1 | L67 A68 D69 A74 I75 T83 I86 L87 V98 Y102 F110 | L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 2.98Å; A68-L71 PolarHBondContact O-N 3.22Å; D69-L71 VanDerWaalsContact C-N 3.34Å; D69-L71 PolarHBondContact O-N 2.86Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CD1-CG1 4.25Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 WeakPolarHBondContact O-CD1 3.36Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.89Å; L71-T83 HydrophobicContact CD1-CG2 3.93Å; L71-I86 HydrophobicContact CB-CD1 4.34Å; L71-I86 HydrophobicContact CB-CG2 4.45Å; L71-I86 HydrophobicContact CD1-CG2 4.43Å; L71-L87 HydrophobicContact CD1-CD2 4.35Å; L71-L87 HydrophobicContact CD1-CG 4.21Å; L71-L87 HydrophobicContact CD2-CD2 4.09Å; L71-V98 HydrophobicContact CD2-CG1 4.33Å; L71-Y102 HydrophobicContact CD2-CD2 4.3Å; L71-Y102 HydrophobicContact CD2-CE2 4.45Å; L71-Y102 HydrophobicContact CG-CD2 4.48Å; L71-Y102 HydrophobicContact CG-CE2 4.25Å; L71-F110 HydrophobicContact CD2-CB 4.16Å; L71-F110 HydrophobicContact CD2-CD1 4.05Å; L71-F110 HydrophobicContact CD2-CD2 4.16Å; L71-F110 HydrophobicContact CD2-CE1 4.47Å; L71-F110 HydrophobicContact CD2-CG 3.89Å |
| 72 | Y | 98.2 | Very high | 97 | Very high | 73 Ų | 73 | 32.4 Ų | 32.4 | 29% | 0.286 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 176.5 | 176.5 | -98.7 | 0 | 0 | 0 | 111.3 | A68 D69 A74 I75 M76 Y102 Y105 | A68-Y72 WeakPolarHBondContact O-CB 3.38Å; A68-Y72 PolarHBondContact O-N 2.94Å; D69-Y72 WeakPolarHBondContact O-CB 3.39Å; D69-Y72 PolarHBondContact O-N 3.19Å; D69-Y72 VanDerWaalsContact O-N 3.13Å; Y72-A74 VanDerWaalsContact C-N 3.33Å; Y72-A74 PolarHBondContact O-N 3.01Å; Y72-I75 PolarHBondContact O-N 3.38Å; Y72-M76 HydrophobicContact CD1-CG 4.22Å; Y72-M76 HydrophobicContact CD2-CG 4.12Å; Y72-M76 HydrophobicContact CE1-CG 3.84Å; Y72-M76 HydrophobicContact CE2-CE 4.41Å; Y72-M76 HydrophobicContact CE2-CG 3.72Å; Y72-M76 HydrophobicContact CE2-SD 4.02Å; Y72-M76 HydrophobicContact CG-CG 4.35Å; Y72-M76 WeakPolarHBondContact O-CB 3.49Å; Y72-M76 VanDerWaalsContact O-CG 3.29Å; Y72-M76 WeakPolarHBondContact O-CG 3.19Å; Y72-M76 PolarHBondContact O-N 2.76Å; Y72-Y102 HydrophobicContact CD2-CE2 4.18Å; Y72-Y102 AromaticContact CD2-CZ 3.88Å; Y72-Y102 HydrophobicContact CG-CE2 4.43Å; Y72-Y105 HydrophobicContact CD1-CG 4.48Å; Y72-Y105 WeakPolarHBondContact CE2-O 3.35Å; Y72-Y105 HydrophobicContact CG-CG 4.32Å |
| 73 | R | 97.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 30.1 Ų | 30.1 | 28% | 0.275 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.2 | -47.7 | 176.4 | -70.9 | 177.7 | 69.4 | -124.7 | -1.3 | 111.4 | D69 E70 M76 S77 D249 | D69-R73 WeakPolarHBondContact O-CG 3.23Å; D69-R73 PolarHBondContact O-N 2.72Å; E70-R73 IonicContact OE1-NH1 2.77Å; E70-R73 PolarHBondContact OE1-NH1 3Å; E70-R73 IonicContact OE2-NH1 3.64Å; E70-R73 PolarHBondContact OE2-NH1 2.76Å; R73-M76 PolarHBondContact O-N 3.49Å; R73-S77 WeakPolarHBondContact O-CB 3.5Å; R73-S77 PolarHBondContact O-N 3.45Å; R73-S77 PolarHBondContact O-OG 3.48Å; R73-D249 IonicContact NH1-OD1 3.49Å; R73-D249 IonicContact NH1-OD2 2.93Å; R73-D249 IonicContact NH2-OD1 3.16Å; R73-D249 PolarHBondContact NH2-OD1 3.3Å; R73-D249 IonicContact NH2-OD2 4Å |
| 74 | A | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | E70 L71 Y72 S77 S78 D79 R82 | E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 3.24Å; L71-A74 PolarHBondContact O-N 3.49Å; Y72-A74 VanDerWaalsContact C-N 3.33Å; Y72-A74 PolarHBondContact O-N 3.01Å; A74-S77 PolarHBondContact O-OG 3.48Å; A74-S78 PolarHBondContact O-N 3.39Å; A74-D79 PolarHBondContact O-N 2.7Å; A74-R82 HydrophobicContact CB-CB 3.91Å; A74-R82 HydrophobicContact CB-CG 3.87Å |
| 75 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.5 | -45.1 | 178.2 | -62.4 | 161.3 | 0 | 0 | 0 | 110.2 | L71 Y72 S77 S78 T83 Y102 F110 I114 H117 F118 | L71-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CD1-CG1 4.25Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 WeakPolarHBondContact O-CD1 3.36Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.89Å; Y72-I75 PolarHBondContact O-N 3.38Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.8Å; I75-S78 WeakPolarHBondContact O-CA 3.38Å; I75-S78 PolarHBondContact O-N 3.04Å; I75-T83 HydrophobicContact CG1-CG2 3.89Å; I75-Y102 HydrophobicContact CD1-CE2 4.29Å; I75-F110 HydrophobicContact CD1-CB 4.02Å; I75-I114 HydrophobicContact CD1-CD1 4.32Å; I75-I114 HydrophobicContact CD1-CG1 3.75Å; I75-I114 HydrophobicContact CG1-CG1 4.03Å; I75-H117 HydrophobicContact CG2-CB 4.1Å; I75-H117 PolarHBondContact O-ND1 3.43Å; I75-F118 HydrophobicContact CG1-CE2 4.36Å; I75-F118 HydrophobicContact CG2-CE2 4.2Å |
| 76 | M | 97.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 27.3 Ų | 27.3 | 35% | 0.345 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.6 | -34.4 | -178.5 | -68 | -57.4 | 98.6 | 0 | 0 | 112.6 | Y72 R73 S78 H117 | Y72-M76 HydrophobicContact CD1-CG 4.22Å; Y72-M76 HydrophobicContact CD2-CG 4.12Å; Y72-M76 HydrophobicContact CE1-CG 3.84Å; Y72-M76 HydrophobicContact CE2-CE 4.41Å; Y72-M76 HydrophobicContact CE2-CG 3.72Å; Y72-M76 HydrophobicContact CE2-SD 4.02Å; Y72-M76 HydrophobicContact CG-CG 4.35Å; Y72-M76 WeakPolarHBondContact O-CB 3.49Å; Y72-M76 VanDerWaalsContact O-CG 3.29Å; Y72-M76 WeakPolarHBondContact O-CG 3.19Å; Y72-M76 PolarHBondContact O-N 2.76Å; R73-M76 PolarHBondContact O-N 3.49Å; M76-S78 PolarHBondContact O-N 3.01Å; M76-H117 VanDerWaalsContact CE-NE2 3.34Å; M76-H117 WeakPolarHBondContact CE-NE2 3.23Å |
| 77 | S | 96.4 | Very high | 97.4 | Very high | 80 Ų | 80 | 27.1 Ų | 27.1 | 56% | 0.559 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.6 | 173.1 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | R73 A74 I75 D79 | R73-S77 WeakPolarHBondContact O-CB 3.5Å; R73-S77 PolarHBondContact O-N 3.45Å; R73-S77 PolarHBondContact O-OG 3.48Å; A74-S77 PolarHBondContact O-OG 3.48Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.8Å; S77-D79 PolarHBondContact O-N 2.66Å |
| 78 | S | 97.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 26.9 Ų | 26.9 | 46% | 0.462 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 32.4 | -174.5 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | A74 I75 M76 L80 H117 F118 | A74-S78 PolarHBondContact O-N 3.39Å; I75-S78 WeakPolarHBondContact O-CA 3.38Å; I75-S78 PolarHBondContact O-N 3.04Å; M76-S78 PolarHBondContact O-N 3.01Å; S78-L80 PolarHBondContact O-N 2.75Å; S78-H117 PolarHBondContact OG-ND1 2.84Å; S78-F118 WeakPolarHBondContact O-CE1 3.14Å |
| 79 | D | 96.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | trans | -83.9 | 87.4 | 172.7 | -170 | -19.9 | 0 | 0 | 0 | 110.4 | A74 S77 R81 R82 T83 | A74-D79 PolarHBondContact O-N 2.7Å; S77-D79 PolarHBondContact O-N 2.66Å; D79-R81 VanDerWaalsContact C-N 3.25Å; D79-R81 PolarHBondContact O-N 3.06Å; D79-R81 WeakPolarHBondContact OD1-CB 3.16Å; D79-R81 PolarHBondContact OD1-N 3.03Å; D79-R82 HydrophobicContact CB-CB 4.11Å; D79-R82 VanDerWaalsContact CG-CB 3.41Å; D79-R82 PolarHBondContact O-N 2.92Å; D79-R82 WeakPolarHBondContact OD1-CB 3.29Å; D79-R82 PolarHBondContact OD1-N 3.43Å; D79-R82 WeakPolarHBondContact OD2-CB 3.35Å; D79-T83 WeakPolarHBondContact O-CB 3.44Å; D79-T83 PolarHBondContact O-N 2.61Å; D79-T83 PolarHBondContact O-OG1 2.82Å | ||
| 80 | L | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -33.5 | 177.4 | -179.5 | 59 | 0 | 0 | 0 | 112.2 | S78 T84 F118 V122 L126 Q216 I220 | S78-L80 PolarHBondContact O-N 2.75Å; L80-T84 VanDerWaalsContact O-CB 3.26Å; L80-T84 WeakPolarHBondContact O-CB 3.32Å; L80-T84 PolarHBondContact O-N 3.45Å; L80-T84 PolarHBondContact O-OG1 3.37Å; L80-F118 HydrophobicContact CB-CD1 3.96Å; L80-F118 HydrophobicContact CB-CE1 3.64Å; L80-F118 HydrophobicContact CB-CZ 4.17Å; L80-F118 HydrophobicContact CD1-CD1 4.12Å; L80-F118 HydrophobicContact CD1-CD2 4.27Å; L80-F118 HydrophobicContact CD1-CE1 4.34Å; L80-F118 HydrophobicContact CD1-CE2 4.47Å; L80-F118 HydrophobicContact CD1-CG 4.08Å; L80-F118 HydrophobicContact CG-CD1 4.47Å; L80-V122 HydrophobicContact CD1-CG1 3.73Å; L80-L126 HydrophobicContact CD1-CD1 4.4Å; L80-Q216 HydrophobicContact CD2-CB 3.46Å; L80-Q216 VanDerWaalsContact CD2-CB 3.46Å; L80-Q216 HydrophobicContact CD2-CG 3.6Å; L80-I220 HydrophobicContact CD1-CD1 4.29Å; L80-I220 HydrophobicContact CD1-CG1 4.39Å; L80-I220 HydrophobicContact CD2-CD1 4.34Å; L80-I220 HydrophobicContact CD2-CG1 4.32Å; L80-I220 HydrophobicContact CG-CG1 4.49Å |
| 81 | R | 97.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 37% | 0.37 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65 | -47.1 | -177 | -179.9 | -179.9 | 177.3 | 171.2 | 0.1 | 109.6 | D79 T84 S85 T237 L238 D241 | D79-R81 VanDerWaalsContact C-N 3.25Å; D79-R81 PolarHBondContact O-N 3.06Å; D79-R81 WeakPolarHBondContact OD1-CB 3.16Å; D79-R81 PolarHBondContact OD1-N 3.03Å; R81-T84 PolarHBondContact O-N 3.17Å; R81-S85 PolarHBondContact O-N 3.11Å; R81-S85 PolarHBondContact O-OG 2.88Å; R81-T237 PolarHBondContact NH2-O 3.37Å; R81-L238 HydrophobicContact CG-CD2 3.99Å; R81-D241 IonicContact CZ-OD2 3.73Å; R81-D241 IonicContact NH1-OD2 3.72Å; R81-D241 PolarHBondContact NH1-OD2 2.9Å; R81-D241 IonicContact NH2-OD2 2.69Å; R81-D241 PolarHBondContact NH2-OD2 3.45Å |
| 82 | R | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 27 Ų | 27 | 4% | 0.038 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.8 | -42.3 | 178.4 | -168.3 | 167.8 | -168.5 | 134.1 | 9.9 | 112.9 | E70 A74 D79 T84 S85 I86 D249 G252 F256 | E70-R82 VanDerWaalsContact CD-NH2 3.27Å; E70-R82 IonicContact OE1-CZ 2.74Å; E70-R82 IonicContact OE1-NE 2.73Å; E70-R82 PolarHBondContact OE1-NE 2.88Å; E70-R82 IonicContact OE1-NH1 3.24Å; E70-R82 IonicContact OE1-NH2 3.69Å; E70-R82 PolarHBondContact OE1-NH2 3.14Å; E70-R82 IonicContact OE2-NH2 3.21Å; A74-R82 HydrophobicContact CB-CB 3.91Å; A74-R82 HydrophobicContact CB-CG 3.87Å; D79-R82 HydrophobicContact CB-CB 4.11Å; D79-R82 VanDerWaalsContact CG-CB 3.41Å; D79-R82 PolarHBondContact O-N 2.92Å; D79-R82 WeakPolarHBondContact OD1-CB 3.29Å; D79-R82 PolarHBondContact OD1-N 3.43Å; D79-R82 WeakPolarHBondContact OD2-CB 3.35Å; R82-T84 VanDerWaalsContact C-N 3.28Å; R82-T84 PolarHBondContact O-N 3.44Å; R82-S85 WeakPolarHBondContact CA-OG 3.41Å; R82-S85 PolarHBondContact O-N 3.47Å; R82-S85 PolarHBondContact O-OG 2.99Å; R82-I86 HydrophobicContact CG-CD1 4.3Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.38Å; R82-I86 VanDerWaalsContact O-N 3.14Å; R82-D249 IonicContact CZ-OD2 2.75Å; R82-D249 IonicContact NH1-OD2 2.86Å; R82-D249 PolarHBondContact NH1-OD2 2.86Å; R82-G252 PolarHBondContact NH2-O 3.35Å; R82-F256 HydrophobicContact CG-CE2 4.49Å; R82-F256 HydrophobicContact CG-CZ 4.46Å |
| 83 | T | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55 | -47 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | L71 I75 D79 L87 I114 F118 | L71-T83 HydrophobicContact CD1-CG2 3.93Å; I75-T83 HydrophobicContact CG1-CG2 3.89Å; D79-T83 WeakPolarHBondContact O-CB 3.44Å; D79-T83 PolarHBondContact O-N 2.61Å; D79-T83 PolarHBondContact O-OG1 2.82Å; T83-L87 HydrophobicContact CG2-CD1 4.12Å; T83-L87 WeakPolarHBondContact O-CG 3.17Å; T83-L87 PolarHBondContact O-N 2.9Å; T83-I114 HydrophobicContact CG2-CD1 4.18Å; T83-I114 HydrophobicContact CG2-CG1 4.19Å; T83-F118 HydrophobicContact CG2-CE2 4.22Å |
| 84 | T | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L80 R81 R82 I86 L87 I88 L126 I220 A223 | L80-T84 VanDerWaalsContact O-CB 3.26Å; L80-T84 WeakPolarHBondContact O-CB 3.32Å; L80-T84 PolarHBondContact O-N 3.45Å; L80-T84 PolarHBondContact O-OG1 3.37Å; R81-T84 PolarHBondContact O-N 3.17Å; R82-T84 VanDerWaalsContact C-N 3.28Å; R82-T84 PolarHBondContact O-N 3.44Å; T84-I86 PolarHBondContact O-N 3.01Å; T84-L87 PolarHBondContact O-N 3.07Å; T84-I88 HydrophobicContact CG2-CD1 4.39Å; T84-I88 HydrophobicContact CG2-CG2 3.85Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.45Å; T84-I88 WeakPolarHBondContact O-CG2 3.38Å; T84-I88 PolarHBondContact O-N 3.12Å; T84-L126 HydrophobicContact CG2-CD2 4.08Å; T84-I220 HydrophobicContact CG2-CG1 4.44Å; T84-I220 HydrophobicContact CG2-CG2 4.36Å; T84-A223 HydrophobicContact CG2-CB 3.92Å |
| 85 | S | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -31.4 | -177.3 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | R81 R82 Y234 | R81-S85 PolarHBondContact O-N 3.11Å; R81-S85 PolarHBondContact O-OG 2.88Å; R82-S85 WeakPolarHBondContact CA-OG 3.41Å; R82-S85 PolarHBondContact O-N 3.47Å; R82-S85 PolarHBondContact O-OG 2.99Å; S85-Y234 WeakPolarHBondContact CA-OH 3.48Å; S85-Y234 VanDerWaalsContact CB-OH 3.31Å; S85-Y234 WeakPolarHBondContact CB-OH 3.43Å |
| 86 | I | 97 | Very high | 95.4 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.2 | -55.2 | 176.3 | -66.5 | 165.9 | 0 | 0 | 0 | 109.6 | L67 E70 L71 R82 T84 I88 D89 F90 | L67-I86 HydrophobicContact CD2-CG2 4.39Å; E70-I86 HydrophobicContact CB-CD1 4.13Å; E70-I86 HydrophobicContact CG-CD1 3.95Å; L71-I86 HydrophobicContact CB-CD1 4.34Å; L71-I86 HydrophobicContact CB-CG2 4.45Å; L71-I86 HydrophobicContact CD1-CG2 4.43Å; R82-I86 HydrophobicContact CG-CD1 4.3Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.38Å; R82-I86 VanDerWaalsContact O-N 3.14Å; T84-I86 PolarHBondContact O-N 3.01Å; I86-I88 PolarHBondContact O-N 2.91Å; I86-D89 PolarHBondContact O-N 3.23Å; I86-D89 VanDerWaalsContact O-N 3.11Å; I86-F90 HydrophobicContact CG2-CE1 3.99Å; I86-F90 HydrophobicContact CG2-CE2 3.84Å; I86-F90 HydrophobicContact CG2-CZ 3.28Å |
| 87 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -33.6 | -173.7 | -67.8 | 174.5 | 0 | 0 | 0 | 113.9 | L71 T83 T84 D89 F90 F95 F110 I114 L126 V130 | L71-L87 HydrophobicContact CD1-CD2 4.35Å; L71-L87 HydrophobicContact CD1-CG 4.21Å; L71-L87 HydrophobicContact CD2-CD2 4.09Å; T83-L87 HydrophobicContact CG2-CD1 4.12Å; T83-L87 WeakPolarHBondContact O-CG 3.17Å; T83-L87 PolarHBondContact O-N 2.9Å; T84-L87 PolarHBondContact O-N 3.07Å; L87-D89 PolarHBondContact O-N 3.39Å; L87-F90 HydrophobicContact CD2-CE2 4.46Å; L87-F95 WeakPolarHBondContact O-CE1 3.39Å; L87-F95 WeakPolarHBondContact O-CZ 3.33Å; L87-F110 HydrophobicContact CD2-CE2 3.96Å; L87-F110 HydrophobicContact CD2-CZ 4.28Å; L87-I114 HydrophobicContact CD1-CD1 3.7Å; L87-L126 HydrophobicContact CD1-CB 4.47Å; L87-L126 HydrophobicContact CD1-CD1 4.16Å; L87-V130 HydrophobicContact CB-CG2 4.36Å |
| 88 | I | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.1 | 178.4 | 73.7 | 179 | 0 | 0 | 0 | 112.9 | T84 I86 I129 R133 A223 Y227 Y234 | T84-I88 HydrophobicContact CG2-CD1 4.39Å; T84-I88 HydrophobicContact CG2-CG2 3.85Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.45Å; T84-I88 WeakPolarHBondContact O-CG2 3.38Å; T84-I88 PolarHBondContact O-N 3.12Å; I86-I88 PolarHBondContact O-N 2.91Å; I88-I129 HydrophobicContact CG2-CG2 4.08Å; I88-R133 PolarHBondContact O-NH1 2.92Å; I88-R133 PolarHBondContact O-NH2 3.44Å; I88-A223 HydrophobicContact CD1-CB 4.34Å; I88-Y227 HydrophobicContact CD1-CD2 3.79Å; I88-Y227 HydrophobicContact CD1-CG 3.85Å; I88-Y227 HydrophobicContact CG1-CD2 3.89Å; I88-Y227 HydrophobicContact CG1-CE2 4.23Å; I88-Y227 HydrophobicContact CG1-CG 4.22Å; I88-Y227 VanDerWaalsContact O-CZ 3.29Å; I88-Y227 PolarHBondContact O-OH 3.44Å; I88-Y234 HydrophobicContact CD1-CE1 4.03Å |
| 89 | D | 94.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -24.6 | -178.4 | -157.5 | 37.7 | 0 | 0 | 0 | 113.6 | I86 L87 Y227 K231 F235 R260 S312 | I86-D89 PolarHBondContact O-N 3.23Å; I86-D89 VanDerWaalsContact O-N 3.11Å; L87-D89 PolarHBondContact O-N 3.39Å; D89-Y227 WeakPolarHBondContact CA-OH 3.43Å; D89-Y227 HydrophobicContact CB-CE2 4.19Å; D89-Y227 WeakPolarHBondContact OD1-CE2 3.44Å; D89-Y227 PolarHBondContact OD1-OH 3.2Å; D89-K231 WeakPolarHBondContact OD1-CE 3.41Å; D89-K231 IonicContact OD1-NZ 3.8Å; D89-K231 PolarHBondContact OD1-NZ 2.7Å; D89-F235 HydrophobicContact CB-CZ 4.17Å; D89-R260 IonicContact OD1-NH1 3.89Å; D89-R260 IonicContact OD2-CZ 3.62Å; D89-R260 IonicContact OD2-NH1 3.32Å; D89-R260 PolarHBondContact OD2-NH1 2.87Å; D89-S312 PolarHBondContact OD2-OG 3.47Å |
| 90 | F | 94.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | trans | -72 | 151.3 | -177.9 | -59.1 | -18.3 | 0 | 0 | 0 | 113.2 | L67 I86 L87 E94 F95 V98 | L67-F90 HydrophobicContact CB-CZ 4.18Å; L67-F90 HydrophobicContact CD1-CE1 3.59Å; L67-F90 HydrophobicContact CD1-CZ 3.94Å; L67-F90 HydrophobicContact CD2-CE1 3.99Å; L67-F90 HydrophobicContact CD2-CZ 4.17Å; L67-F90 HydrophobicContact CG-CE1 4.27Å; L67-F90 HydrophobicContact CG-CZ 4.33Å; I86-F90 HydrophobicContact CG2-CE1 3.99Å; I86-F90 HydrophobicContact CG2-CE2 3.84Å; I86-F90 HydrophobicContact CG2-CZ 3.28Å; L87-F90 HydrophobicContact CD2-CE2 4.46Å; F90-E94 HydrophobicContact CB-CB 4.04Å; F90-E94 HydrophobicContact CD1-CB 4.5Å; F90-E94 HydrophobicContact CG-CB 4.27Å; F90-F95 HydrophobicContact CB-CD1 3.88Å; F90-F95 HydrophobicContact CB-CD2 3.99Å; F90-F95 HydrophobicContact CB-CE1 3.5Å; F90-F95 VanDerWaalsContact CB-CE1 3.5Å; F90-F95 HydrophobicContact CB-CE2 3.64Å; F90-F95 HydrophobicContact CB-CG 4.11Å; F90-F95 HydrophobicContact CB-CZ 3.39Å; F90-F95 AromaticContact CD2-CD1 3.65Å; F90-F95 HydrophobicContact CD2-CD1 3.65Å; F90-F95 AromaticContact CD2-CE1 3.67Å; F90-F95 HydrophobicContact CD2-CE1 3.67Å; F90-F95 HydrophobicContact CD2-CG 4.38Å; F90-F95 HydrophobicContact CD2-CZ 4.46Å; F90-F95 HydrophobicContact CG-CD1 4.28Å; F90-F95 HydrophobicContact CG-CE1 4.07Å; F90-F95 HydrophobicContact CG-CZ 4.42Å; F90-F95 VanDerWaalsContact O-CE2 3.3Å; F90-F95 WeakPolarHBondContact O-CE2 3.34Å; F90-F95 WeakPolarHBondContact O-CZ 3.4Å; F90-V98 HydrophobicContact CE1-CG2 4.42Å; F90-V98 HydrophobicContact CE2-CB 3.96Å; F90-V98 HydrophobicContact CE2-CG1 3.92Å; F90-V98 HydrophobicContact CE2-CG2 3.82Å; F90-V98 HydrophobicContact CZ-CB 4.31Å; F90-V98 HydrophobicContact CZ-CG1 4.17Å; F90-V98 HydrophobicContact CZ-CG2 3.73Å | ||
| 91 | W | 92.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | trans | -134 | 157.6 | 173.9 | -71.4 | 92.4 | 0 | 0 | 0 | 110.9 | D93 E94 R133 E136 D186 P187 F188 Y309 | W91-D93 PolarHBondContact O-N 2.75Å; W91-E94 WeakPolarHBondContact CA-OE2 3.27Å; W91-E94 PolarHBondContact N-OE2 3.03Å; W91-E94 VanDerWaalsContact O-CB 3.23Å; W91-E94 WeakPolarHBondContact O-CB 3.44Å; W91-E94 WeakPolarHBondContact O-CG 3.35Å; W91-E94 PolarHBondContact O-N 3.38Å; W91-E94 VanDerWaalsContact O-N 3.08Å; W91-R133 HydrophobicContact CD2-CB 4.3Å; W91-R133 HydrophobicContact CD2-CG 4.5Å; W91-R133 HydrophobicContact CE3-CB 3.91Å; W91-R133 HydrophobicContact CE3-CG 4.22Å; W91-R133 HydrophobicContact CH2-CG 4.29Å; W91-R133 HydrophobicContact CZ3-CB 4.18Å; W91-R133 HydrophobicContact CZ3-CG 4.09Å; W91-E136 HydrophobicContact CB-CG 4.39Å; W91-E136 HydrophobicContact CE3-CG 4.07Å; W91-D186 HydrophobicContact CH2-CB 4.39Å; W91-P187 HydrophobicContact CH2-CG 4.3Å; W91-P187 HydrophobicContact CZ2-CG 3.93Å; W91-F188 HydrophobicContact CH2-CD2 4.1Å; W91-F188 AromaticContact CH2-CE2 3.57Å; W91-F188 HydrophobicContact CH2-CE2 3.57Å; W91-F188 HydrophobicContact CH2-CZ 4.47Å; W91-F188 AromaticContact CZ2-CE2 3.78Å; W91-F188 HydrophobicContact CZ2-CE2 3.78Å; W91-F188 HydrophobicContact CZ2-CZ 4.26Å; W91-Y309 HydrophobicContact CD2-CD1 4.39Å; W91-Y309 PolarHBondContact NE1-O 3Å | ||
| 92 | G | 91 | Very high | 95.2 | Very high | 16 Ų | 16 | 23 Ų | 23 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -128.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E94 R133 K134 | G92-E94 VanDerWaalsContact C-N 3.33Å; G92-R133 PolarHBondContact N-O 2.76Å; G92-K134 WeakPolarHBondContact CA-O 3.5Å |
| 93 | D | 91.2 | Very high | 95.2 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 47% | 0.471 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.9 | -178.1 | 66.8 | -16.7 | 0 | 0 | 0 | 113.8 | W91 F95 D96 Q97 | W91-D93 PolarHBondContact O-N 2.75Å; D93-F95 PolarHBondContact O-N 2.93Å; D93-D96 PolarHBondContact O-N 2.7Å; D93-Q97 WeakPolarHBondContact O-CG 3.37Å; D93-Q97 PolarHBondContact O-N 2.97Å; D93-Q97 PolarHBondContact OD1-NE2 2.94Å; D93-Q97 PolarHBondContact OD2-NE2 3.33Å |
| 94 | E | 93.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -34.8 | 177.3 | -60.3 | -179.5 | 92.1 | 0 | 0 | 111.4 | F90 W91 G92 Q97 V98 S312 I313 | F90-E94 HydrophobicContact CB-CB 4.04Å; F90-E94 HydrophobicContact CD1-CB 4.5Å; F90-E94 HydrophobicContact CG-CB 4.27Å; W91-E94 WeakPolarHBondContact CA-OE2 3.27Å; W91-E94 PolarHBondContact N-OE2 3.03Å; W91-E94 VanDerWaalsContact O-CB 3.23Å; W91-E94 WeakPolarHBondContact O-CB 3.44Å; W91-E94 WeakPolarHBondContact O-CG 3.35Å; W91-E94 PolarHBondContact O-N 3.38Å; W91-E94 VanDerWaalsContact O-N 3.08Å; G92-E94 VanDerWaalsContact C-N 3.33Å; E94-Q97 PolarHBondContact O-N 3.39Å; E94-V98 WeakPolarHBondContact O-CG2 3.46Å; E94-V98 PolarHBondContact O-N 3.29Å; E94-S312 VanDerWaalsContact OE1-CA 3.24Å; E94-S312 WeakPolarHBondContact OE1-CA 3.39Å; E94-S312 WeakPolarHBondContact OE1-CB 3.06Å; E94-S312 PolarHBondContact OE1-N 2.96Å; E94-I313 HydrophobicContact CB-CD1 4.06Å; E94-I313 HydrophobicContact CG-CB 4.2Å; E94-I313 HydrophobicContact CG-CD1 4.28Å; E94-I313 HydrophobicContact CG-CG1 4.36Å; E94-I313 PolarHBondContact OE1-N 3.44Å |
| 95 | F | 92.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 173.4 | -71.8 | -71 | 0 | 0 | 0 | 112.1 | L87 F90 D93 V98 E99 V130 R133 K134 | L87-F95 WeakPolarHBondContact O-CE1 3.39Å; L87-F95 WeakPolarHBondContact O-CZ 3.33Å; F90-F95 HydrophobicContact CB-CD1 3.88Å; F90-F95 HydrophobicContact CB-CD2 3.99Å; F90-F95 HydrophobicContact CB-CE1 3.5Å; F90-F95 VanDerWaalsContact CB-CE1 3.5Å; F90-F95 HydrophobicContact CB-CE2 3.64Å; F90-F95 HydrophobicContact CB-CG 4.11Å; F90-F95 HydrophobicContact CB-CZ 3.39Å; F90-F95 AromaticContact CD2-CD1 3.65Å; F90-F95 HydrophobicContact CD2-CD1 3.65Å; F90-F95 AromaticContact CD2-CE1 3.67Å; F90-F95 HydrophobicContact CD2-CE1 3.67Å; F90-F95 HydrophobicContact CD2-CG 4.38Å; F90-F95 HydrophobicContact CD2-CZ 4.46Å; F90-F95 HydrophobicContact CG-CD1 4.28Å; F90-F95 HydrophobicContact CG-CE1 4.07Å; F90-F95 HydrophobicContact CG-CZ 4.42Å; F90-F95 VanDerWaalsContact O-CE2 3.3Å; F90-F95 WeakPolarHBondContact O-CE2 3.34Å; F90-F95 WeakPolarHBondContact O-CZ 3.4Å; D93-F95 PolarHBondContact O-N 2.93Å; F95-V98 PolarHBondContact O-N 3.24Å; F95-E99 VanDerWaalsContact O-CB 3.22Å; F95-E99 WeakPolarHBondContact O-CB 3.45Å; F95-E99 PolarHBondContact O-N 2.82Å; F95-V130 HydrophobicContact CD1-CB 4.3Å; F95-V130 HydrophobicContact CD1-CG1 3.41Å; F95-V130 VanDerWaalsContact CD1-CG1 3.41Å; F95-V130 HydrophobicContact CD1-CG2 4.01Å; F95-V130 HydrophobicContact CD2-CG1 3.98Å; F95-V130 HydrophobicContact CE1-CB 3.76Å; F95-V130 HydrophobicContact CE1-CG1 3.34Å; F95-V130 HydrophobicContact CE1-CG2 3.23Å; F95-V130 HydrophobicContact CE2-CG1 3.89Å; F95-V130 HydrophobicContact CG-CG1 3.74Å; F95-V130 HydrophobicContact CZ-CB 3.88Å; F95-V130 HydrophobicContact CZ-CG1 3.57Å; F95-V130 HydrophobicContact CZ-CG2 3.65Å; F95-R133 HydrophobicContact CE2-CB 3.9Å; F95-R133 HydrophobicContact CZ-CB 4.31Å; F95-K134 HydrophobicContact CD2-CG 4.38Å |
| 96 | D | 93 | Very high | 95.1 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 49% | 0.492 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.3 | -37.1 | -178.1 | -64.7 | -24.2 | 0 | 0 | 0 | 110.7 | D93 N100 | D93-D96 PolarHBondContact O-N 2.7Å; D96-N100 VanDerWaalsContact O-CB 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.4Å; D96-N100 PolarHBondContact O-N 3.48Å |
| 97 | Q | 95.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -50.8 | 174.4 | -68.4 | 179.9 | 62.2 | 0 | 0 | 111.3 | D93 E94 N100 A101 I313 | D93-Q97 WeakPolarHBondContact O-CG 3.37Å; D93-Q97 PolarHBondContact O-N 2.97Å; D93-Q97 PolarHBondContact OD1-NE2 2.94Å; D93-Q97 PolarHBondContact OD2-NE2 3.33Å; E94-Q97 PolarHBondContact O-N 3.39Å; Q97-N100 PolarHBondContact O-N 2.68Å; Q97-A101 WeakPolarHBondContact O-CB 3.24Å; Q97-A101 PolarHBondContact O-N 3.37Å; Q97-I313 HydrophobicContact CB-CD1 4Å |
| 98 | V | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L67 A68 L71 F90 E94 F95 N100 A101 Y102 I313 | L67-V98 HydrophobicContact CB-CG1 4.45Å; L67-V98 HydrophobicContact CB-CG2 3.97Å; L67-V98 HydrophobicContact CD1-CG2 4.14Å; A68-V98 HydrophobicContact CB-CG1 4.13Å; L71-V98 HydrophobicContact CD2-CG1 4.33Å; F90-V98 HydrophobicContact CE1-CG2 4.42Å; F90-V98 HydrophobicContact CE2-CB 3.96Å; F90-V98 HydrophobicContact CE2-CG1 3.92Å; F90-V98 HydrophobicContact CE2-CG2 3.82Å; F90-V98 HydrophobicContact CZ-CB 4.31Å; F90-V98 HydrophobicContact CZ-CG1 4.17Å; F90-V98 HydrophobicContact CZ-CG2 3.73Å; E94-V98 WeakPolarHBondContact O-CG2 3.46Å; E94-V98 PolarHBondContact O-N 3.29Å; F95-V98 PolarHBondContact O-N 3.24Å; V98-N100 VanDerWaalsContact C-N 3.29Å; V98-N100 PolarHBondContact O-N 2.68Å; V98-A101 PolarHBondContact O-N 3.23Å; V98-Y102 WeakPolarHBondContact O-CB 3.26Å; V98-Y102 PolarHBondContact O-N 2.92Å; V98-I313 HydrophobicContact CG2-CD1 3.97Å |
| 99 | E | 94.9 | Very high | 95 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.9 | -171.1 | 162.1 | -161.4 | 0 | 0 | 111.5 | F95 F110 | F95-E99 VanDerWaalsContact O-CB 3.22Å; F95-E99 WeakPolarHBondContact O-CB 3.45Å; F95-E99 PolarHBondContact O-N 2.82Å; E99-F110 HydrophobicContact CB-CD1 4.38Å; E99-F110 HydrophobicContact CB-CE1 3.65Å; E99-F110 HydrophobicContact CG-CD1 4.19Å; E99-F110 HydrophobicContact CG-CE1 3.73Å |
| 100 | N | 96.2 | Very high | 95 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 176.4 | -169.3 | 54.7 | 0 | 0 | 0 | 112.1 | D96 Q97 V98 Y102 K103 | D96-N100 VanDerWaalsContact O-CB 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.4Å; D96-N100 PolarHBondContact O-N 3.48Å; Q97-N100 PolarHBondContact O-N 2.68Å; V98-N100 VanDerWaalsContact C-N 3.29Å; V98-N100 PolarHBondContact O-N 2.68Å; N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.35Å; N100-K103 WeakPolarHBondContact O-CB 3.36Å; N100-K103 WeakPolarHBondContact O-CG 3.31Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 PolarHBondContact OD1-NZ 2.71Å |
| 101 | A | 97.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I65 A68 Q97 V98 K103 I104 | I65-A101 HydrophobicContact CG1-CB 4.15Å; A68-A101 HydrophobicContact CB-CB 3.72Å; Q97-A101 WeakPolarHBondContact O-CB 3.24Å; Q97-A101 PolarHBondContact O-N 3.37Å; V98-A101 PolarHBondContact O-N 3.23Å; A101-K103 PolarHBondContact O-N 3.22Å; A101-K103 VanDerWaalsContact O-N 3.07Å; A101-I104 VanDerWaalsContact O-CB 3.31Å; A101-I104 WeakPolarHBondContact O-CB 3.46Å; A101-I104 VanDerWaalsContact O-CG1 3.28Å; A101-I104 WeakPolarHBondContact O-CG1 3.11Å; A101-I104 PolarHBondContact O-N 3.31Å |
| 102 | Y | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.8 | -25.3 | 177.9 | -167.9 | -93.7 | 0 | 0 | 0 | 113.5 | L71 Y72 I75 V98 N100 I104 Y105 S106 F110 S113 | L71-Y102 HydrophobicContact CD2-CD2 4.3Å; L71-Y102 HydrophobicContact CD2-CE2 4.45Å; L71-Y102 HydrophobicContact CG-CD2 4.48Å; L71-Y102 HydrophobicContact CG-CE2 4.25Å; Y72-Y102 HydrophobicContact CD2-CE2 4.18Å; Y72-Y102 AromaticContact CD2-CZ 3.88Å; Y72-Y102 HydrophobicContact CG-CE2 4.43Å; I75-Y102 HydrophobicContact CD1-CE2 4.29Å; V98-Y102 WeakPolarHBondContact O-CB 3.26Å; V98-Y102 PolarHBondContact O-N 2.92Å; N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.35Å; Y102-I104 PolarHBondContact O-N 3.33Å; Y102-I104 VanDerWaalsContact O-N 3.11Å; Y102-Y105 PolarHBondContact O-N 3.28Å; Y102-S106 VanDerWaalsContact CE1-CB 3.44Å; Y102-S106 PolarHBondContact O-N 3.11Å; Y102-F110 HydrophobicContact CD1-CB 3.76Å; Y102-F110 HydrophobicContact CD1-CD1 4.5Å; Y102-F110 HydrophobicContact CD2-CB 3.86Å; Y102-F110 HydrophobicContact CD2-CD1 4.46Å; Y102-F110 VanDerWaalsContact CE1-CA 3.46Å; Y102-F110 HydrophobicContact CE1-CB 3.49Å; Y102-F110 VanDerWaalsContact CE1-CB 3.49Å; Y102-F110 HydrophobicContact CE2-CB 3.59Å; Y102-F110 HydrophobicContact CG-CB 3.92Å; Y102-F110 HydrophobicContact CG-CD1 4.2Å; Y102-F110 VanDerWaalsContact CZ-CB 3.41Å; Y102-S113 PolarHBondContact OH-OG 2.74Å |
| 103 | K | 97.2 | Very high | 95.8 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | 176.3 | -60.6 | 172.7 | -171.3 | 162.6 | 0 | 113.6 | N100 A101 Y105 S106 | N100-K103 WeakPolarHBondContact O-CB 3.36Å; N100-K103 WeakPolarHBondContact O-CG 3.31Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 PolarHBondContact OD1-NZ 2.71Å; A101-K103 PolarHBondContact O-N 3.22Å; A101-K103 VanDerWaalsContact O-N 3.07Å; K103-Y105 VanDerWaalsContact C-N 3.29Å; K103-S106 WeakPolarHBondContact CA-O 3.43Å |
| 104 | I | 97.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 53 Ų | 53 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35.4 | 173 | -64.5 | 168.5 | 0 | 0 | 0 | 110.9 | I65 A101 Y102 | I65-I104 HydrophobicContact CD1-CD1 4.25Å; I65-I104 HydrophobicContact CG1-CD1 4.12Å; I65-I104 HydrophobicContact CG2-CD1 4.05Å; A101-I104 VanDerWaalsContact O-CB 3.31Å; A101-I104 WeakPolarHBondContact O-CB 3.46Å; A101-I104 VanDerWaalsContact O-CG1 3.28Å; A101-I104 WeakPolarHBondContact O-CG1 3.11Å; A101-I104 PolarHBondContact O-N 3.31Å; Y102-I104 PolarHBondContact O-N 3.33Å; Y102-I104 VanDerWaalsContact O-N 3.11Å |
| 105 | Y | 97.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 56 Ų | 56 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -22.4 | -171.3 | -54.5 | -74.8 | 0 | 0 | 0 | 113.4 | I65 A68 D69 Y72 Y102 K103 | I65-Y105 WeakPolarHBondContact CG2-OH 3.32Å; A68-Y105 HydrophobicContact CB-CD2 4.39Å; A68-Y105 HydrophobicContact CB-CE2 4.18Å; D69-Y105 HydrophobicContact CB-CE1 4.05Å; D69-Y105 HydrophobicContact CB-CE2 3.79Å; D69-Y105 WeakPolarHBondContact CB-OH 3.32Å; Y72-Y105 HydrophobicContact CD1-CG 4.48Å; Y72-Y105 WeakPolarHBondContact CE2-O 3.35Å; Y72-Y105 HydrophobicContact CG-CG 4.32Å; Y102-Y105 PolarHBondContact O-N 3.28Å; K103-Y105 VanDerWaalsContact C-N 3.29Å |
| 106 | S | 96.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | trans | -146.8 | 137.5 | -176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | Y102 K103 E108 | Y102-S106 VanDerWaalsContact CE1-CB 3.44Å; Y102-S106 PolarHBondContact O-N 3.11Å; K103-S106 WeakPolarHBondContact CA-O 3.43Å; S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 WeakPolarHBondContact CB-O 3.09Å; S106-E108 PolarHBondContact OG-N 3.32Å; S106-E108 PolarHBondContact OG-O 3Å | ||
| 107 | V | 95.6 | Very high | 96.8 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 96% | 0.958 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -71.1 | -30.6 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 108 | E | 95.1 | Very high | 97 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -83.8 | 145.5 | 176.9 | -57.3 | -166.9 | 151 | 0 | 0 | 110.7 | S106 K112 | S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 WeakPolarHBondContact CB-O 3.09Å; S106-E108 PolarHBondContact OG-N 3.32Å; S106-E108 PolarHBondContact OG-O 3Å; E108-K112 HydrophobicContact CB-CB 4.35Å; E108-K112 HydrophobicContact CB-CD 4.11Å; E108-K112 HydrophobicContact CG-CD 4.09Å; E108-K112 VanDerWaalsContact OE1-CE 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.39Å; E108-K112 IonicContact OE1-NZ 2.69Å; E108-K112 PolarHBondContact OE1-NZ 3.24Å; E108-K112 IonicContact OE2-NZ 3.03Å |
| 109 | S | 95.6 | Very high | 97 | Very high | 55 Ų | 55 | 60.3 Ų | 60.3 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -60.1 | 147.2 | 171.5 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | W111 K112 S113 | S109-W111 PolarHBondContact O-N 2.9Å; S109-W111 VanDerWaalsContact O-N 3.11Å; S109-K112 WeakPolarHBondContact O-CB 3.37Å; S109-K112 PolarHBondContact O-N 3.37Å; S109-K112 PolarHBondContact OG-N 3.35Å; S109-S113 PolarHBondContact O-N 3.29Å; S109-S113 VanDerWaalsContact O-N 3.14Å; S109-S113 PolarHBondContact O-OG 3.21Å | ||
| 110 | F | 96.1 | Very high | 97 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -26.7 | 177.8 | 67.8 | -107.3 | 0 | 0 | 0 | 111.8 | L71 I75 L87 E99 Y102 K112 S113 I114 | L71-F110 HydrophobicContact CD2-CB 4.16Å; L71-F110 HydrophobicContact CD2-CD1 4.05Å; L71-F110 HydrophobicContact CD2-CD2 4.16Å; L71-F110 HydrophobicContact CD2-CE1 4.47Å; L71-F110 HydrophobicContact CD2-CG 3.89Å; I75-F110 HydrophobicContact CD1-CB 4.02Å; L87-F110 HydrophobicContact CD2-CE2 3.96Å; L87-F110 HydrophobicContact CD2-CZ 4.28Å; E99-F110 HydrophobicContact CB-CD1 4.38Å; E99-F110 HydrophobicContact CB-CE1 3.65Å; E99-F110 HydrophobicContact CG-CD1 4.19Å; E99-F110 HydrophobicContact CG-CE1 3.73Å; Y102-F110 HydrophobicContact CD1-CB 3.76Å; Y102-F110 HydrophobicContact CD1-CD1 4.5Å; Y102-F110 HydrophobicContact CD2-CB 3.86Å; Y102-F110 HydrophobicContact CD2-CD1 4.46Å; Y102-F110 VanDerWaalsContact CE1-CA 3.46Å; Y102-F110 HydrophobicContact CE1-CB 3.49Å; Y102-F110 VanDerWaalsContact CE1-CB 3.49Å; Y102-F110 HydrophobicContact CE2-CB 3.59Å; Y102-F110 HydrophobicContact CG-CB 3.92Å; Y102-F110 HydrophobicContact CG-CD1 4.2Å; Y102-F110 VanDerWaalsContact CZ-CB 3.41Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.69Å; F110-S113 CarbonylContact O-C 3.59Å; F110-S113 WeakPolarHBondContact O-CB 3.45Å; F110-S113 PolarHBondContact O-N 3.46Å; F110-I114 HydrophobicContact CD2-CD1 3.76Å; F110-I114 HydrophobicContact CE2-CD1 4.33Å; F110-I114 WeakPolarHBondContact O-CB 3.31Å; F110-I114 VanDerWaalsContact O-CG1 3.22Å; F110-I114 WeakPolarHBondContact O-CG1 3.24Å; F110-I114 PolarHBondContact O-N 2.75Å |
| 111 | W | 97.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 172.6 | -64.7 | 117 | 0 | 0 | 0 | 112.9 | S109 I114 E115 K123 L126 H127 V130 | S109-W111 PolarHBondContact O-N 2.9Å; S109-W111 VanDerWaalsContact O-N 3.11Å; W111-I114 HydrophobicContact CE3-CD1 4.08Å; W111-I114 HydrophobicContact CZ3-CD1 4.25Å; W111-E115 PolarHBondContact O-N 2.69Å; W111-K123 HydrophobicContact CE3-CG 4.17Å; W111-L126 HydrophobicContact CZ3-CB 4.2Å; W111-H127 AromaticContact CD2-CD2 3.96Å; W111-H127 AromaticContact CE2-CD2 3.76Å; W111-H127 HydrophobicContact CE3-CB 4.22Å; W111-H127 HydrophobicContact CH2-CB 3.93Å; W111-H127 HydrophobicContact CZ2-CB 4.49Å; W111-H127 AromaticContact CZ2-CD2 3.87Å; W111-H127 HydrophobicContact CZ3-CB 3.77Å; W111-V130 HydrophobicContact CH2-CB 4.09Å; W111-V130 HydrophobicContact CH2-CG1 4.41Å; W111-V130 HydrophobicContact CH2-CG2 3.78Å; W111-V130 HydrophobicContact CZ2-CB 4.37Å; W111-V130 HydrophobicContact CZ2-CG1 4.2Å; W111-V130 HydrophobicContact CZ2-CG2 4.33Å |
| 112 | K | 97.7 | Very high | 96.9 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 174.9 | -170.5 | 176.3 | 177.6 | -164.8 | 0 | 110.6 | E108 S109 F110 E115 K116 | E108-K112 HydrophobicContact CB-CB 4.35Å; E108-K112 HydrophobicContact CB-CD 4.11Å; E108-K112 HydrophobicContact CG-CD 4.09Å; E108-K112 VanDerWaalsContact OE1-CE 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.39Å; E108-K112 IonicContact OE1-NZ 2.69Å; E108-K112 PolarHBondContact OE1-NZ 3.24Å; E108-K112 IonicContact OE2-NZ 3.03Å; S109-K112 WeakPolarHBondContact O-CB 3.37Å; S109-K112 PolarHBondContact O-N 3.37Å; S109-K112 PolarHBondContact OG-N 3.35Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.69Å; K112-E115 PolarHBondContact O-N 3.21Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.01Å |
| 113 | S | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 173.1 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | Y102 S109 F110 E115 K116 H117 | Y102-S113 PolarHBondContact OH-OG 2.74Å; S109-S113 PolarHBondContact O-N 3.29Å; S109-S113 VanDerWaalsContact O-N 3.14Å; S109-S113 PolarHBondContact O-OG 3.21Å; F110-S113 CarbonylContact O-C 3.59Å; F110-S113 WeakPolarHBondContact O-CB 3.45Å; F110-S113 PolarHBondContact O-N 3.46Å; S113-E115 PolarHBondContact O-N 2.63Å; S113-K116 PolarHBondContact O-N 3.28Å; S113-H117 PolarHBondContact O-CD2 2.69Å; S113-H117 VanDerWaalsContact O-CD2 3.26Å; S113-H117 PolarHBondContact O-N 2.94Å |
| 114 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.2 | -71.5 | 169.2 | 0 | 0 | 0 | 110.8 | I75 T83 L87 F110 W111 K116 H117 F118 V122 K123 L126 | I75-I114 HydrophobicContact CD1-CD1 4.32Å; I75-I114 HydrophobicContact CD1-CG1 3.75Å; I75-I114 HydrophobicContact CG1-CG1 4.03Å; T83-I114 HydrophobicContact CG2-CD1 4.18Å; T83-I114 HydrophobicContact CG2-CG1 4.19Å; L87-I114 HydrophobicContact CD1-CD1 3.7Å; F110-I114 HydrophobicContact CD2-CD1 3.76Å; F110-I114 HydrophobicContact CE2-CD1 4.33Å; F110-I114 WeakPolarHBondContact O-CB 3.31Å; F110-I114 VanDerWaalsContact O-CG1 3.22Å; F110-I114 WeakPolarHBondContact O-CG1 3.24Å; F110-I114 PolarHBondContact O-N 2.75Å; W111-I114 HydrophobicContact CE3-CD1 4.08Å; W111-I114 HydrophobicContact CZ3-CD1 4.25Å; I114-K116 VanDerWaalsContact C-N 3.32Å; I114-K116 PolarHBondContact O-N 3.03Å; I114-H117 PolarHBondContact O-N 3.03Å; I114-F118 HydrophobicContact CB-CD2 4.4Å; I114-F118 HydrophobicContact CG2-CD2 4.07Å; I114-F118 WeakPolarHBondContact O-CA 3.36Å; I114-F118 WeakPolarHBondContact O-CB 3.39Å; I114-F118 PolarHBondContact O-N 3.21Å; I114-V122 HydrophobicContact CG2-CG1 4.27Å; I114-K123 HydrophobicContact CG2-CB 3.92Å; I114-L126 HydrophobicContact CG2-CD1 4.17Å |
| 115 | E | 98.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.2 | -178.6 | 163.3 | -171.1 | 0 | 0 | 112.3 | W111 K112 S113 G119 K120 K123 | W111-E115 PolarHBondContact O-N 2.69Å; K112-E115 PolarHBondContact O-N 3.21Å; S113-E115 PolarHBondContact O-N 2.63Å; E115-G119 WeakPolarHBondContact O-CA 3.11Å; E115-G119 PolarHBondContact O-N 3.01Å; E115-K120 HydrophobicContact CG-CB 4.39Å; E115-K123 HydrophobicContact CB-CB 4.17Å; E115-K123 HydrophobicContact CB-CD 3.72Å; E115-K123 HydrophobicContact CB-CG 4.44Å; E115-K123 HydrophobicContact CG-CD 4.29Å; E115-K123 WeakPolarHBondContact OE2-CD 3.41Å; E115-K123 IonicContact OE2-NZ 2.7Å; E115-K123 PolarHBondContact OE2-NZ 3.47Å |
| 116 | K | 97.8 | Very high | 96.7 | Very high | 159 Ų | 159 | 53.1 Ų | 53.1 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 176.9 | -179.2 | -178.7 | 175.5 | -173 | 0 | 112.6 | K112 S113 I114 | K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.01Å; S113-K116 PolarHBondContact O-N 3.28Å; I114-K116 VanDerWaalsContact C-N 3.32Å; I114-K116 PolarHBondContact O-N 3.03Å |
| 117 | H | 97.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -89.4 | -30.4 | -174.7 | -77.6 | -101.2 | 0 | 0 | 0 | 114.1 | I75 M76 S78 S113 I114 | I75-H117 HydrophobicContact CG2-CB 4.1Å; I75-H117 PolarHBondContact O-ND1 3.43Å; M76-H117 VanDerWaalsContact CE-NE2 3.34Å; M76-H117 WeakPolarHBondContact CE-NE2 3.23Å; S78-H117 PolarHBondContact OG-ND1 2.84Å; S113-H117 PolarHBondContact O-CD2 2.69Å; S113-H117 VanDerWaalsContact O-CD2 3.26Å; S113-H117 PolarHBondContact O-N 2.94Å; I114-H117 PolarHBondContact O-N 3.03Å |
| 118 | F | 97.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -124.7 | -4.1 | -173.7 | -50.4 | -66.8 | 0 | 0 | 0 | 114 | I75 S78 L80 T83 I114 V122 Q216 | I75-F118 HydrophobicContact CG1-CE2 4.36Å; I75-F118 HydrophobicContact CG2-CE2 4.2Å; S78-F118 WeakPolarHBondContact O-CE1 3.14Å; L80-F118 HydrophobicContact CB-CD1 3.96Å; L80-F118 HydrophobicContact CB-CE1 3.64Å; L80-F118 HydrophobicContact CB-CZ 4.17Å; L80-F118 HydrophobicContact CD1-CD1 4.12Å; L80-F118 HydrophobicContact CD1-CD2 4.27Å; L80-F118 HydrophobicContact CD1-CE1 4.34Å; L80-F118 HydrophobicContact CD1-CE2 4.47Å; L80-F118 HydrophobicContact CD1-CG 4.08Å; L80-F118 HydrophobicContact CG-CD1 4.47Å; T83-F118 HydrophobicContact CG2-CE2 4.22Å; I114-F118 HydrophobicContact CB-CD2 4.4Å; I114-F118 HydrophobicContact CG2-CD2 4.07Å; I114-F118 WeakPolarHBondContact O-CA 3.36Å; I114-F118 WeakPolarHBondContact O-CB 3.39Å; I114-F118 PolarHBondContact O-N 3.21Å; F118-V122 HydrophobicContact CB-CB 3.77Å; F118-V122 HydrophobicContact CB-CG1 3.54Å; F118-V122 HydrophobicContact CB-CG2 4.12Å; F118-V122 HydrophobicContact CG-CG1 4.26Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; F118-Q216 PolarHBondContact O-OE1 3.38Å |
| 119 | G | 96.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | 84.3 | 163.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E115 S121 V122 K123 | E115-G119 WeakPolarHBondContact O-CA 3.11Å; E115-G119 PolarHBondContact O-N 3.01Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 2.88Å; G119-V122 PolarHBondContact O-N 3.11Å; G119-K123 PolarHBondContact O-N 3.2Å |
| 120 | K | 95.8 | Very high | 96.8 | Very high | 147 Ų | 147 | 43.4 Ų | 43.4 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.9 | -36.3 | -174 | -175.5 | 175.7 | 179.5 | 178.3 | 0 | 114 | E115 S124 | E115-K120 HydrophobicContact CG-CB 4.39Å; K120-S124 WeakPolarHBondContact O-CB 3.47Å; K120-S124 PolarHBondContact O-N 3.43Å; K120-S124 PolarHBondContact O-OG 3.18Å |
| 121 | S | 93.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 47 Ų | 47 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.1 | -43.6 | -178.8 | -172 | 0 | 0 | 0 | 0 | 111.8 | G119 S124 T125 | G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 2.88Å; S121-S124 PolarHBondContact O-N 3.08Å; S121-T125 PolarHBondContact O-N 2.77Å; S121-T125 PolarHBondContact O-OG1 3.13Å |
| 122 | V | 96.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 176.4 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | L80 I114 F118 G119 S124 T125 L126 Q216 I220 | L80-V122 HydrophobicContact CD1-CG1 3.73Å; I114-V122 HydrophobicContact CG2-CG1 4.27Å; F118-V122 HydrophobicContact CB-CB 3.77Å; F118-V122 HydrophobicContact CB-CG1 3.54Å; F118-V122 HydrophobicContact CB-CG2 4.12Å; F118-V122 HydrophobicContact CG-CG1 4.26Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; G119-V122 PolarHBondContact O-N 3.11Å; V122-S124 VanDerWaalsContact C-N 3.3Å; V122-S124 PolarHBondContact O-N 3.5Å; V122-T125 PolarHBondContact O-N 2.74Å; V122-L126 HydrophobicContact CG1-CD1 3.77Å; V122-L126 HydrophobicContact CG1-CG 4.36Å; V122-L126 PolarHBondContact O-N 2.99Å; V122-Q216 HydrophobicContact CG2-CB 3.86Å; V122-I220 HydrophobicContact CB-CD1 4.31Å; V122-I220 HydrophobicContact CG1-CD1 3.77Å; V122-I220 HydrophobicContact CG2-CD1 4.11Å |
| 123 | K | 97.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 42 Ų | 42 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -51.7 | -50.5 | 174.3 | 175.1 | -163.8 | 150.6 | -170.8 | 0 | 111.2 | W111 I114 E115 G119 T125 L126 H127 | W111-K123 HydrophobicContact CE3-CG 4.17Å; I114-K123 HydrophobicContact CG2-CB 3.92Å; E115-K123 HydrophobicContact CB-CB 4.17Å; E115-K123 HydrophobicContact CB-CD 3.72Å; E115-K123 HydrophobicContact CB-CG 4.44Å; E115-K123 HydrophobicContact CG-CD 4.29Å; E115-K123 WeakPolarHBondContact OE2-CD 3.41Å; E115-K123 IonicContact OE2-NZ 2.7Å; E115-K123 PolarHBondContact OE2-NZ 3.47Å; G119-K123 PolarHBondContact O-N 3.2Å; K123-T125 VanDerWaalsContact C-N 3.3Å; K123-T125 PolarHBondContact O-N 3.01Å; K123-L126 PolarHBondContact O-N 3.49Å; K123-H127 VanDerWaalsContact O-CB 3.24Å; K123-H127 WeakPolarHBondContact O-CB 3.31Å; K123-H127 PolarHBondContact O-N 3.29Å |
| 124 | S | 96.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -38.4 | -176 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | K120 S121 V122 C128 | K120-S124 WeakPolarHBondContact O-CB 3.47Å; K120-S124 PolarHBondContact O-N 3.43Å; K120-S124 PolarHBondContact O-OG 3.18Å; S121-S124 PolarHBondContact O-N 3.08Å; V122-S124 VanDerWaalsContact C-N 3.3Å; V122-S124 PolarHBondContact O-N 3.5Å; S124-C128 WeakPolarHBondContact O-CB 3.05Å; S124-C128 PolarHBondContact O-N 3.18Å |
| 125 | T | 96.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -48.7 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | S121 V122 K123 H127 C128 I129 C183 L217 I220 | S121-T125 PolarHBondContact O-N 2.77Å; S121-T125 PolarHBondContact O-OG1 3.13Å; V122-T125 PolarHBondContact O-N 2.74Å; K123-T125 VanDerWaalsContact C-N 3.3Å; K123-T125 PolarHBondContact O-N 3.01Å; T125-H127 PolarHBondContact O-N 3.32Å; T125-C128 WeakPolarHBondContact O-CB 3.38Å; T125-C128 PolarHBondContact O-N 3.4Å; T125-I129 HydrophobicContact CG2-CD1 4.29Å; T125-I129 WeakPolarHBondContact O-CG1 3.2Å; T125-I129 PolarHBondContact O-N 3.42Å; T125-C183 HydrophobicContact CG2-CB 4.39Å; T125-L217 HydrophobicContact CG2-CD1 3.76Å; T125-I220 HydrophobicContact CG2-CG2 4.13Å |
| 126 | L | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 178.1 | -71.9 | 173 | 0 | 0 | 0 | 111.3 | L80 T84 L87 W111 I114 V122 K123 C128 I129 V130 I220 | L80-L126 HydrophobicContact CD1-CD1 4.4Å; T84-L126 HydrophobicContact CG2-CD2 4.08Å; L87-L126 HydrophobicContact CD1-CB 4.47Å; L87-L126 HydrophobicContact CD1-CD1 4.16Å; W111-L126 HydrophobicContact CZ3-CB 4.2Å; I114-L126 HydrophobicContact CG2-CD1 4.17Å; V122-L126 HydrophobicContact CG1-CD1 3.77Å; V122-L126 HydrophobicContact CG1-CG 4.36Å; V122-L126 PolarHBondContact O-N 2.99Å; K123-L126 PolarHBondContact O-N 3.49Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.45Å; L126-I129 PolarHBondContact O-N 2.96Å; L126-I129 VanDerWaalsContact O-N 3.17Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.3Å; L126-I220 HydrophobicContact CD2-CD1 4.33Å; L126-I220 HydrophobicContact CD2-CG1 4.32Å; L126-I220 HydrophobicContact CD2-CG2 3.97Å; L126-I220 HydrophobicContact CG-CD1 4.2Å |
| 127 | H | 96.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 175.2 | -170.8 | -66.7 | 0 | 0 | 0 | 111.4 | W111 K123 T125 I129 V130 E131 | W111-H127 AromaticContact CD2-CD2 3.96Å; W111-H127 AromaticContact CE2-CD2 3.76Å; W111-H127 HydrophobicContact CE3-CB 4.22Å; W111-H127 HydrophobicContact CH2-CB 3.93Å; W111-H127 HydrophobicContact CZ2-CB 4.49Å; W111-H127 AromaticContact CZ2-CD2 3.87Å; W111-H127 HydrophobicContact CZ3-CB 3.77Å; K123-H127 VanDerWaalsContact O-CB 3.24Å; K123-H127 WeakPolarHBondContact O-CB 3.31Å; K123-H127 PolarHBondContact O-N 3.29Å; T125-H127 PolarHBondContact O-N 3.32Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 2.76Å; H127-V130 PolarHBondContact O-N 3.26Å; H127-E131 IonicContact CE1-OE1 3.05Å; H127-E131 PolarHBondContact CE1-OE1 3.46Å; H127-E131 IonicContact ND1-OE1 2.64Å; H127-E131 IonicContact NE2-OE1 2.64Å; H127-E131 WeakPolarHBondContact O-CG 3.36Å; H127-E131 PolarHBondContact O-N 2.96Å |
| 128 | C | 97.2 | Very high | 94 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 174.8 | 178.1 | 0 | 0 | 0 | 0 | 112 | S124 T125 L126 E131 T132 C183 | S124-C128 WeakPolarHBondContact O-CB 3.05Å; S124-C128 PolarHBondContact O-N 3.18Å; T125-C128 WeakPolarHBondContact O-CB 3.38Å; T125-C128 PolarHBondContact O-N 3.4Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.45Å; C128-E131 PolarHBondContact O-N 2.9Å; C128-T132 PolarHBondContact O-N 3Å; C128-C183 CarbonylContact C-O 3.53Å; C128-C183 HydrophobicContact CB-CB 3.58Å; C128-C183 WeakPolarHBondContact CB-SG 3.46Å; C128-C183 WeakPolarHBondContact SG-CB 3.43Å; C128-C183 PolarHBondContact SG-O 3.38Å; C128-C183 VanDerWaalsContact SG-O 3.34Å; C128-C183 CovalentContact SG-SG 2.04Å; C128-C183 PolarHBondContact SG-SG 2.92Å |
| 129 | I | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.8 | -64.3 | 165.4 | 0 | 0 | 0 | 110.8 | I88 T125 L126 H127 E131 T132 C183 I220 M224 | I88-I129 HydrophobicContact CG2-CG2 4.08Å; T125-I129 HydrophobicContact CG2-CD1 4.29Å; T125-I129 WeakPolarHBondContact O-CG1 3.2Å; T125-I129 PolarHBondContact O-N 3.42Å; L126-I129 PolarHBondContact O-N 2.96Å; L126-I129 VanDerWaalsContact O-N 3.17Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 2.76Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.14Å; I129-T132 PolarHBondContact O-N 3.42Å; I129-T132 PolarHBondContact O-OG1 3.35Å; I129-C183 HydrophobicContact CG1-CB 3.84Å; I129-I220 HydrophobicContact CD1-CG2 3.66Å; I129-M224 HydrophobicContact CD1-SD 3.86Å; I129-M224 HydrophobicContact CG1-CE 4.46Å; I129-M224 HydrophobicContact CG1-SD 3.93Å |
| 130 | V | 95.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 179 | 163.9 | 0 | 0 | 0 | 0 | 111.9 | L87 F95 W111 L126 H127 T132 R133 K134 | L87-V130 HydrophobicContact CB-CG2 4.36Å; F95-V130 HydrophobicContact CD1-CB 4.3Å; F95-V130 HydrophobicContact CD1-CG1 3.41Å; F95-V130 VanDerWaalsContact CD1-CG1 3.41Å; F95-V130 HydrophobicContact CD1-CG2 4.01Å; F95-V130 HydrophobicContact CD2-CG1 3.98Å; F95-V130 HydrophobicContact CE1-CB 3.76Å; F95-V130 HydrophobicContact CE1-CG1 3.34Å; F95-V130 HydrophobicContact CE1-CG2 3.23Å; F95-V130 HydrophobicContact CE2-CG1 3.89Å; F95-V130 HydrophobicContact CG-CG1 3.74Å; F95-V130 HydrophobicContact CZ-CB 3.88Å; F95-V130 HydrophobicContact CZ-CG1 3.57Å; F95-V130 HydrophobicContact CZ-CG2 3.65Å; W111-V130 HydrophobicContact CH2-CB 4.09Å; W111-V130 HydrophobicContact CH2-CG1 4.41Å; W111-V130 HydrophobicContact CH2-CG2 3.78Å; W111-V130 HydrophobicContact CZ2-CB 4.37Å; W111-V130 HydrophobicContact CZ2-CG1 4.2Å; W111-V130 HydrophobicContact CZ2-CG2 4.33Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.3Å; H127-V130 PolarHBondContact O-N 3.26Å; V130-T132 PolarHBondContact O-N 2.98Å; V130-R133 PolarHBondContact O-N 3.24Å; V130-K134 PolarHBondContact O-N 2.98Å |
| 131 | E | 94.6 | Very high | 91.9 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.7 | -32.8 | 178.8 | -70.4 | -58.3 | 133.6 | 0 | 0 | 112.9 | H127 C128 I129 R133 K134 | H127-E131 IonicContact CE1-OE1 3.05Å; H127-E131 PolarHBondContact CE1-OE1 3.46Å; H127-E131 IonicContact ND1-OE1 2.64Å; H127-E131 IonicContact NE2-OE1 2.64Å; H127-E131 WeakPolarHBondContact O-CG 3.36Å; H127-E131 PolarHBondContact O-N 2.96Å; C128-E131 PolarHBondContact O-N 2.9Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.14Å; E131-R133 PolarHBondContact O-N 2.93Å; E131-K134 VanDerWaalsContact OE1-CE 3.32Å; E131-K134 WeakPolarHBondContact OE1-CE 3.5Å; E131-K134 IonicContact OE1-NZ 2.78Å; E131-K134 PolarHBondContact OE1-NZ 3.28Å; E131-K134 IonicContact OE2-NZ 3.75Å |
| 132 | T | 94.2 | Very high | 91.1 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.9 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | C128 I129 V130 C183 K184 | C128-T132 PolarHBondContact O-N 3Å; I129-T132 PolarHBondContact O-N 3.42Å; I129-T132 PolarHBondContact O-OG1 3.35Å; V130-T132 PolarHBondContact O-N 2.98Å; T132-C183 VanDerWaalsContact CG2-O 3.23Å; T132-C183 WeakPolarHBondContact CG2-O 3.23Å; T132-K184 VanDerWaalsContact CG2-C 3.44Å; T132-K184 WeakPolarHBondContact CG2-O 3.36Å |
| 133 | R | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -9.4 | -173.6 | -65.6 | 163.5 | 176.6 | -102.7 | 18.3 | 113.7 | I88 W91 G92 F95 V130 E131 N135 P187 | I88-R133 PolarHBondContact O-NH1 2.92Å; I88-R133 PolarHBondContact O-NH2 3.44Å; W91-R133 HydrophobicContact CD2-CB 4.3Å; W91-R133 HydrophobicContact CD2-CG 4.5Å; W91-R133 HydrophobicContact CE3-CB 3.91Å; W91-R133 HydrophobicContact CE3-CG 4.22Å; W91-R133 HydrophobicContact CH2-CG 4.29Å; W91-R133 HydrophobicContact CZ3-CB 4.18Å; W91-R133 HydrophobicContact CZ3-CG 4.09Å; G92-R133 PolarHBondContact N-O 2.76Å; F95-R133 HydrophobicContact CE2-CB 3.9Å; F95-R133 HydrophobicContact CZ-CB 4.31Å; V130-R133 PolarHBondContact O-N 3.24Å; E131-R133 PolarHBondContact O-N 2.93Å; R133-N135 PolarHBondContact O-N 3.38Å; R133-P187 VanDerWaalsContact NH1-CG 3.32Å |
| 134 | K | 91.2 | Very high | 88.9 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -60.6 | -27.1 | 172.5 | -76.1 | -175.4 | 170.7 | 173.6 | 0 | 113 | G92 F95 V130 E131 | G92-K134 WeakPolarHBondContact CA-O 3.5Å; F95-K134 HydrophobicContact CD2-CG 4.38Å; V130-K134 PolarHBondContact O-N 2.98Å; E131-K134 VanDerWaalsContact OE1-CE 3.32Å; E131-K134 WeakPolarHBondContact OE1-CE 3.5Å; E131-K134 IonicContact OE1-NZ 2.78Å; E131-K134 PolarHBondContact OE1-NZ 3.28Å; E131-K134 IonicContact OE2-NZ 3.75Å |
| 135 | N | 87.1 | Confident | 87.7 | Confident | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -115.3 | 112.7 | 175.3 | -62.1 | -69.9 | 0 | 0 | 0 | 109.6 | R133 | R133-N135 PolarHBondContact O-N 3.38Š|
| 136 | E | 87 | Confident | 86.4 | Confident | 63 Ų | 63 | 79 Ų | 79 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 129.4 | 175.6 | -70.2 | 175.2 | -177.6 | 0 | 0 | 110.4 | W91 K138 Y309 R311 | W91-E136 HydrophobicContact CB-CG 4.39Å; W91-E136 HydrophobicContact CE3-CG 4.07Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-Y309 HydrophobicContact CB-CE1 3.98Å; E136-Y309 HydrophobicContact CB-CE2 4.35Å; E136-Y309 HydrophobicContact CG-CD1 4.26Å; E136-Y309 HydrophobicContact CG-CD2 4.5Å; E136-Y309 HydrophobicContact CG-CE1 4.22Å; E136-Y309 HydrophobicContact CG-CE2 4.44Å; E136-Y309 HydrophobicContact CG-CG 4.41Å; E136-Y309 WeakPolarHBondContact OE2-CE2 3.46Å; E136-R311 IonicContact OE1-CZ 3.86Å; E136-R311 IonicContact OE1-NE 2.84Å; E136-R311 PolarHBondContact OE1-NE 3.41Å; E136-R311 IonicContact OE1-NH2 2.8Å; E136-R311 PolarHBondContact OE1-NH2 3.4Å; E136-R311 IonicContact OE2-CZ 3.68Å; E136-R311 IonicContact OE2-NH2 3.19Å; E136-R311 PolarHBondContact OE2-NH2 3.29Å |
| 137 | P | 87.8 | Confident | 85.1 | Confident | 19 Ų | 19 | 81.1 Ų | 81.1 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 137.6 | 175.3 | -23.5 | 32.4 | 0 | 0 | 0 | 110.4 | P150 F188 Y309 | P137-P150 HydrophobicContact CB-CB 4.2Å; P137-F188 HydrophobicContact CG-CD2 4.11Å; P137-F188 HydrophobicContact CG-CE2 4.47Å; P137-Y309 PolarHBondContact O-OH 3.11Å |
| 138 | K | 87 | Confident | 84.1 | Confident | 171 Ų | 171 | 79.8 Ų | 79.8 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -54 | 151.2 | 174.2 | -67.8 | -174.6 | -179.9 | -177 | 0 | 110.7 | E136 I151 | E136-K138 PolarHBondContact O-N 3.48Å; K138-I151 HydrophobicContact CB-CD1 3.81Å; K138-I151 WeakPolarHBondContact O-CB 3.4Å; K138-I151 WeakPolarHBondContact O-CG1 3.4Å; K138-I151 PolarHBondContact O-N 3.32Å |
| 139 | Q | 85.6 | Confident | 83.4 | Confident | 90 Ų | 90 | 83.4 Ų | 83.4 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -95.5 | 139.9 | -179.9 | -73.3 | -177.9 | -5 | 0 | 0 | 110.9 | V148 Y309 | Q139-V148 HydrophobicContact CB-CG1 3.4Å; Q139-V148 HydrophobicContact CG-CG1 3.62Å; Q139-Y309 WeakPolarHBondContact CG-OH 3.18Å; Q139-Y309 PolarHBondContact NE2-OH 3.3Å |
| 140 | D | 82.9 | Confident | 83 | Confident | 77 Ų | 77 | 84.2 Ų | 84.2 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.4 | 165 | -82.2 | -32.5 | 0 | 0 | 0 | 109.5 | K149 I151 | D140-K149 PolarHBondContact N-O 3.14Å; D140-I151 VanDerWaalsContact OD1-CG1 3.31Å; D140-I151 WeakPolarHBondContact OD1-CG1 3.31Å |
| 141 | D | 78 | Confident | 82.7 | Confident | 144 Ų | 144 | 88 Ų | 88 | 77% | 0.77 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 140.9 | 171.3 | -68.4 | -42.1 | 0 | 0 | 0 | 110.8 | I143 | D141-I143 PolarHBondContact O-N 2.93Š|
| 142 | P | 76.8 | Confident | 82.6 | Confident | 100 Ų | 100 | 86 Ų | 86 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 117.1 | -179.2 | 21 | -31.5 | 0 | 0 | 0 | 111 | V148 | P142-V148 HydrophobicContact CB-CG2 3.67Å; P142-V148 HydrophobicContact CG-CG2 4.48Å |
| 143 | I | 74.2 | Confident | 82.6 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 119.6 | 174.5 | -57.4 | 175.5 | 0 | 0 | 0 | 107.9 | D141 G145 R146 G147 | D141-I143 PolarHBondContact O-N 2.93Å; I143-G145 PolarHBondContact O-N 3.45Å; I143-G145 VanDerWaalsContact O-N 3.1Å; I143-R146 HydrophobicContact CB-CB 4.24Å; I143-R146 HydrophobicContact CG2-CB 4.3Å; I143-R146 PolarHBondContact O-N 3.02Å; I143-G147 PolarHBondContact N-O 2.77Å; I143-G147 PolarHBondContact O-N 3.23Å |
| 144 | K | 72.2 | Confident | 82.6 | Confident | 214 Ų | 214 | 95.1 Ų | 95.1 | 93% | 0.93 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 119.9 | 178.7 | -165.6 | 176.7 | -176.4 | 178 | 0 | 110.6 | ||
| 145 | G | 71.3 | Confident | 82.8 | Confident | 86 Ų | 86 | 95.9 Ų | 95.9 | 89% | 0.887 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | I143 | I143-G145 PolarHBondContact O-N 3.45Å; I143-G145 VanDerWaalsContact O-N 3.1Å |
| 146 | R | 68.5 | Low | 83.2 | Confident | 183 Ų | 183 | 90.6 Ų | 90.6 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -4.8 | 175.1 | -70 | -174.7 | 178.1 | 177.4 | 1.3 | 114.2 | I143 | I143-R146 HydrophobicContact CB-CB 4.24Å; I143-R146 HydrophobicContact CG2-CB 4.3Å; I143-R146 PolarHBondContact O-N 3.02Å |
| 147 | G | 70.4 | Confident | 83.6 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 45% | 0.454 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | 69.3 | -168.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I143 | I143-G147 PolarHBondContact N-O 2.77Å; I143-G147 PolarHBondContact O-N 3.23Å |
| 148 | V | 76.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 89.3 Ų | 89.3 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | trans | -88.4 | 149.1 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | Q139 P142 I308 | Q139-V148 HydrophobicContact CB-CG1 3.4Å; Q139-V148 HydrophobicContact CG-CG1 3.62Å; P142-V148 HydrophobicContact CB-CG2 3.67Å; P142-V148 HydrophobicContact CG-CG2 4.48Å; V148-I308 HydrophobicContact CB-CD1 3.38Å; V148-I308 HydrophobicContact CG1-CD1 3.56Å; V148-I308 WeakPolarHBondContact O-CD1 3.25Å | ||
| 149 | K | 82.5 | Confident | 84.4 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 47% | 0.474 | 47% | 0.47 | S | S | . | . | trans | -129.9 | 142.6 | 176.7 | -69.7 | -172.1 | 178.9 | -172.6 | 0 | 110.9 | D140 | D140-K149 PolarHBondContact N-O 3.14Š| ||
| 150 | P | 87.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 83 Ų | 83 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 137.3 | 172.7 | -23.7 | 36.3 | 0 | 0 | 0 | 112 | P137 V152 F188 I308 | P137-P150 HydrophobicContact CB-CB 4.2Å; P150-V152 PolarHBondContact O-N 3.18Å; P150-F188 HydrophobicContact CB-CB 4.44Å; P150-F188 HydrophobicContact CB-CD1 4.26Å; P150-F188 HydrophobicContact CB-CD2 3.75Å; P150-F188 HydrophobicContact CB-CE1 4.5Å; P150-F188 HydrophobicContact CB-CE2 3.99Å; P150-F188 HydrophobicContact CB-CG 3.88Å; P150-F188 HydrophobicContact CB-CZ 4.36Å; P150-F188 HydrophobicContact CG-CD1 3.76Å; P150-F188 HydrophobicContact CG-CD2 3.83Å; P150-F188 HydrophobicContact CG-CE1 3.61Å; P150-F188 HydrophobicContact CG-CE2 3.65Å; P150-F188 HydrophobicContact CG-CG 3.88Å; P150-F188 HydrophobicContact CG-CZ 3.54Å; P150-I308 HydrophobicContact CG-CG2 3.69Å |
| 151 | I | 90.2 | Very high | 85.4 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 41% | 0.41 | 44% | 0.437 | S | S | . | . | trans | -71.7 | 112.1 | 172.8 | -62.6 | 170.9 | 0 | 0 | 0 | 108.2 | K138 D140 | K138-I151 HydrophobicContact CB-CD1 3.81Å; K138-I151 WeakPolarHBondContact O-CB 3.4Å; K138-I151 WeakPolarHBondContact O-CG1 3.4Å; K138-I151 PolarHBondContact O-N 3.32Å; D140-I151 VanDerWaalsContact OD1-CG1 3.31Å; D140-I151 WeakPolarHBondContact OD1-CG1 3.31Å | ||
| 152 | V | 92.1 | Very high | 86.1 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | trans | -87.1 | 125.9 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | P150 K154 V157 F188 Q189 R192 | P150-V152 PolarHBondContact O-N 3.18Å; V152-K154 PolarHBondContact O-N 3.31Å; V152-V157 HydrophobicContact CG1-CG2 4.04Å; V152-F188 HydrophobicContact CG2-CB 3.92Å; V152-Q189 HydrophobicContact CG1-CB 4.43Å; V152-Q189 HydrophobicContact CG1-CG 3.88Å; V152-R192 HydrophobicContact CG1-CB 3.99Å; V152-R192 HydrophobicContact CG1-CG 4.19Å | ||
| 153 | N | 93.3 | Very high | 86.9 | Confident | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | trans | -69.1 | 93.8 | 169.9 | -175.4 | -15.3 | 0 | 0 | 0 | 110.4 | T155 A156 V157 | N153-T155 VanDerWaalsContact C-N 3.28Å; N153-T155 PolarHBondContact O-N 3.16Å; N153-T155 WeakPolarHBondContact OD1-CB 3.34Å; N153-T155 PolarHBondContact OD1-N 2.91Å; N153-T155 VanDerWaalsContact OD1-N 3.16Å; N153-A156 HydrophobicContact CB-CB 4.2Å; N153-A156 PolarHBondContact O-N 2.85Å; N153-A156 PolarHBondContact OD1-N 3.49Å; N153-A156 VanDerWaalsContact OD1-N 3.16Å; N153-V157 WeakPolarHBondContact O-CG2 3.25Å; N153-V157 PolarHBondContact O-N 2.98Å | ||
| 154 | K | 93.8 | Very high | 87.8 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.4 | -31.1 | -177.7 | -64.7 | 176.2 | -172.9 | 165.5 | 0 | 112.8 | V152 V157 S158 | V152-K154 PolarHBondContact O-N 3.31Å; K154-V157 PolarHBondContact O-N 2.53Å; K154-S158 WeakPolarHBondContact O-CB 3.43Å; K154-S158 PolarHBondContact O-N 2.84Å; K154-S158 PolarHBondContact O-OG 2.82Å |
| 155 | T | 95 | Very high | 88.7 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.2 | -49.9 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | N153 V157 S158 E159 | N153-T155 VanDerWaalsContact C-N 3.28Å; N153-T155 PolarHBondContact O-N 3.16Å; N153-T155 WeakPolarHBondContact OD1-CB 3.34Å; N153-T155 PolarHBondContact OD1-N 2.91Å; N153-T155 VanDerWaalsContact OD1-N 3.16Å; T155-V157 VanDerWaalsContact C-N 3.29Å; T155-V157 PolarHBondContact O-N 3.48Å; T155-S158 PolarHBondContact O-N 3.41Å; T155-S158 VanDerWaalsContact O-N 3.09Å; T155-E159 WeakPolarHBondContact O-CG 3.45Å; T155-E159 PolarHBondContact O-N 3.46Å |
| 156 | A | 94.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N153 E159 V160 | N153-A156 HydrophobicContact CB-CB 4.2Å; N153-A156 PolarHBondContact O-N 2.85Å; N153-A156 PolarHBondContact OD1-N 3.49Å; N153-A156 VanDerWaalsContact OD1-N 3.16Å; A156-E159 PolarHBondContact O-N 3.49Å; A156-V160 WeakPolarHBondContact O-CG2 3.15Å; A156-V160 PolarHBondContact O-N 2.87Å |
| 157 | V | 96.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | V152 N153 K154 T155 F161 Q189 R192 L193 I196 | V152-V157 HydrophobicContact CG1-CG2 4.04Å; N153-V157 WeakPolarHBondContact O-CG2 3.25Å; N153-V157 PolarHBondContact O-N 2.98Å; K154-V157 PolarHBondContact O-N 2.53Å; T155-V157 VanDerWaalsContact C-N 3.29Å; T155-V157 PolarHBondContact O-N 3.48Å; V157-F161 VanDerWaalsContact O-CB 3.3Å; V157-F161 WeakPolarHBondContact O-CB 3.42Å; V157-F161 PolarHBondContact O-N 3.43Å; V157-Q189 HydrophobicContact CG2-CB 3.64Å; V157-Q189 HydrophobicContact CG2-CG 3.94Å; V157-Q189 WeakPolarHBondContact CG2-O 3.22Å; V157-R192 HydrophobicContact CG1-CB 4.38Å; V157-R192 HydrophobicContact CG1-CG 4.04Å; V157-R192 HydrophobicContact CG2-CB 4.32Å; V157-R192 HydrophobicContact CG2-CG 4.35Å; V157-L193 HydrophobicContact CG1-CB 4.08Å; V157-L193 HydrophobicContact CG1-CD1 4.44Å; V157-I196 HydrophobicContact CG1-CD1 3.85Å |
| 158 | S | 95.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178.4 | -78.3 | 0 | 0 | 0 | 0 | 112.3 | K154 T155 F161 Y162 | K154-S158 WeakPolarHBondContact O-CB 3.43Å; K154-S158 PolarHBondContact O-N 2.84Å; K154-S158 PolarHBondContact O-OG 2.82Å; T155-S158 PolarHBondContact O-N 3.41Å; T155-S158 VanDerWaalsContact O-N 3.09Å; S158-F161 WeakPolarHBondContact O-CB 3.45Å; S158-F161 PolarHBondContact O-N 3.19Å; S158-Y162 WeakPolarHBondContact O-CD2 3.22Å; S158-Y162 PolarHBondContact O-N 3.37Å |
| 159 | E | 95.7 | Very high | 92.4 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.7 | -51.4 | 175.7 | -72 | 171 | 177.9 | 0 | 0 | 111.1 | T155 A156 F161 Y162 D163 | T155-E159 WeakPolarHBondContact O-CG 3.45Å; T155-E159 PolarHBondContact O-N 3.46Å; A156-E159 PolarHBondContact O-N 3.49Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.87Å; E159-Y162 PolarHBondContact O-N 2.77Å; E159-D163 PolarHBondContact O-N 3.2Å |
| 160 | V | 95.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | A156 D163 I164 R181 L185 L193 | A156-V160 WeakPolarHBondContact O-CG2 3.15Å; A156-V160 PolarHBondContact O-N 2.87Å; V160-D163 PolarHBondContact O-N 3.09Å; V160-I164 HydrophobicContact CG1-CD1 3.56Å; V160-I164 HydrophobicContact CG1-CG1 4.17Å; V160-I164 WeakPolarHBondContact O-CB 3.09Å; V160-I164 WeakPolarHBondContact O-CD1 3.22Å; V160-I164 WeakPolarHBondContact O-CG1 3.47Å; V160-I164 PolarHBondContact O-N 3.37Å; V160-R181 HydrophobicContact CG1-CB 4.31Å; V160-L185 HydrophobicContact CB-CD1 4.26Å; V160-L185 HydrophobicContact CB-CD2 4.08Å; V160-L185 HydrophobicContact CB-CG 4.37Å; V160-L185 HydrophobicContact CG1-CD1 3.77Å; V160-L185 HydrophobicContact CG1-CD2 4.37Å; V160-L185 HydrophobicContact CG1-CG 4.11Å; V160-L185 HydrophobicContact CG2-CD2 3.76Å; V160-L185 HydrophobicContact CG2-CG 4.23Å; V160-L193 HydrophobicContact CG1-CD2 4.48Å |
| 161 | F | 94.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.3 | 174.8 | -100.2 | 0 | 0 | 0 | 112.2 | V157 S158 E159 I164 M165 L193 I196 Y197 | V157-F161 VanDerWaalsContact O-CB 3.3Å; V157-F161 WeakPolarHBondContact O-CB 3.42Å; V157-F161 PolarHBondContact O-N 3.43Å; S158-F161 WeakPolarHBondContact O-CB 3.45Å; S158-F161 PolarHBondContact O-N 3.19Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.87Å; F161-I164 PolarHBondContact O-N 3.46Å; F161-M165 HydrophobicContact CD1-SD 4.3Å; F161-M165 HydrophobicContact CE1-CG 4.39Å; F161-M165 HydrophobicContact CE1-SD 3.5Å; F161-M165 WeakPolarHBondContact CE1-SD 3.5Å; F161-M165 HydrophobicContact CE2-SD 4.44Å; F161-M165 HydrophobicContact CZ-CG 4.27Å; F161-M165 HydrophobicContact CZ-SD 3.58Å; F161-M165 VanDerWaalsContact CZ-SD 3.58Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.03Å; F161-M165 VanDerWaalsContact O-N 3.14Å; F161-L193 HydrophobicContact CB-CD1 3.68Å; F161-L193 HydrophobicContact CD2-CD1 3.83Å; F161-L193 HydrophobicContact CG-CD1 4.25Å; F161-I196 HydrophobicContact CD2-CG2 3.82Å; F161-I196 HydrophobicContact CE1-CG2 4.38Å; F161-I196 HydrophobicContact CE2-CG2 3.58Å; F161-I196 HydrophobicContact CG-CG2 4.33Å; F161-I196 HydrophobicContact CZ-CG2 3.89Å; F161-Y197 HydrophobicContact CD2-CD2 4.14Å; F161-Y197 AromaticContact CD2-CE2 3.62Å; F161-Y197 HydrophobicContact CD2-CE2 3.62Å; F161-Y197 HydrophobicContact CE2-CD2 4.08Å; F161-Y197 AromaticContact CE2-CE2 3.7Å; F161-Y197 HydrophobicContact CE2-CE2 3.7Å; F161-Y197 AromaticContact CE2-CZ 3.99Å |
| 162 | Y | 93.7 | Very high | 92.2 | Very high | 155 Ų | 155 | 72.2 Ų | 72.2 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 177.9 | -73.7 | -64.9 | 0 | 0 | 0 | 112.1 | S158 E159 I164 M165 V166 | S158-Y162 WeakPolarHBondContact O-CD2 3.22Å; S158-Y162 PolarHBondContact O-N 3.37Å; E159-Y162 PolarHBondContact O-N 2.77Å; Y162-I164 VanDerWaalsContact C-N 3.31Å; Y162-I164 PolarHBondContact O-N 3Å; Y162-M165 WeakPolarHBondContact O-CB 3.26Å; Y162-M165 PolarHBondContact O-N 2.88Å; Y162-V166 PolarHBondContact O-N 3.42Å |
| 163 | D | 94 | Very high | 92 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.7 | -79.4 | -1.1 | 0 | 0 | 0 | 111.6 | E159 V160 M165 V166 V167 R181 | E159-D163 PolarHBondContact O-N 3.2Å; V160-D163 PolarHBondContact O-N 3.09Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.33Å; D163-V166 PolarHBondContact O-N 2.82Å; D163-V167 VanDerWaalsContact O-CG2 3.28Å; D163-V167 WeakPolarHBondContact O-CG2 3.31Å; D163-V167 PolarHBondContact O-N 2.78Å; D163-R181 HydrophobicContact CB-CG 3.93Å |
| 164 | I | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 178.2 | -70.9 | 164.6 | 0 | 0 | 0 | 110.8 | V160 F161 Y162 V166 V167 L168 L178 L182 L193 Y197 F205 | V160-I164 HydrophobicContact CG1-CD1 3.56Å; V160-I164 HydrophobicContact CG1-CG1 4.17Å; V160-I164 WeakPolarHBondContact O-CB 3.09Å; V160-I164 WeakPolarHBondContact O-CD1 3.22Å; V160-I164 WeakPolarHBondContact O-CG1 3.47Å; V160-I164 PolarHBondContact O-N 3.37Å; F161-I164 PolarHBondContact O-N 3.46Å; Y162-I164 VanDerWaalsContact C-N 3.31Å; Y162-I164 PolarHBondContact O-N 3Å; I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 3Å; I164-V167 PolarHBondContact O-N 2.79Å; I164-L168 HydrophobicContact CG2-CD1 3.64Å; I164-L168 HydrophobicContact CG2-CG 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.37Å; I164-L168 WeakPolarHBondContact O-CG 3.45Å; I164-L168 PolarHBondContact O-N 3Å; I164-L178 HydrophobicContact CB-CD2 4.39Å; I164-L178 HydrophobicContact CG1-CD2 4.11Å; I164-L178 HydrophobicContact CG2-CD2 3.74Å; I164-L182 HydrophobicContact CD1-CD2 3.48Å; I164-L182 VanDerWaalsContact CD1-CD2 3.48Å; I164-L182 HydrophobicContact CD1-CG 4.12Å; I164-L193 HydrophobicContact CD1-CD2 3.79Å; I164-Y197 WeakPolarHBondContact CG2-OH 3.25Å; I164-F205 HydrophobicContact CD1-CE2 4.46Å; I164-F205 HydrophobicContact CD1-CZ 4.27Å; I164-F205 HydrophobicContact CG2-CE2 4.33Å |
| 165 | M | 90.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 39% | 0.394 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 176.6 | -72.2 | -172.3 | 62.3 | 0 | 0 | 111.3 | F161 Y162 D163 V167 L168 D169 | F161-M165 HydrophobicContact CD1-SD 4.3Å; F161-M165 HydrophobicContact CE1-CG 4.39Å; F161-M165 HydrophobicContact CE1-SD 3.5Å; F161-M165 WeakPolarHBondContact CE1-SD 3.5Å; F161-M165 HydrophobicContact CE2-SD 4.44Å; F161-M165 HydrophobicContact CZ-CG 4.27Å; F161-M165 HydrophobicContact CZ-SD 3.58Å; F161-M165 VanDerWaalsContact CZ-SD 3.58Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.03Å; F161-M165 VanDerWaalsContact O-N 3.14Å; Y162-M165 WeakPolarHBondContact O-CB 3.26Å; Y162-M165 PolarHBondContact O-N 2.88Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.33Å; M165-V167 PolarHBondContact O-N 3.29Å; M165-L168 PolarHBondContact O-N 3.24Å; M165-D169 PolarHBondContact O-N 3.47Å |
| 166 | V | 92.6 | Very high | 91.6 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | Y162 D163 I164 L168 D169 S170 | Y162-V166 PolarHBondContact O-N 3.42Å; D163-V166 PolarHBondContact O-N 2.82Å; I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 3Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.14Å; V166-D169 PolarHBondContact O-N 2.85Å; V166-S170 PolarHBondContact O-N 3.24Å |
| 167 | V | 93 | Very high | 91.6 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 178.6 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | D163 I164 M165 D169 S170 V174 Q177 L178 | D163-V167 VanDerWaalsContact O-CG2 3.28Å; D163-V167 WeakPolarHBondContact O-CG2 3.31Å; D163-V167 PolarHBondContact O-N 2.78Å; I164-V167 PolarHBondContact O-N 2.79Å; M165-V167 PolarHBondContact O-N 3.29Å; V167-D169 VanDerWaalsContact C-N 3.27Å; V167-D169 PolarHBondContact O-N 3.5Å; V167-S170 WeakPolarHBondContact O-CB 3.5Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 VanDerWaalsContact O-N 3.07Å; V167-S170 PolarHBondContact O-OG 2.91Å; V167-V174 HydrophobicContact CG1-CG1 4.1Å; V167-Q177 HydrophobicContact CB-CB 4.39Å; V167-Q177 HydrophobicContact CG1-CB 3.52Å; V167-Q177 HydrophobicContact CG2-CB 3.89Å; V167-L178 HydrophobicContact CG1-CD2 3.96Å; V167-L178 HydrophobicContact CG1-CG 3.98Å |
| 168 | L | 90.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.3 | -25.3 | -179.3 | -70.6 | 173.7 | 0 | 0 | 0 | 113.3 | I164 M165 V166 S170 V174 L178 V208 R212 | I164-L168 HydrophobicContact CG2-CD1 3.64Å; I164-L168 HydrophobicContact CG2-CG 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.37Å; I164-L168 WeakPolarHBondContact O-CG 3.45Å; I164-L168 PolarHBondContact O-N 3Å; M165-L168 PolarHBondContact O-N 3.24Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.14Å; L168-S170 VanDerWaalsContact C-N 3.29Å; L168-V174 HydrophobicContact CD2-CG1 4.23Å; L168-L178 HydrophobicContact CD2-CD1 4.22Å; L168-L178 HydrophobicContact CD2-CD2 4.27Å; L168-L178 HydrophobicContact CG-CD2 4.5Å; L168-V208 HydrophobicContact CD1-CG1 3.79Å; L168-V208 HydrophobicContact CD2-CG1 3.48Å; L168-V208 VanDerWaalsContact CD2-CG1 3.48Å; L168-V208 HydrophobicContact CG-CG1 4.3Å; L168-R212 HydrophobicContact CD2-CB 4.4Å; L168-R212 HydrophobicContact CD2-CG 3.92Å |
| 169 | D | 89.4 | Confident | 91.4 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.9 | 172.7 | -68.1 | -19.8 | 0 | 0 | 0 | 112.3 | M165 V166 V167 | M165-D169 PolarHBondContact O-N 3.47Å; V166-D169 PolarHBondContact O-N 2.85Å; V167-D169 VanDerWaalsContact C-N 3.27Å; V167-D169 PolarHBondContact O-N 3.5Å |
| 170 | S | 88.2 | Confident | 91.3 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | trans | -83.4 | 153.6 | 176.4 | 85.6 | 0 | 0 | 0 | 0 | 112.5 | V166 V167 L168 V174 Q177 | V166-S170 PolarHBondContact O-N 3.24Å; V167-S170 WeakPolarHBondContact O-CB 3.5Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 VanDerWaalsContact O-N 3.07Å; V167-S170 PolarHBondContact O-OG 2.91Å; L168-S170 VanDerWaalsContact C-N 3.29Å; S170-V174 WeakPolarHBondContact O-CG2 3.22Å; S170-Q177 PolarHBondContact OG-NE2 3.17Å | ||
| 171 | N | 80.7 | Confident | 91.3 | Very high | 162 Ų | 162 | 67 Ų | 67 | 87% | 0.866 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -103 | -2 | -177.5 | -74.4 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 172 | K | 86.4 | Confident | 91.4 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -124.3 | 134.5 | -174.1 | -66.5 | -173.2 | 179.5 | -177.2 | 0 | 110.7 | V174 Q177 | K172-V174 PolarHBondContact O-N 3.06Å; K172-Q177 PolarHBondContact O-NE2 2.92Å |
| 173 | D | 87.6 | Confident | 91.5 | Very high | 113 Ų | 113 | 59 Ų | 59 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 52.2 | 30.6 | 170.8 | -51 | -39.7 | 0 | 0 | 0 | 114.9 | G175 Q176 Q177 | D173-G175 PolarHBondContact O-N 2.97Å; D173-Q176 HydrophobicContact CB-CB 4.35Å; D173-Q176 PolarHBondContact O-N 2.75Å; D173-Q177 WeakPolarHBondContact O-CG 3.47Å; D173-Q177 PolarHBondContact O-N 2.73Å |
| 174 | V | 91.7 | Very high | 91.5 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -51.1 | -46.6 | -174.8 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | V167 L168 S170 K172 Q176 Q177 L178 R212 | V167-V174 HydrophobicContact CG1-CG1 4.1Å; L168-V174 HydrophobicContact CD2-CG1 4.23Å; S170-V174 WeakPolarHBondContact O-CG2 3.22Å; K172-V174 PolarHBondContact O-N 3.06Å; V174-Q176 PolarHBondContact O-N 2.73Å; V174-Q177 PolarHBondContact O-N 3.09Å; V174-L178 HydrophobicContact CG1-CD1 3.99Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.18Å; V174-L178 PolarHBondContact O-N 2.84Å; V174-R212 HydrophobicContact CG1-CB 4.01Å |
| 175 | G | 90.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | D173 L178 G179 R212 L217 | D173-G175 PolarHBondContact O-N 2.97Å; G175-L178 PolarHBondContact O-N 3.45Å; G175-G179 PolarHBondContact O-N 3.37Å; G175-R212 PolarHBondContact N-O 2.85Å; G175-L217 VanDerWaalsContact O-CD2 3.23Å; G175-L217 WeakPolarHBondContact O-CD2 3.46Å |
| 176 | Q | 91.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 177.3 | -175.3 | 172.4 | -2 | 0 | 0 | 111.5 | D173 V174 G179 Q180 L217 | D173-Q176 HydrophobicContact CB-CB 4.35Å; D173-Q176 PolarHBondContact O-N 2.75Å; V174-Q176 PolarHBondContact O-N 2.73Å; Q176-G179 PolarHBondContact O-N 2.86Å; Q176-Q180 WeakPolarHBondContact O-CG 3.02Å; Q176-Q180 PolarHBondContact O-N 3.41Å; Q176-Q180 VanDerWaalsContact O-N 3.08Å; Q176-L217 HydrophobicContact CB-CD2 4.42Å |
| 177 | Q | 93.6 | Very high | 92 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 177.2 | -67.7 | -171.3 | 68.1 | 0 | 0 | 111.5 | V167 S170 K172 D173 V174 G179 Q180 R181 | V167-Q177 HydrophobicContact CB-CB 4.39Å; V167-Q177 HydrophobicContact CG1-CB 3.52Å; V167-Q177 HydrophobicContact CG2-CB 3.89Å; S170-Q177 PolarHBondContact OG-NE2 3.17Å; K172-Q177 PolarHBondContact O-NE2 2.92Å; D173-Q177 WeakPolarHBondContact O-CG 3.47Å; D173-Q177 PolarHBondContact O-N 2.73Å; V174-Q177 PolarHBondContact O-N 3.09Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; Q177-G179 PolarHBondContact O-N 2.71Å; Q177-Q180 PolarHBondContact O-N 2.67Å; Q177-R181 WeakPolarHBondContact O-CD 3.2Å; Q177-R181 PolarHBondContact O-N 2.73Å |
| 178 | L | 94 | Very high | 92 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 173.4 | -72.4 | 175.7 | 0 | 0 | 0 | 111 | I164 V167 L168 V174 G175 Q180 R181 L182 R212 T213 L221 | I164-L178 HydrophobicContact CB-CD2 4.39Å; I164-L178 HydrophobicContact CG1-CD2 4.11Å; I164-L178 HydrophobicContact CG2-CD2 3.74Å; V167-L178 HydrophobicContact CG1-CD2 3.96Å; V167-L178 HydrophobicContact CG1-CG 3.98Å; L168-L178 HydrophobicContact CD2-CD1 4.22Å; L168-L178 HydrophobicContact CD2-CD2 4.27Å; L168-L178 HydrophobicContact CG-CD2 4.5Å; V174-L178 HydrophobicContact CG1-CD1 3.99Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.18Å; V174-L178 PolarHBondContact O-N 2.84Å; G175-L178 PolarHBondContact O-N 3.45Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.42Å; L178-R181 PolarHBondContact O-N 2.99Å; L178-R181 VanDerWaalsContact O-N 3.14Å; L178-L182 HydrophobicContact CB-CD1 4.23Å; L178-L182 VanDerWaalsContact O-CB 3.32Å; L178-L182 WeakPolarHBondContact O-CB 3.36Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.24Å; L178-R212 HydrophobicContact CD1-CB 4.08Å; L178-T213 HydrophobicContact CD1-CG2 3.89Å; L178-L221 HydrophobicContact CB-CD1 4.45Å |
| 179 | G | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G175 Q176 Q177 R181 C183 | G175-G179 PolarHBondContact O-N 3.37Å; Q176-G179 PolarHBondContact O-N 2.86Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; Q177-G179 PolarHBondContact O-N 2.71Å; G179-R181 PolarHBondContact O-N 3.06Å; G179-C183 VanDerWaalsContact O-CB 3.24Å; G179-C183 WeakPolarHBondContact O-CB 3.31Å; G179-C183 PolarHBondContact O-N 3.45Å; G179-C183 PolarHBondContact O-SG 3.15Å |
| 180 | Q | 94.1 | Very high | 92.5 | Very high | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -19.9 | -179.2 | -70.2 | 173.4 | 0.6 | 0 | 0 | 114.7 | Q176 Q177 L178 K184 | Q176-Q180 WeakPolarHBondContact O-CG 3.02Å; Q176-Q180 PolarHBondContact O-N 3.41Å; Q176-Q180 VanDerWaalsContact O-N 3.08Å; Q177-Q180 PolarHBondContact O-N 2.67Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.42Å; Q180-K184 VanDerWaalsContact O-CE 3.3Å; Q180-K184 WeakPolarHBondContact O-CE 3.44Å |
| 181 | R | 95.3 | Very high | 92.8 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -99.6 | -47.2 | 178.9 | -80.5 | 78.9 | -178.1 | 125.4 | -4.7 | 110.9 | V160 D163 Q177 L178 G179 C183 K184 | V160-R181 HydrophobicContact CG1-CB 4.31Å; D163-R181 HydrophobicContact CB-CG 3.93Å; Q177-R181 WeakPolarHBondContact O-CD 3.2Å; Q177-R181 PolarHBondContact O-N 2.73Å; L178-R181 PolarHBondContact O-N 2.99Å; L178-R181 VanDerWaalsContact O-N 3.14Å; G179-R181 PolarHBondContact O-N 3.06Å; R181-C183 VanDerWaalsContact C-N 3.32Å; R181-C183 PolarHBondContact O-N 3.22Å; R181-K184 WeakPolarHBondContact O-CB 3.31Å; R181-K184 PolarHBondContact O-N 3.29Å |
| 182 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | -178 | -71.1 | 173.1 | 0 | 0 | 0 | 112 | I164 L178 K184 L185 F190 L193 F205 L209 L221 M224 | I164-L182 HydrophobicContact CD1-CD2 3.48Å; I164-L182 VanDerWaalsContact CD1-CD2 3.48Å; I164-L182 HydrophobicContact CD1-CG 4.12Å; L178-L182 HydrophobicContact CB-CD1 4.23Å; L178-L182 VanDerWaalsContact O-CB 3.32Å; L178-L182 WeakPolarHBondContact O-CB 3.36Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.24Å; L182-K184 PolarHBondContact O-N 2.94Å; L182-L185 PolarHBondContact O-N 3.07Å; L182-F190 HydrophobicContact CB-CE2 4.07Å; L182-F190 HydrophobicContact CD1-CZ 4.39Å; L182-F190 HydrophobicContact CD2-CE2 3.83Å; L182-F190 HydrophobicContact CD2-CZ 3.86Å; L182-F190 HydrophobicContact CG-CE2 4.4Å; L182-L193 HydrophobicContact CD2-CD2 3.69Å; L182-F205 HydrophobicContact CD1-CE1 4.37Å; L182-F205 HydrophobicContact CD1-CZ 3.97Å; L182-F205 HydrophobicContact CD2-CE1 4.06Å; L182-F205 HydrophobicContact CD2-CZ 3.74Å; L182-F205 HydrophobicContact CG-CZ 4.47Å; L182-L209 HydrophobicContact CD1-CD2 3.67Å; L182-L221 HydrophobicContact CB-CD2 3.95Å; L182-L221 HydrophobicContact CD1-CD2 3.96Å; L182-M224 WeakPolarHBondContact O-CE 3.42Å |
| 183 | C | 95.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.8 | 179 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | T125 C128 I129 T132 G179 R181 | T125-C183 HydrophobicContact CG2-CB 4.39Å; C128-C183 CarbonylContact C-O 3.53Å; C128-C183 HydrophobicContact CB-CB 3.58Å; C128-C183 WeakPolarHBondContact CB-SG 3.46Å; C128-C183 WeakPolarHBondContact SG-CB 3.43Å; C128-C183 PolarHBondContact SG-O 3.38Å; C128-C183 VanDerWaalsContact SG-O 3.34Å; C128-C183 CovalentContact SG-SG 2.04Å; C128-C183 PolarHBondContact SG-SG 2.92Å; I129-C183 HydrophobicContact CG1-CB 3.84Å; T132-C183 VanDerWaalsContact CG2-O 3.23Å; T132-C183 WeakPolarHBondContact CG2-O 3.23Å; G179-C183 VanDerWaalsContact O-CB 3.24Å; G179-C183 WeakPolarHBondContact O-CB 3.31Å; G179-C183 PolarHBondContact O-N 3.45Å; G179-C183 PolarHBondContact O-SG 3.15Å; R181-C183 VanDerWaalsContact C-N 3.32Å; R181-C183 PolarHBondContact O-N 3.22Å |
| 184 | K | 95.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 33 Ų | 33 | 52% | 0.517 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.2 | 178.7 | -57.7 | 178.4 | 178.7 | 177.7 | 0 | 114 | T132 Q180 R181 L182 | T132-K184 VanDerWaalsContact CG2-C 3.44Å; T132-K184 WeakPolarHBondContact CG2-O 3.36Å; Q180-K184 VanDerWaalsContact O-CE 3.3Å; Q180-K184 WeakPolarHBondContact O-CE 3.44Å; R181-K184 WeakPolarHBondContact O-CB 3.31Å; R181-K184 PolarHBondContact O-N 3.29Å; L182-K184 PolarHBondContact O-N 2.94Å |
| 185 | L | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -100 | 128 | 178.7 | -59 | -174.8 | 0 | 0 | 0 | 110.6 | V160 L182 Q189 F190 L193 M224 | V160-L185 HydrophobicContact CB-CD1 4.26Å; V160-L185 HydrophobicContact CB-CD2 4.08Å; V160-L185 HydrophobicContact CB-CG 4.37Å; V160-L185 HydrophobicContact CG1-CD1 3.77Å; V160-L185 HydrophobicContact CG1-CD2 4.37Å; V160-L185 HydrophobicContact CG1-CG 4.11Å; V160-L185 HydrophobicContact CG2-CD2 3.76Å; V160-L185 HydrophobicContact CG2-CG 4.23Å; L182-L185 PolarHBondContact O-N 3.07Å; L185-Q189 HydrophobicContact CB-CB 4.03Å; L185-Q189 HydrophobicContact CD2-CB 4.1Å; L185-F190 HydrophobicContact CB-CB 4.43Å; L185-F190 HydrophobicContact CB-CD2 4.26Å; L185-L193 HydrophobicContact CD1-CB 4.18Å; L185-L193 HydrophobicContact CD1-CD2 3.73Å; L185-M224 WeakPolarHBondContact O-CE 3.21Å |
| 186 | D | 94.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | trans | -65.7 | 164.8 | 163.5 | 72.8 | 59.3 | 0 | 0 | 0 | 110.8 | W91 F188 Q189 F190 | W91-D186 HydrophobicContact CH2-CB 4.39Å; D186-F188 VanDerWaalsContact C-N 3.28Å; D186-F188 PolarHBondContact O-N 3.45Å; D186-F188 WeakPolarHBondContact OD1-CA 3.5Å; D186-F188 WeakPolarHBondContact OD1-CB 2.68Å; D186-F188 PolarHBondContact OD1-N 3.42Å; D186-Q189 WeakPolarHBondContact O-CB 3.42Å; D186-Q189 PolarHBondContact O-N 3.03Å; D186-Q189 PolarHBondContact OD1-N 3.48Å; D186-Q189 VanDerWaalsContact OD2-CG 3.23Å; D186-Q189 WeakPolarHBondContact OD2-CG 3.31Å; D186-Q189 PolarHBondContact OD2-NE2 3.05Å; D186-F190 WeakPolarHBondContact O-CB 3.46Å; D186-F190 PolarHBondContact O-N 2.68Å | ||
| 187 | P | 94.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.045 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.2 | -36.7 | -178.6 | -31.8 | 38.7 | 0 | 0 | 0 | 115.6 | W91 R133 F190 Q191 Y227 S228 | W91-P187 HydrophobicContact CH2-CG 4.3Å; W91-P187 HydrophobicContact CZ2-CG 3.93Å; R133-P187 VanDerWaalsContact NH1-CG 3.32Å; P187-F190 PolarHBondContact O-N 3.48Å; P187-Q191 WeakPolarHBondContact O-CB 3.28Å; P187-Q191 PolarHBondContact O-N 3.18Å; P187-Y227 HydrophobicContact CB-CD1 4.47Å; P187-Y227 HydrophobicContact CB-CE1 4.34Å; P187-Y227 HydrophobicContact CG-CD1 4.16Å; P187-Y227 HydrophobicContact CG-CE1 3.85Å; P187-S228 WeakPolarHBondContact CA-OG 3.45Å |
| 188 | F | 94.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.7 | -39.3 | -177.4 | -50.7 | -67.9 | 0 | 0 | 0 | 110.7 | W91 P137 P150 V152 D186 Q191 R192 I308 Y309 | W91-F188 HydrophobicContact CH2-CD2 4.1Å; W91-F188 AromaticContact CH2-CE2 3.57Å; W91-F188 HydrophobicContact CH2-CE2 3.57Å; W91-F188 HydrophobicContact CH2-CZ 4.47Å; W91-F188 AromaticContact CZ2-CE2 3.78Å; W91-F188 HydrophobicContact CZ2-CE2 3.78Å; W91-F188 HydrophobicContact CZ2-CZ 4.26Å; P137-F188 HydrophobicContact CG-CD2 4.11Å; P137-F188 HydrophobicContact CG-CE2 4.47Å; P150-F188 HydrophobicContact CB-CB 4.44Å; P150-F188 HydrophobicContact CB-CD1 4.26Å; P150-F188 HydrophobicContact CB-CD2 3.75Å; P150-F188 HydrophobicContact CB-CE1 4.5Å; P150-F188 HydrophobicContact CB-CE2 3.99Å; P150-F188 HydrophobicContact CB-CG 3.88Å; P150-F188 HydrophobicContact CB-CZ 4.36Å; P150-F188 HydrophobicContact CG-CD1 3.76Å; P150-F188 HydrophobicContact CG-CD2 3.83Å; P150-F188 HydrophobicContact CG-CE1 3.61Å; P150-F188 HydrophobicContact CG-CE2 3.65Å; P150-F188 HydrophobicContact CG-CG 3.88Å; P150-F188 HydrophobicContact CG-CZ 3.54Å; V152-F188 HydrophobicContact CG2-CB 3.92Å; D186-F188 VanDerWaalsContact C-N 3.28Å; D186-F188 PolarHBondContact O-N 3.45Å; D186-F188 WeakPolarHBondContact OD1-CA 3.5Å; D186-F188 WeakPolarHBondContact OD1-CB 2.68Å; D186-F188 PolarHBondContact OD1-N 3.42Å; F188-Q191 PolarHBondContact O-N 3.33Å; F188-R192 PolarHBondContact O-N 3.46Å; F188-I308 HydrophobicContact CZ-CG2 4.4Å; F188-Y309 HydrophobicContact CE2-CD1 4.16Å; F188-Y309 HydrophobicContact CE2-CE1 4.15Å; F188-Y309 HydrophobicContact CZ-CD1 4.25Å; F188-Y309 HydrophobicContact CZ-CE1 4.48Å |
| 189 | Q | 95.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 169.7 | -69.9 | 175.5 | 14.9 | 0 | 0 | 111.8 | V152 V157 L185 D186 R192 L193 | V152-Q189 HydrophobicContact CG1-CB 4.43Å; V152-Q189 HydrophobicContact CG1-CG 3.88Å; V157-Q189 HydrophobicContact CG2-CB 3.64Å; V157-Q189 HydrophobicContact CG2-CG 3.94Å; V157-Q189 WeakPolarHBondContact CG2-O 3.22Å; L185-Q189 HydrophobicContact CB-CB 4.03Å; L185-Q189 HydrophobicContact CD2-CB 4.1Å; D186-Q189 WeakPolarHBondContact O-CB 3.42Å; D186-Q189 PolarHBondContact O-N 3.03Å; D186-Q189 PolarHBondContact OD1-N 3.48Å; D186-Q189 VanDerWaalsContact OD2-CG 3.23Å; D186-Q189 WeakPolarHBondContact OD2-CG 3.31Å; D186-Q189 PolarHBondContact OD2-NE2 3.05Å; Q189-R192 WeakPolarHBondContact O-CB 3.27Å; Q189-R192 PolarHBondContact O-N 3.24Å; Q189-L193 PolarHBondContact O-N 2.88Å |
| 190 | F | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.5 | -151.3 | -62.7 | 0 | 0 | 0 | 111.9 | L182 L185 D186 P187 R192 L193 N194 F205 M224 Y225 | L182-F190 HydrophobicContact CB-CE2 4.07Å; L182-F190 HydrophobicContact CD1-CZ 4.39Å; L182-F190 HydrophobicContact CD2-CE2 3.83Å; L182-F190 HydrophobicContact CD2-CZ 3.86Å; L182-F190 HydrophobicContact CG-CE2 4.4Å; L185-F190 HydrophobicContact CB-CB 4.43Å; L185-F190 HydrophobicContact CB-CD2 4.26Å; D186-F190 WeakPolarHBondContact O-CB 3.46Å; D186-F190 PolarHBondContact O-N 2.68Å; P187-F190 PolarHBondContact O-N 3.48Å; F190-R192 PolarHBondContact O-N 3.07Å; F190-L193 WeakPolarHBondContact O-CB 3.3Å; F190-L193 PolarHBondContact O-N 3.29Å; F190-L193 VanDerWaalsContact O-N 3.15Å; F190-N194 PolarHBondContact O-N 3.42Å; F190-F205 AromaticContact CE1-CD1 3.89Å; F190-F205 HydrophobicContact CE1-CD1 3.89Å; F190-F205 AromaticContact CE1-CE1 3.53Å; F190-F205 HydrophobicContact CE1-CE1 3.53Å; F190-F205 HydrophobicContact CZ-CD1 4.48Å; F190-F205 AromaticContact CZ-CE1 3.71Å; F190-F205 HydrophobicContact CZ-CE1 3.71Å; F190-M224 HydrophobicContact CD2-CE 3.33Å; F190-M224 HydrophobicContact CD2-CG 4.02Å; F190-M224 HydrophobicContact CD2-SD 4.13Å; F190-M224 HydrophobicContact CE2-CE 3.49Å; F190-M224 VanDerWaalsContact CE2-CE 3.49Å; F190-M224 HydrophobicContact CE2-CG 3.79Å; F190-M224 HydrophobicContact CE2-SD 3.73Å; F190-Y225 HydrophobicContact CD1-CD2 4.48Å; F190-Y225 AromaticContact CE1-CD2 3.83Å; F190-Y225 HydrophobicContact CE1-CD2 3.83Å |
| 191 | Q | 94.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 174.6 | -164.2 | -170.5 | 34.1 | 0 | 0 | 110.7 | P187 F188 N194 M195 I229 | P187-Q191 WeakPolarHBondContact O-CB 3.28Å; P187-Q191 PolarHBondContact O-N 3.18Å; F188-Q191 PolarHBondContact O-N 3.33Å; Q191-N194 PolarHBondContact O-N 3.11Å; Q191-M195 HydrophobicContact CG-CE 4.23Å; Q191-M195 WeakPolarHBondContact O-CG 3.41Å; Q191-M195 PolarHBondContact O-N 3.03Å; Q191-I229 HydrophobicContact CG-CD1 4.34Å |
| 192 | R | 93.8 | Very high | 90.7 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 174.8 | -178 | 60.9 | -180 | 172.9 | 0.3 | 112.4 | V152 V157 F188 Q189 F190 N194 M195 I196 | V152-R192 HydrophobicContact CG1-CB 3.99Å; V152-R192 HydrophobicContact CG1-CG 4.19Å; V157-R192 HydrophobicContact CG1-CB 4.38Å; V157-R192 HydrophobicContact CG1-CG 4.04Å; V157-R192 HydrophobicContact CG2-CB 4.32Å; V157-R192 HydrophobicContact CG2-CG 4.35Å; F188-R192 PolarHBondContact O-N 3.46Å; Q189-R192 WeakPolarHBondContact O-CB 3.27Å; Q189-R192 PolarHBondContact O-N 3.24Å; F190-R192 PolarHBondContact O-N 3.07Å; R192-N194 VanDerWaalsContact C-N 3.32Å; R192-N194 PolarHBondContact O-N 3.17Å; R192-M195 WeakPolarHBondContact O-CB 3.35Å; R192-M195 PolarHBondContact O-N 2.99Å; R192-I196 PolarHBondContact O-N 2.76Å |
| 193 | L | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.8 | -46.9 | 173.1 | 179.2 | 67.9 | 0 | 0 | 0 | 110.8 | V157 V160 F161 I164 L182 L185 Q189 F190 M195 I196 Y197 F205 | V157-L193 HydrophobicContact CG1-CB 4.08Å; V157-L193 HydrophobicContact CG1-CD1 4.44Å; V160-L193 HydrophobicContact CG1-CD2 4.48Å; F161-L193 HydrophobicContact CB-CD1 3.68Å; F161-L193 HydrophobicContact CD2-CD1 3.83Å; F161-L193 HydrophobicContact CG-CD1 4.25Å; I164-L193 HydrophobicContact CD1-CD2 3.79Å; L182-L193 HydrophobicContact CD2-CD2 3.69Å; L185-L193 HydrophobicContact CD1-CB 4.18Å; L185-L193 HydrophobicContact CD1-CD2 3.73Å; Q189-L193 PolarHBondContact O-N 2.88Å; F190-L193 WeakPolarHBondContact O-CB 3.3Å; F190-L193 PolarHBondContact O-N 3.29Å; F190-L193 VanDerWaalsContact O-N 3.15Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3.26Å; L193-I196 WeakPolarHBondContact O-CB 3.49Å; L193-I196 PolarHBondContact O-N 3.26Å; L193-Y197 HydrophobicContact CD1-CD2 4.25Å; L193-Y197 HydrophobicContact CD1-CE2 4.01Å; L193-Y197 HydrophobicContact CG-CD2 4.26Å; L193-Y197 HydrophobicContact CG-CE2 4.28Å; L193-Y197 PolarHBondContact O-N 3.47Å; L193-Y197 VanDerWaalsContact O-N 3.15Å; L193-F205 HydrophobicContact CD2-CE1 4.2Å; L193-F205 HydrophobicContact CD2-CZ 4.11Å |
| 194 | N | 94 | Very high | 89.2 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -37 | 177.7 | -172.5 | 41.9 | 0 | 0 | 0 | 112.6 | F190 Q191 R192 I196 Y197 K198 Y225 I229 | F190-N194 PolarHBondContact O-N 3.42Å; Q191-N194 PolarHBondContact O-N 3.11Å; R192-N194 VanDerWaalsContact C-N 3.32Å; R192-N194 PolarHBondContact O-N 3.17Å; N194-I196 VanDerWaalsContact C-N 3.27Å; N194-I196 PolarHBondContact O-N 2.94Å; N194-Y197 PolarHBondContact O-N 2.91Å; N194-K198 WeakPolarHBondContact O-CG 3.44Å; N194-K198 PolarHBondContact O-N 2.97Å; N194-Y225 HydrophobicContact CB-CE2 4.42Å; N194-I229 HydrophobicContact CB-CD1 3.52Å; N194-I229 WeakPolarHBondContact ND2-CD1 3.43Å; N194-I229 WeakPolarHBondContact ND2-CG1 3.3Å |
| 195 | M | 92.3 | Very high | 88.9 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 174 | -69 | -179.4 | -172.9 | 0 | 0 | 113 | Q191 R192 L193 | Q191-M195 HydrophobicContact CG-CE 4.23Å; Q191-M195 WeakPolarHBondContact O-CG 3.41Å; Q191-M195 PolarHBondContact O-N 3.03Å; R192-M195 WeakPolarHBondContact O-CB 3.35Å; R192-M195 PolarHBondContact O-N 2.99Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3.26Å |
| 196 | I | 92 | Very high | 88.6 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 174.3 | -63.4 | 168.3 | 0 | 0 | 0 | 109.7 | V157 F161 R192 L193 N194 K198 R199 | V157-I196 HydrophobicContact CG1-CD1 3.85Å; F161-I196 HydrophobicContact CD2-CG2 3.82Å; F161-I196 HydrophobicContact CE1-CG2 4.38Å; F161-I196 HydrophobicContact CE2-CG2 3.58Å; F161-I196 HydrophobicContact CG-CG2 4.33Å; F161-I196 HydrophobicContact CZ-CG2 3.89Å; R192-I196 PolarHBondContact O-N 2.76Å; L193-I196 WeakPolarHBondContact O-CB 3.49Å; L193-I196 PolarHBondContact O-N 3.26Å; N194-I196 VanDerWaalsContact C-N 3.27Å; N194-I196 PolarHBondContact O-N 2.94Å; I196-K198 PolarHBondContact O-N 3.41Å; I196-R199 PolarHBondContact O-N 3.46Å |
| 197 | Y | 88.4 | Confident | 88.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 177.1 | -89.5 | -88.3 | 0 | 0 | 0 | 113.3 | F161 I164 L193 N194 R199 K200 F205 | F161-Y197 HydrophobicContact CD2-CD2 4.14Å; F161-Y197 AromaticContact CD2-CE2 3.62Å; F161-Y197 HydrophobicContact CD2-CE2 3.62Å; F161-Y197 HydrophobicContact CE2-CD2 4.08Å; F161-Y197 AromaticContact CE2-CE2 3.7Å; F161-Y197 HydrophobicContact CE2-CE2 3.7Å; F161-Y197 AromaticContact CE2-CZ 3.99Å; I164-Y197 WeakPolarHBondContact CG2-OH 3.25Å; L193-Y197 HydrophobicContact CD1-CD2 4.25Å; L193-Y197 HydrophobicContact CD1-CE2 4.01Å; L193-Y197 HydrophobicContact CG-CD2 4.26Å; L193-Y197 HydrophobicContact CG-CE2 4.28Å; L193-Y197 PolarHBondContact O-N 3.47Å; L193-Y197 VanDerWaalsContact O-N 3.15Å; N194-Y197 PolarHBondContact O-N 2.91Å; Y197-R199 PolarHBondContact O-N 3.13Å; Y197-K200 WeakPolarHBondContact O-CB 3.27Å; Y197-K200 PolarHBondContact O-N 3.38Å; Y197-F205 HydrophobicContact CD1-CB 4.25Å; Y197-F205 AromaticContact CD1-CD2 3.83Å; Y197-F205 HydrophobicContact CD1-CD2 3.83Å; Y197-F205 HydrophobicContact CD2-CB 4.16Å; Y197-F205 AromaticContact CD2-CD2 3.5Å; Y197-F205 HydrophobicContact CD2-CD2 3.5Å; Y197-F205 HydrophobicContact CD2-CE2 4.18Å; Y197-F205 AromaticContact CD2-CG 3.98Å; Y197-F205 HydrophobicContact CD2-CG 3.98Å; Y197-F205 AromaticContact CE1-CD2 3.77Å; Y197-F205 HydrophobicContact CE1-CD2 3.77Å; Y197-F205 HydrophobicContact CE1-CE2 4.36Å; Y197-F205 AromaticContact CE2-CD2 3.42Å; Y197-F205 HydrophobicContact CE2-CD2 3.42Å; Y197-F205 VanDerWaalsContact CE2-CD2 3.42Å; Y197-F205 AromaticContact CE2-CE2 3.66Å; Y197-F205 HydrophobicContact CE2-CE2 3.66Å; Y197-F205 HydrophobicContact CE2-CG 4.31Å; Y197-F205 HydrophobicContact CG-CB 3.81Å; Y197-F205 AromaticContact CG-CD2 3.71Å; Y197-F205 HydrophobicContact CG-CD2 3.71Å; Y197-F205 HydrophobicContact CG-CG 4.08Å; Y197-F205 AromaticContact CZ-CD2 3.57Å; Y197-F205 AromaticContact CZ-CE2 3.78Å |
| 198 | K | 87.7 | Confident | 88.1 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.4 | 176.2 | -80.5 | -176.4 | 175.2 | -171.7 | 0 | 114.2 | N194 I196 K200 | N194-K198 WeakPolarHBondContact O-CG 3.44Å; N194-K198 PolarHBondContact O-N 2.97Å; I196-K198 PolarHBondContact O-N 3.41Å; K198-K200 VanDerWaalsContact C-N 3.34Å |
| 199 | R | 87.5 | Confident | 88 | Confident | 192 Ų | 192 | 62 Ų | 62 | 73% | 0.725 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.3 | 176.6 | -65.1 | 172.8 | 177.8 | -170.1 | -5.5 | 113 | I196 Y197 | I196-R199 PolarHBondContact O-N 3.46Å; Y197-R199 PolarHBondContact O-N 3.13Å |
| 200 | K | 80.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -89.6 | 141.5 | 176.9 | -63.6 | -69.6 | -172.5 | 171.5 | 0 | 109.4 | Y197 K198 V202 | Y197-K200 WeakPolarHBondContact O-CB 3.27Å; Y197-K200 PolarHBondContact O-N 3.38Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K200-V202 VanDerWaalsContact C-N 3.33Å; K200-V202 PolarHBondContact O-N 3.06Å |
| 201 | P | 72.4 | Confident | 87.6 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 83% | 0.825 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -77.1 | -16.1 | -174.6 | 28 | -33.4 | 0 | 0 | 0 | 114.2 | ||
| 202 | V | 69.8 | Low | 87.5 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 73% | 0.733 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -91.7 | -53.4 | -160 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | K200 | K200-V202 VanDerWaalsContact C-N 3.33Å; K200-V202 PolarHBondContact O-N 3.06Å |
| 203 | R | 75 | Confident | 87.4 | Confident | 122 Ų | 122 | 68 Ų | 68 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | trans | -147.9 | 143 | -176.3 | -74.9 | -178.7 | -168.5 | -177.6 | 3 | 111.1 | V208 | R203-V208 HydrophobicContact CB-CG2 4.06Š| ||
| 204 | Q | 86.4 | Confident | 87.3 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | trans | -75.2 | 150.6 | 170.4 | -60.9 | -61 | -30.7 | 0 | 0 | 110 | G206 E207 V208 | Q204-G206 VanDerWaalsContact C-N 3.29Å; Q204-G206 PolarHBondContact O-N 2.97Å; Q204-E207 HydrophobicContact CB-CG 4.16Å; Q204-E207 PolarHBondContact N-OE2 2.96Å; Q204-E207 WeakPolarHBondContact O-CB 3.38Å; Q204-E207 PolarHBondContact O-N 3.32Å; Q204-E207 VanDerWaalsContact O-N 3.14Å; Q204-V208 PolarHBondContact O-N 2.86Å | ||
| 205 | F | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | -176 | -166.7 | -117.3 | 0 | 0 | 0 | 112.9 | I164 L182 F190 L193 Y197 E207 V208 L209 Y225 | I164-F205 HydrophobicContact CD1-CE2 4.46Å; I164-F205 HydrophobicContact CD1-CZ 4.27Å; I164-F205 HydrophobicContact CG2-CE2 4.33Å; L182-F205 HydrophobicContact CD1-CE1 4.37Å; L182-F205 HydrophobicContact CD1-CZ 3.97Å; L182-F205 HydrophobicContact CD2-CE1 4.06Å; L182-F205 HydrophobicContact CD2-CZ 3.74Å; L182-F205 HydrophobicContact CG-CZ 4.47Å; F190-F205 AromaticContact CE1-CD1 3.89Å; F190-F205 HydrophobicContact CE1-CD1 3.89Å; F190-F205 AromaticContact CE1-CE1 3.53Å; F190-F205 HydrophobicContact CE1-CE1 3.53Å; F190-F205 HydrophobicContact CZ-CD1 4.48Å; F190-F205 AromaticContact CZ-CE1 3.71Å; F190-F205 HydrophobicContact CZ-CE1 3.71Å; L193-F205 HydrophobicContact CD2-CE1 4.2Å; L193-F205 HydrophobicContact CD2-CZ 4.11Å; Y197-F205 HydrophobicContact CD1-CB 4.25Å; Y197-F205 AromaticContact CD1-CD2 3.83Å; Y197-F205 HydrophobicContact CD1-CD2 3.83Å; Y197-F205 HydrophobicContact CD2-CB 4.16Å; Y197-F205 AromaticContact CD2-CD2 3.5Å; Y197-F205 HydrophobicContact CD2-CD2 3.5Å; Y197-F205 HydrophobicContact CD2-CE2 4.18Å; Y197-F205 AromaticContact CD2-CG 3.98Å; Y197-F205 HydrophobicContact CD2-CG 3.98Å; Y197-F205 AromaticContact CE1-CD2 3.77Å; Y197-F205 HydrophobicContact CE1-CD2 3.77Å; Y197-F205 HydrophobicContact CE1-CE2 4.36Å; Y197-F205 AromaticContact CE2-CD2 3.42Å; Y197-F205 HydrophobicContact CE2-CD2 3.42Å; Y197-F205 VanDerWaalsContact CE2-CD2 3.42Å; Y197-F205 AromaticContact CE2-CE2 3.66Å; Y197-F205 HydrophobicContact CE2-CE2 3.66Å; Y197-F205 HydrophobicContact CE2-CG 4.31Å; Y197-F205 HydrophobicContact CG-CB 3.81Å; Y197-F205 AromaticContact CG-CD2 3.71Å; Y197-F205 HydrophobicContact CG-CD2 3.71Å; Y197-F205 HydrophobicContact CG-CG 4.08Å; Y197-F205 AromaticContact CZ-CD2 3.57Å; Y197-F205 AromaticContact CZ-CE2 3.78Å; F205-E207 PolarHBondContact O-N 3.02Å; F205-V208 WeakPolarHBondContact O-CB 3.39Å; F205-V208 PolarHBondContact O-N 3.5Å; F205-V208 VanDerWaalsContact O-N 3.17Å; F205-L209 HydrophobicContact CD1-CD1 4.21Å; F205-L209 HydrophobicContact CD1-CG 4.44Å; F205-L209 HydrophobicContact CE1-CD1 3.91Å; F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CE1-CG 4.08Å; F205-L209 HydrophobicContact CZ-CD2 4.06Å; F205-L209 HydrophobicContact CZ-CG 4.32Å; F205-L209 PolarHBondContact O-N 3.4Å; F205-L209 VanDerWaalsContact O-N 3.1Å; F205-Y225 HydrophobicContact CB-CE2 4.41Å; F205-Y225 HydrophobicContact CD1-CD2 4.04Å; F205-Y225 HydrophobicContact CD1-CE2 4.18Å |
| 206 | G | 89.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q204 V208 L209 E210 | Q204-G206 VanDerWaalsContact C-N 3.29Å; Q204-G206 PolarHBondContact O-N 2.97Å; G206-V208 PolarHBondContact O-N 3.45Å; G206-L209 WeakPolarHBondContact O-CB 3.4Å; G206-L209 PolarHBondContact O-N 2.98Å; G206-L209 VanDerWaalsContact O-N 3.08Å; G206-E210 WeakPolarHBondContact O-CG 3.34Å; G206-E210 PolarHBondContact O-N 3.2Å |
| 207 | E | 88.9 | Confident | 87.5 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -31.7 | 178.6 | -61 | 164.9 | 177.9 | 0 | 0 | 112.6 | Q204 F205 S211 | Q204-E207 HydrophobicContact CB-CG 4.16Å; Q204-E207 PolarHBondContact N-OE2 2.96Å; Q204-E207 WeakPolarHBondContact O-CB 3.38Å; Q204-E207 PolarHBondContact O-N 3.32Å; Q204-E207 VanDerWaalsContact O-N 3.14Å; F205-E207 PolarHBondContact O-N 3.02Å; E207-S211 WeakPolarHBondContact O-CB 3.36Å; E207-S211 PolarHBondContact O-N 3.4Å; E207-S211 PolarHBondContact O-OG 3.24Å |
| 208 | V | 89.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | L168 R203 Q204 F205 G206 S211 R212 | L168-V208 HydrophobicContact CD1-CG1 3.79Å; L168-V208 HydrophobicContact CD2-CG1 3.48Å; L168-V208 VanDerWaalsContact CD2-CG1 3.48Å; L168-V208 HydrophobicContact CG-CG1 4.3Å; R203-V208 HydrophobicContact CB-CG2 4.06Å; Q204-V208 PolarHBondContact O-N 2.86Å; F205-V208 WeakPolarHBondContact O-CB 3.39Å; F205-V208 PolarHBondContact O-N 3.5Å; F205-V208 VanDerWaalsContact O-N 3.17Å; G206-V208 PolarHBondContact O-N 3.45Å; V208-S211 PolarHBondContact O-N 2.93Å; V208-S211 PolarHBondContact O-OG 3.05Å; V208-R212 HydrophobicContact CG1-CG 4.22Å; V208-R212 VanDerWaalsContact O-CB 3.22Å; V208-R212 WeakPolarHBondContact O-CB 3.49Å; V208-R212 VanDerWaalsContact O-CG 3.3Å; V208-R212 WeakPolarHBondContact O-CG 3.48Å; V208-R212 PolarHBondContact O-N 3.35Å |
| 209 | L | 92.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.3 | -64.8 | 177.4 | 0 | 0 | 0 | 110.9 | L182 F205 G206 S211 R212 T213 Y225 | L182-L209 HydrophobicContact CD1-CD2 3.67Å; F205-L209 HydrophobicContact CD1-CD1 4.21Å; F205-L209 HydrophobicContact CD1-CG 4.44Å; F205-L209 HydrophobicContact CE1-CD1 3.91Å; F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CE1-CG 4.08Å; F205-L209 HydrophobicContact CZ-CD2 4.06Å; F205-L209 HydrophobicContact CZ-CG 4.32Å; F205-L209 PolarHBondContact O-N 3.4Å; F205-L209 VanDerWaalsContact O-N 3.1Å; G206-L209 WeakPolarHBondContact O-CB 3.4Å; G206-L209 PolarHBondContact O-N 2.98Å; G206-L209 VanDerWaalsContact O-N 3.08Å; L209-S211 VanDerWaalsContact C-N 3.32Å; L209-S211 PolarHBondContact O-N 2.94Å; L209-R212 PolarHBondContact O-N 3.04Å; L209-T213 WeakPolarHBondContact O-CB 3.36Å; L209-T213 PolarHBondContact O-N 2.86Å; L209-T213 PolarHBondContact O-OG1 3.45Å; L209-Y225 HydrophobicContact CD1-CD2 4.29Å; L209-Y225 HydrophobicContact CD1-CG 3.98Å |
| 210 | E | 91.9 | Very high | 88.7 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 178.2 | -66.2 | -63.6 | 155.9 | 0 | 0 | 112.6 | G206 H218 | G206-E210 WeakPolarHBondContact O-CG 3.34Å; G206-E210 PolarHBondContact O-N 3.2Å; E210-H218 IonicContact OE2-CE1 2.69Å; E210-H218 PolarHBondContact OE2-CE1 3.42Å; E210-H218 IonicContact OE2-NE2 3.88Å |
| 211 | S | 89.9 | Confident | 89.4 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -86 | -18.4 | -175.8 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | E207 V208 L209 | E207-S211 WeakPolarHBondContact O-CB 3.36Å; E207-S211 PolarHBondContact O-N 3.4Å; E207-S211 PolarHBondContact O-OG 3.24Å; V208-S211 PolarHBondContact O-N 2.93Å; V208-S211 PolarHBondContact O-OG 3.05Å; L209-S211 VanDerWaalsContact C-N 3.32Å; L209-S211 PolarHBondContact O-N 2.94Å |
| 212 | R | 91.2 | Very high | 90.5 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -116.9 | -2.1 | -170.6 | -59.7 | -59.6 | -162.9 | 176.6 | 7.4 | 114.8 | L168 V174 G175 L178 V208 L209 | L168-R212 HydrophobicContact CD2-CB 4.4Å; L168-R212 HydrophobicContact CD2-CG 3.92Å; V174-R212 HydrophobicContact CG1-CB 4.01Å; G175-R212 PolarHBondContact N-O 2.85Å; L178-R212 HydrophobicContact CD1-CB 4.08Å; V208-R212 HydrophobicContact CG1-CG 4.22Å; V208-R212 VanDerWaalsContact O-CB 3.22Å; V208-R212 WeakPolarHBondContact O-CB 3.49Å; V208-R212 VanDerWaalsContact O-CG 3.3Å; V208-R212 WeakPolarHBondContact O-CG 3.48Å; V208-R212 PolarHBondContact O-N 3.35Å; L209-R212 PolarHBondContact O-N 3.04Å |
| 213 | T | 92.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | trans | -126.2 | 152 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | L178 L209 H218 L221 | L178-T213 HydrophobicContact CD1-CG2 3.89Å; L209-T213 WeakPolarHBondContact O-CB 3.36Å; L209-T213 PolarHBondContact O-N 2.86Å; L209-T213 PolarHBondContact O-OG1 3.45Å; T213-H218 PolarHBondContact O-ND1 2.99Å; T213-H218 WeakPolarHBondContact OG1-CB 3.24Å; T213-H218 PolarHBondContact OG1-ND1 3.41Å; T213-L221 HydrophobicContact CG2-CD1 3.8Å | ||
| 214 | S | 92.2 | Very high | 92.8 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | trans | -144 | 167.8 | 175.2 | 63.4 | 0 | 0 | 0 | 0 | 112 | H218 | S214-H218 VanDerWaalsContact C-CB 3.41Å; S214-H218 PolarHBondContact O-N 3.19Å | ||
| 215 | G | 94.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 41.9 Ų | 41.9 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | 65 | -149.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L217 H218 N219 | G215-L217 VanDerWaalsContact C-N 3.31Å; G215-L217 PolarHBondContact O-N 3.19Å; G215-H218 WeakPolarHBondContact O-CB 3.41Å; G215-H218 PolarHBondContact O-N 3.29Å; G215-N219 PolarHBondContact O-N 2.86Å |
| 216 | Q | 95.3 | Very high | 93.6 | Very high | 86 Ų | 86 | 45 Ų | 45 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | -176.3 | -72.5 | -179.3 | -20.1 | 0 | 0 | 113.2 | L80 F118 V122 N219 I220 | L80-Q216 HydrophobicContact CD2-CB 3.46Å; L80-Q216 VanDerWaalsContact CD2-CB 3.46Å; L80-Q216 HydrophobicContact CD2-CG 3.6Å; F118-Q216 PolarHBondContact O-OE1 3.38Å; V122-Q216 HydrophobicContact CG2-CB 3.86Å; Q216-N219 PolarHBondContact O-N 2.96Å; Q216-I220 WeakPolarHBondContact O-CG1 3.46Å; Q216-I220 PolarHBondContact O-N 3.49Å |
| 217 | L | 92.7 | Very high | 94 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -38.4 | 179.5 | -176.3 | 59.4 | 0 | 0 | 0 | 111.9 | T125 G175 Q176 G215 N219 I220 L221 | T125-L217 HydrophobicContact CG2-CD1 3.76Å; G175-L217 VanDerWaalsContact O-CD2 3.23Å; G175-L217 WeakPolarHBondContact O-CD2 3.46Å; Q176-L217 HydrophobicContact CB-CD2 4.42Å; G215-L217 VanDerWaalsContact C-N 3.31Å; G215-L217 PolarHBondContact O-N 3.19Å; L217-N219 VanDerWaalsContact C-N 3.34Å; L217-I220 PolarHBondContact O-N 3.31Å; L217-L221 HydrophobicContact CD1-CD1 4.36Å; L217-L221 HydrophobicContact CD1-CG 4.32Å; L217-L221 HydrophobicContact CG-CD1 4.05Å; L217-L221 HydrophobicContact CG-CG 4.44Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 2.83Å |
| 218 | H | 94.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 170.7 | 166.9 | 91.3 | 0 | 0 | 0 | 111.4 | E210 T213 S214 G215 I220 L221 V222 | E210-H218 IonicContact OE2-CE1 2.69Å; E210-H218 PolarHBondContact OE2-CE1 3.42Å; E210-H218 IonicContact OE2-NE2 3.88Å; T213-H218 PolarHBondContact O-ND1 2.99Å; T213-H218 WeakPolarHBondContact OG1-CB 3.24Å; T213-H218 PolarHBondContact OG1-ND1 3.41Å; S214-H218 VanDerWaalsContact C-CB 3.41Å; S214-H218 PolarHBondContact O-N 3.19Å; G215-H218 WeakPolarHBondContact O-CB 3.41Å; G215-H218 PolarHBondContact O-N 3.29Å; H218-I220 VanDerWaalsContact C-N 3.27Å; H218-I220 PolarHBondContact O-N 2.82Å; H218-L221 PolarHBondContact O-N 2.82Å; H218-L221 VanDerWaalsContact O-N 3.14Å; H218-V222 WeakPolarHBondContact O-CB 3.42Å; H218-V222 WeakPolarHBondContact O-CG2 3.38Å; H218-V222 PolarHBondContact O-N 2.65Å |
| 219 | N | 96.1 | Very high | 94.5 | Very high | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.7 | -40.9 | -179.7 | -65.4 | -13.9 | 0 | 0 | 0 | 112.2 | G215 Q216 L217 A223 | G215-N219 PolarHBondContact O-N 2.86Å; Q216-N219 PolarHBondContact O-N 2.96Å; L217-N219 VanDerWaalsContact C-N 3.34Å; N219-A223 VanDerWaalsContact O-CB 3.24Å; N219-A223 WeakPolarHBondContact O-CB 3.39Å; N219-A223 PolarHBondContact O-N 3.38Å |
| 220 | I | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -46 | 177.9 | -63.7 | 163 | 0 | 0 | 0 | 111.2 | L80 T84 V122 T125 L126 I129 Q216 L217 H218 A223 M224 | L80-I220 HydrophobicContact CD1-CD1 4.29Å; L80-I220 HydrophobicContact CD1-CG1 4.39Å; L80-I220 HydrophobicContact CD2-CD1 4.34Å; L80-I220 HydrophobicContact CD2-CG1 4.32Å; L80-I220 HydrophobicContact CG-CG1 4.49Å; T84-I220 HydrophobicContact CG2-CG1 4.44Å; T84-I220 HydrophobicContact CG2-CG2 4.36Å; V122-I220 HydrophobicContact CB-CD1 4.31Å; V122-I220 HydrophobicContact CG1-CD1 3.77Å; V122-I220 HydrophobicContact CG2-CD1 4.11Å; T125-I220 HydrophobicContact CG2-CG2 4.13Å; L126-I220 HydrophobicContact CD2-CD1 4.33Å; L126-I220 HydrophobicContact CD2-CG1 4.32Å; L126-I220 HydrophobicContact CD2-CG2 3.97Å; L126-I220 HydrophobicContact CG-CD1 4.2Å; I129-I220 HydrophobicContact CD1-CG2 3.66Å; Q216-I220 WeakPolarHBondContact O-CG1 3.46Å; Q216-I220 PolarHBondContact O-N 3.49Å; L217-I220 PolarHBondContact O-N 3.31Å; H218-I220 VanDerWaalsContact C-N 3.27Å; H218-I220 PolarHBondContact O-N 2.82Å; I220-A223 PolarHBondContact O-N 3.35Å; I220-M224 WeakPolarHBondContact O-CB 3.49Å; I220-M224 PolarHBondContact O-N 3.2Å |
| 221 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | -178.4 | -71.1 | 174.6 | 0 | 0 | 0 | 112.3 | L178 L182 T213 L217 H218 M224 Y225 | L178-L221 HydrophobicContact CB-CD1 4.45Å; L182-L221 HydrophobicContact CB-CD2 3.95Å; L182-L221 HydrophobicContact CD1-CD2 3.96Å; T213-L221 HydrophobicContact CG2-CD1 3.8Å; L217-L221 HydrophobicContact CD1-CD1 4.36Å; L217-L221 HydrophobicContact CD1-CG 4.32Å; L217-L221 HydrophobicContact CG-CD1 4.05Å; L217-L221 HydrophobicContact CG-CG 4.44Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 2.83Å; H218-L221 PolarHBondContact O-N 2.82Å; H218-L221 VanDerWaalsContact O-N 3.14Å; L221-M224 PolarHBondContact O-N 2.86Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 2.84Å |
| 222 | V | 96.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | H218 Y225 N226 | H218-V222 WeakPolarHBondContact O-CB 3.42Å; H218-V222 WeakPolarHBondContact O-CG2 3.38Å; H218-V222 PolarHBondContact O-N 2.65Å; V222-Y225 PolarHBondContact O-N 2.64Å; V222-N226 WeakPolarHBondContact CG1-ND2 3.32Å; V222-N226 WeakPolarHBondContact O-CB 3.47Å; V222-N226 PolarHBondContact O-N 3.43Å; V222-N226 PolarHBondContact O-ND2 2.97Å |
| 223 | A | 97.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T84 I88 N219 I220 Y225 N226 Y227 Y234 | T84-A223 HydrophobicContact CG2-CB 3.92Å; I88-A223 HydrophobicContact CD1-CB 4.34Å; N219-A223 VanDerWaalsContact O-CB 3.24Å; N219-A223 WeakPolarHBondContact O-CB 3.39Å; N219-A223 PolarHBondContact O-N 3.38Å; I220-A223 PolarHBondContact O-N 3.35Å; A223-Y225 PolarHBondContact O-N 3.05Å; A223-N226 PolarHBondContact O-N 3.49Å; A223-Y227 WeakPolarHBondContact O-CB 3.4Å; A223-Y227 PolarHBondContact O-N 3.18Å; A223-Y234 HydrophobicContact CB-CE2 3.94Å |
| 224 | M | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.4 | -177.7 | 177.9 | 177.8 | 0 | 0 | 112.2 | I129 L182 L185 F190 I220 L221 S228 | I129-M224 HydrophobicContact CD1-SD 3.86Å; I129-M224 HydrophobicContact CG1-CE 4.46Å; I129-M224 HydrophobicContact CG1-SD 3.93Å; L182-M224 WeakPolarHBondContact O-CE 3.42Å; L185-M224 WeakPolarHBondContact O-CE 3.21Å; F190-M224 HydrophobicContact CD2-CE 3.33Å; F190-M224 HydrophobicContact CD2-CG 4.02Å; F190-M224 HydrophobicContact CD2-SD 4.13Å; F190-M224 HydrophobicContact CE2-CE 3.49Å; F190-M224 VanDerWaalsContact CE2-CE 3.49Å; F190-M224 HydrophobicContact CE2-CG 3.79Å; F190-M224 HydrophobicContact CE2-SD 3.73Å; I220-M224 WeakPolarHBondContact O-CB 3.49Å; I220-M224 PolarHBondContact O-N 3.2Å; L221-M224 PolarHBondContact O-N 2.86Å; M224-S228 VanDerWaalsContact O-CB 3.29Å; M224-S228 WeakPolarHBondContact O-CB 3.25Å; M224-S228 PolarHBondContact O-N 2.84Å; M224-S228 PolarHBondContact O-OG 2.99Å |
| 225 | Y | 96.2 | Very high | 95.6 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 14% | 0.137 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -56.5 | 174.6 | 171.7 | -105.4 | 0 | 0 | 0 | 111.2 | F190 N194 F205 L209 L221 V222 A223 Y227 S228 I229 | F190-Y225 HydrophobicContact CD1-CD2 4.48Å; F190-Y225 AromaticContact CE1-CD2 3.83Å; F190-Y225 HydrophobicContact CE1-CD2 3.83Å; N194-Y225 HydrophobicContact CB-CE2 4.42Å; F205-Y225 HydrophobicContact CB-CE2 4.41Å; F205-Y225 HydrophobicContact CD1-CD2 4.04Å; F205-Y225 HydrophobicContact CD1-CE2 4.18Å; L209-Y225 HydrophobicContact CD1-CD2 4.29Å; L209-Y225 HydrophobicContact CD1-CG 3.98Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 2.84Å; V222-Y225 PolarHBondContact O-N 2.64Å; A223-Y225 PolarHBondContact O-N 3.05Å; Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 3.04Å; Y225-S228 PolarHBondContact O-N 3.35Å; Y225-S228 VanDerWaalsContact O-N 3.09Å; Y225-I229 HydrophobicContact CD2-CD1 4.31Å; Y225-I229 HydrophobicContact CD2-CG1 3.77Å; Y225-I229 HydrophobicContact CE1-CG1 4.35Å; Y225-I229 HydrophobicContact CE2-CD1 4.08Å; Y225-I229 HydrophobicContact CE2-CG1 3.49Å; Y225-I229 VanDerWaalsContact CE2-CG1 3.49Å; Y225-I229 HydrophobicContact CG-CG1 4.34Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.28Å; Y225-I229 PolarHBondContact O-N 3.32Å |
| 226 | N | 96.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 27.8 Ų | 27.8 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.5 | -43.2 | -176.4 | -72.9 | -33.4 | 0 | 0 | 0 | 112 | V222 A223 S228 I229 N230 Y234 | V222-N226 WeakPolarHBondContact CG1-ND2 3.32Å; V222-N226 WeakPolarHBondContact O-CB 3.47Å; V222-N226 PolarHBondContact O-N 3.43Å; V222-N226 PolarHBondContact O-ND2 2.97Å; A223-N226 PolarHBondContact O-N 3.49Å; N226-S228 PolarHBondContact O-N 3.22Å; N226-I229 PolarHBondContact O-N 3.02Å; N226-N230 CarbonylContact O-C 3.39Å; N226-N230 PolarHBondContact O-N 3.35Å; N226-Y234 HydrophobicContact CB-CD2 3.8Å; N226-Y234 HydrophobicContact CB-CG 4.42Å |
| 227 | Y | 96.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 173.4 | -178.6 | -83.8 | 0 | 0 | 0 | 111.6 | I88 D89 P187 A223 Y225 I229 K231 Y234 F235 | I88-Y227 HydrophobicContact CD1-CD2 3.79Å; I88-Y227 HydrophobicContact CD1-CG 3.85Å; I88-Y227 HydrophobicContact CG1-CD2 3.89Å; I88-Y227 HydrophobicContact CG1-CE2 4.23Å; I88-Y227 HydrophobicContact CG1-CG 4.22Å; I88-Y227 VanDerWaalsContact O-CZ 3.29Å; I88-Y227 PolarHBondContact O-OH 3.44Å; D89-Y227 WeakPolarHBondContact CA-OH 3.43Å; D89-Y227 HydrophobicContact CB-CE2 4.19Å; D89-Y227 WeakPolarHBondContact OD1-CE2 3.44Å; D89-Y227 PolarHBondContact OD1-OH 3.2Å; P187-Y227 HydrophobicContact CB-CD1 4.47Å; P187-Y227 HydrophobicContact CB-CE1 4.34Å; P187-Y227 HydrophobicContact CG-CD1 4.16Å; P187-Y227 HydrophobicContact CG-CE1 3.85Å; A223-Y227 WeakPolarHBondContact O-CB 3.4Å; A223-Y227 PolarHBondContact O-N 3.18Å; Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 3.04Å; Y227-I229 PolarHBondContact O-N 3.38Å; Y227-K231 HydrophobicContact CD2-CG 4.28Å; Y227-K231 HydrophobicContact CE1-CD 4.3Å; Y227-K231 HydrophobicContact CE2-CD 3.8Å; Y227-K231 HydrophobicContact CE2-CG 3.94Å; Y227-K231 WeakPolarHBondContact O-CA 3.2Å; Y227-K231 WeakPolarHBondContact O-CB 3.14Å; Y227-K231 PolarHBondContact O-N 2.89Å; Y227-K231 VanDerWaalsContact O-N 3.11Å; Y227-K231 PolarHBondContact OH-NZ 2.99Å; Y227-Y234 AromaticContact CD2-CD1 3.85Å; Y227-Y234 HydrophobicContact CD2-CD1 3.85Å; Y227-Y234 HydrophobicContact CD2-CE1 4.01Å; Y227-F235 HydrophobicContact CD2-CE2 4.19Å; Y227-F235 AromaticContact CE2-CE2 3.87Å; Y227-F235 HydrophobicContact CE2-CE2 3.87Å; Y227-F235 HydrophobicContact CE2-CZ 4.2Å |
| 228 | S | 95 | Very high | 96 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.9 | -29.4 | -176 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | P187 M224 Y225 N226 | P187-S228 WeakPolarHBondContact CA-OG 3.45Å; M224-S228 VanDerWaalsContact O-CB 3.29Å; M224-S228 WeakPolarHBondContact O-CB 3.25Å; M224-S228 PolarHBondContact O-N 2.84Å; M224-S228 PolarHBondContact O-OG 2.99Å; Y225-S228 PolarHBondContact O-N 3.35Å; Y225-S228 VanDerWaalsContact O-N 3.09Å; N226-S228 PolarHBondContact O-N 3.22Å |
| 229 | I | 93.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 23% | 0.231 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -84.8 | -42.9 | -178.7 | -59.7 | -36.2 | 0 | 0 | 0 | 111.7 | Q191 N194 Y225 N226 Y227 | Q191-I229 HydrophobicContact CG-CD1 4.34Å; N194-I229 HydrophobicContact CB-CD1 3.52Å; N194-I229 WeakPolarHBondContact ND2-CD1 3.43Å; N194-I229 WeakPolarHBondContact ND2-CG1 3.3Å; Y225-I229 HydrophobicContact CD2-CD1 4.31Å; Y225-I229 HydrophobicContact CD2-CG1 3.77Å; Y225-I229 HydrophobicContact CE1-CG1 4.35Å; Y225-I229 HydrophobicContact CE2-CD1 4.08Å; Y225-I229 HydrophobicContact CE2-CG1 3.49Å; Y225-I229 VanDerWaalsContact CE2-CG1 3.49Å; Y225-I229 HydrophobicContact CG-CG1 4.34Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.28Å; Y225-I229 PolarHBondContact O-N 3.32Å; N226-I229 PolarHBondContact O-N 3.02Å; Y227-I229 PolarHBondContact O-N 3.38Å |
| 230 | N | 93.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 20.3 Ų | 20.3 | 32% | 0.321 | 11% | 0.106 | S | C | . | . | trans | -155 | 82 | -179.2 | -170.7 | -20.8 | 0 | 0 | 0 | 110 | N226 P232 M233 Y234 | N226-N230 CarbonylContact O-C 3.39Å; N226-N230 PolarHBondContact O-N 3.35Å; N230-P232 WeakPolarHBondContact OD1-CD 3.49Å; N230-M233 HydrophobicContact CB-CB 3.86Å; N230-M233 WeakPolarHBondContact ND2-CB 3.43Å; N230-M233 PolarHBondContact O-N 3.15Å; N230-M233 VanDerWaalsContact O-N 3.12Å; N230-M233 WeakPolarHBondContact OD1-CB 3.3Å; N230-M233 PolarHBondContact OD1-N 3.2Å; N230-M233 VanDerWaalsContact OD1-N 3.07Å; N230-Y234 PolarHBondContact O-N 2.64Å | ||
| 231 | K | 94.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -50.2 | -49.1 | 179.1 | 170.3 | 172.5 | 170.5 | 163.8 | 0 | 112.9 | D89 Y227 M233 Y234 F235 Q310 | D89-K231 WeakPolarHBondContact OD1-CE 3.41Å; D89-K231 IonicContact OD1-NZ 3.8Å; D89-K231 PolarHBondContact OD1-NZ 2.7Å; Y227-K231 HydrophobicContact CD2-CG 4.28Å; Y227-K231 HydrophobicContact CE1-CD 4.3Å; Y227-K231 HydrophobicContact CE2-CD 3.8Å; Y227-K231 HydrophobicContact CE2-CG 3.94Å; Y227-K231 WeakPolarHBondContact O-CA 3.2Å; Y227-K231 WeakPolarHBondContact O-CB 3.14Å; Y227-K231 PolarHBondContact O-N 2.89Å; Y227-K231 VanDerWaalsContact O-N 3.11Å; Y227-K231 PolarHBondContact OH-NZ 2.99Å; K231-M233 PolarHBondContact O-N 3.37Å; K231-Y234 WeakPolarHBondContact O-CB 3.35Å; K231-Y234 PolarHBondContact O-N 3.04Å; K231-F235 HydrophobicContact CD-CE2 4.44Å; K231-F235 HydrophobicContact CG-CD2 3.95Å; K231-F235 HydrophobicContact CG-CE2 3.83Å; K231-F235 WeakPolarHBondContact O-CD2 3.46Å; K231-F235 PolarHBondContact O-N 3.37Å; K231-F235 VanDerWaalsContact O-N 3.08Å; K231-Q310 VanDerWaalsContact CD-OE1 3.26Å; K231-Q310 PolarHBondContact NZ-O 3.03Å |
| 232 | P | 94.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 12% | 0.117 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.4 | -25.3 | 34.6 | 0 | 0 | 0 | 113.8 | N230 Y234 F235 A236 T267 I268 M271 | N230-P232 WeakPolarHBondContact OD1-CD 3.49Å; P232-Y234 VanDerWaalsContact C-N 3.34Å; P232-Y234 PolarHBondContact O-N 3.2Å; P232-F235 PolarHBondContact O-N 3.34Å; P232-A236 WeakPolarHBondContact O-CB 3.43Å; P232-A236 PolarHBondContact O-N 3.14Å; P232-T267 HydrophobicContact CB-CG2 3.74Å; P232-T267 HydrophobicContact CG-CG2 3.68Å; P232-I268 HydrophobicContact CB-CG1 4Å; P232-M271 HydrophobicContact CB-CG 3.9Å |
| 233 | M | 96.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 22.4 Ų | 22.4 | 21% | 0.207 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 175.7 | -174.7 | 63.7 | 76.6 | 0 | 0 | 112.6 | N230 K231 A236 T237 M271 K275 | N230-M233 HydrophobicContact CB-CB 3.86Å; N230-M233 WeakPolarHBondContact ND2-CB 3.43Å; N230-M233 PolarHBondContact O-N 3.15Å; N230-M233 VanDerWaalsContact O-N 3.12Å; N230-M233 WeakPolarHBondContact OD1-CB 3.3Å; N230-M233 PolarHBondContact OD1-N 3.2Å; N230-M233 VanDerWaalsContact OD1-N 3.07Å; K231-M233 PolarHBondContact O-N 3.37Å; M233-A236 PolarHBondContact O-N 2.86Å; M233-T237 WeakPolarHBondContact O-CB 3.25Å; M233-T237 PolarHBondContact O-N 2.84Å; M233-T237 PolarHBondContact O-OG1 3.14Å; M233-M271 HydrophobicContact CB-CB 4.42Å; M233-M271 HydrophobicContact CE-CB 3.9Å; M233-M271 HydrophobicContact CE-CG 4.33Å; M233-M271 HydrophobicContact CE-SD 3.9Å; M233-M271 HydrophobicContact SD-CB 4.14Å; M233-K275 HydrophobicContact CE-CB 3.99Å; M233-K275 HydrophobicContact CG-CD 4.36Å; M233-K275 HydrophobicContact SD-CB 3.61Å; M233-K275 HydrophobicContact SD-CD 3.4Å; M233-K275 WeakPolarHBondContact SD-CD 3.19Å; M233-K275 HydrophobicContact SD-CG 4.08Å |
| 234 | Y | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 174 | 168.4 | -106.3 | 0 | 0 | 0 | 110.6 | S85 I88 A223 N226 Y227 N230 K231 P232 A236 T237 L238 | S85-Y234 WeakPolarHBondContact CA-OH 3.48Å; S85-Y234 VanDerWaalsContact CB-OH 3.31Å; S85-Y234 WeakPolarHBondContact CB-OH 3.43Å; I88-Y234 HydrophobicContact CD1-CE1 4.03Å; A223-Y234 HydrophobicContact CB-CE2 3.94Å; N226-Y234 HydrophobicContact CB-CD2 3.8Å; N226-Y234 HydrophobicContact CB-CG 4.42Å; Y227-Y234 AromaticContact CD2-CD1 3.85Å; Y227-Y234 HydrophobicContact CD2-CD1 3.85Å; Y227-Y234 HydrophobicContact CD2-CE1 4.01Å; N230-Y234 PolarHBondContact O-N 2.64Å; K231-Y234 WeakPolarHBondContact O-CB 3.35Å; K231-Y234 PolarHBondContact O-N 3.04Å; P232-Y234 VanDerWaalsContact C-N 3.34Å; P232-Y234 PolarHBondContact O-N 3.2Å; Y234-A236 PolarHBondContact O-N 3.18Å; Y234-T237 WeakPolarHBondContact O-CB 3.33Å; Y234-T237 PolarHBondContact O-N 3.23Å; Y234-T237 VanDerWaalsContact O-N 3.13Å; Y234-L238 HydrophobicContact CD1-CD1 4.25Å; Y234-L238 HydrophobicContact CE1-CD1 3.61Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD1 4.39Å; Y234-L238 HydrophobicContact CE2-CD2 4.1Å; Y234-L238 HydrophobicContact CE2-CG 4.28Å; Y234-L238 WeakPolarHBondContact O-CG 3.43Å; Y234-L238 PolarHBondContact O-N 3Å |
| 235 | F | 97.2 | Very high | 96 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 177.3 | -76.3 | -70.7 | 0 | 0 | 0 | 113 | D89 Y227 K231 P232 T237 L238 I239 F256 R260 I268 | D89-F235 HydrophobicContact CB-CZ 4.17Å; Y227-F235 HydrophobicContact CD2-CE2 4.19Å; Y227-F235 AromaticContact CE2-CE2 3.87Å; Y227-F235 HydrophobicContact CE2-CE2 3.87Å; Y227-F235 HydrophobicContact CE2-CZ 4.2Å; K231-F235 HydrophobicContact CD-CE2 4.44Å; K231-F235 HydrophobicContact CG-CD2 3.95Å; K231-F235 HydrophobicContact CG-CE2 3.83Å; K231-F235 WeakPolarHBondContact O-CD2 3.46Å; K231-F235 PolarHBondContact O-N 3.37Å; K231-F235 VanDerWaalsContact O-N 3.08Å; P232-F235 PolarHBondContact O-N 3.34Å; F235-T237 PolarHBondContact O-N 3.13Å; F235-L238 HydrophobicContact CD1-CD1 3.8Å; F235-L238 HydrophobicContact CE1-CD1 4.07Å; F235-L238 PolarHBondContact O-N 3.48Å; F235-L238 VanDerWaalsContact O-N 3.15Å; F235-I239 VanDerWaalsContact O-CG1 3.31Å; F235-I239 WeakPolarHBondContact O-CG1 3.37Å; F235-I239 PolarHBondContact O-N 3.48Å; F235-F256 HydrophobicContact CD1-CE1 4.26Å; F235-F256 HydrophobicContact CE1-CE1 4.25Å; F235-R260 VanDerWaalsContact CE2-CZ 3.46Å; F235-I268 HydrophobicContact CB-CD1 3.51Å; F235-I268 HydrophobicContact CB-CG1 4.08Å; F235-I268 HydrophobicContact CG-CD1 4.21Å |
| 236 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -39.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | P232 M233 Y234 H240 I268 M271 Y272 | P232-A236 WeakPolarHBondContact O-CB 3.43Å; P232-A236 PolarHBondContact O-N 3.14Å; M233-A236 PolarHBondContact O-N 2.86Å; Y234-A236 PolarHBondContact O-N 3.18Å; A236-H240 VanDerWaalsContact O-CB 3.3Å; A236-H240 WeakPolarHBondContact O-CB 3.39Å; A236-H240 PolarHBondContact O-N 3.15Å; A236-I268 HydrophobicContact CB-CG2 4.05Å; A236-M271 HydrophobicContact CB-CB 4.36Å; A236-Y272 HydrophobicContact CB-CD2 4.05Å; A236-Y272 HydrophobicContact CB-CG 4.49Å; A236-Y272 WeakPolarHBondContact O-CD2 3.34Å |
| 237 | T | 97.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | R81 M233 Y234 F235 D241 K275 Y276 | R81-T237 PolarHBondContact NH2-O 3.37Å; M233-T237 WeakPolarHBondContact O-CB 3.25Å; M233-T237 PolarHBondContact O-N 2.84Å; M233-T237 PolarHBondContact O-OG1 3.14Å; Y234-T237 WeakPolarHBondContact O-CB 3.33Å; Y234-T237 PolarHBondContact O-N 3.23Å; Y234-T237 VanDerWaalsContact O-N 3.13Å; F235-T237 PolarHBondContact O-N 3.13Å; T237-D241 WeakPolarHBondContact O-CB 3.36Å; T237-D241 PolarHBondContact O-N 3.42Å; T237-K275 PolarHBondContact OG1-NZ 3.37Å; T237-Y276 WeakPolarHBondContact CA-OH 3.42Å; T237-Y276 WeakPolarHBondContact CG2-OH 3.37Å |
| 238 | L | 97.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.2 | -64.5 | -176 | 0 | 0 | 0 | 111.5 | R81 Y234 F235 D241 E242 F256 | R81-L238 HydrophobicContact CG-CD2 3.99Å; Y234-L238 HydrophobicContact CD1-CD1 4.25Å; Y234-L238 HydrophobicContact CE1-CD1 3.61Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD1 4.39Å; Y234-L238 HydrophobicContact CE2-CD2 4.1Å; Y234-L238 HydrophobicContact CE2-CG 4.28Å; Y234-L238 WeakPolarHBondContact O-CG 3.43Å; Y234-L238 PolarHBondContact O-N 3Å; F235-L238 HydrophobicContact CD1-CD1 3.8Å; F235-L238 HydrophobicContact CE1-CD1 4.07Å; F235-L238 PolarHBondContact O-N 3.48Å; F235-L238 VanDerWaalsContact O-N 3.15Å; L238-D241 PolarHBondContact O-N 3.26Å; L238-E242 PolarHBondContact O-N 3.14Å; L238-E242 VanDerWaalsContact O-N 3.13Å; L238-F256 HydrophobicContact CD1-CE1 4.18Å; L238-F256 HydrophobicContact CD1-CZ 4.23Å |
| 239 | I | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -178.3 | -66.2 | 163.7 | 0 | 0 | 0 | 110.6 | F235 D241 E242 L243 F256 I268 Y272 L280 | F235-I239 VanDerWaalsContact O-CG1 3.31Å; F235-I239 WeakPolarHBondContact O-CG1 3.37Å; F235-I239 PolarHBondContact O-N 3.48Å; I239-D241 PolarHBondContact O-N 2.51Å; I239-E242 PolarHBondContact O-N 3.33Å; I239-L243 HydrophobicContact CG2-CD1 3.62Å; I239-L243 HydrophobicContact CG2-CG 4.36Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 2.98Å; I239-F256 HydrophobicContact CG1-CB 4.32Å; I239-I268 HydrophobicContact CD1-CG2 3.87Å; I239-Y272 HydrophobicContact CG2-CE2 4.25Å; I239-L280 HydrophobicContact CD1-CD2 4.42Å; I239-L280 HydrophobicContact CG2-CD1 3.44Å; I239-L280 VanDerWaalsContact CG2-CD1 3.44Å; I239-L280 HydrophobicContact CG2-CD2 4.34Å |
| 240 | H | 97.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.4 | 173.8 | -83.1 | 0 | 0 | 0 | 111.4 | A236 E242 L243 H244 Y272 Y276 | A236-H240 VanDerWaalsContact O-CB 3.3Å; A236-H240 WeakPolarHBondContact O-CB 3.39Å; A236-H240 PolarHBondContact O-N 3.15Å; H240-E242 VanDerWaalsContact C-N 3.27Å; H240-E242 PolarHBondContact O-N 3.24Å; H240-L243 PolarHBondContact O-N 3.01Å; H240-H244 AromaticContact CD2-CE1 3.46Å; H240-H244 PolarHBondContact CD2-CE1 2.9Å; H240-H244 VanDerWaalsContact CD2-CE1 3.46Å; H240-H244 AromaticContact CD2-ND1 3.56Å; H240-H244 AromaticContact CE1-CE1 3.98Å; H240-H244 AromaticContact CE1-CG 3.94Å; H240-H244 AromaticContact CE1-ND1 3.64Å; H240-H244 AromaticContact CG-ND1 3.86Å; H240-H244 AromaticContact ND1-ND1 3.92Å; H240-H244 AromaticContact NE2-CE1 3.33Å; H240-H244 PolarHBondContact NE2-CE1 2.8Å; H240-H244 VanDerWaalsContact NE2-CE1 3.33Å; H240-H244 AromaticContact NE2-CG 4Å; H240-H244 AromaticContact NE2-ND1 3.45Å; H240-H244 PolarHBondContact NE2-ND1 2.76Å; H240-H244 AromaticContact NE2-NE2 3.88Å; H240-H244 PolarHBondContact O-N 2.89Å; H240-H244 VanDerWaalsContact O-N 3.14Å; H240-H244 PolarHBondContact O-ND1 3.47Å; H240-Y272 WeakPolarHBondContact CA-OH 3.43Å; H240-Y272 HydrophobicContact CB-CD2 4.39Å; H240-Y272 HydrophobicContact CB-CE2 3.49Å; H240-Y272 VanDerWaalsContact CB-CE2 3.49Å; H240-Y272 AromaticContact CD2-CZ 3.8Å; H240-Y272 PolarHBondContact CD2-OH 3.33Å; H240-Y276 HydrophobicContact CB-CD2 3.99Å; H240-Y276 HydrophobicContact CB-CE1 4.15Å; H240-Y276 HydrophobicContact CB-CE2 3.4Å; H240-Y276 VanDerWaalsContact CB-CE2 3.4Å; H240-Y276 VanDerWaalsContact CB-CZ 3.48Å; H240-Y276 AromaticContact CD2-CD1 3.34Å; H240-Y276 WeakPolarHBondContact CD2-CD1 3.47Å; H240-Y276 AromaticContact CD2-CD2 3.63Å; H240-Y276 AromaticContact CD2-CE1 3.49Å; H240-Y276 VanDerWaalsContact CD2-CE1 3.49Å; H240-Y276 WeakPolarHBondContact CD2-CE1 3.5Å; H240-Y276 AromaticContact CD2-CE2 3.81Å; H240-Y276 AromaticContact CD2-CG 3.4Å; H240-Y276 VanDerWaalsContact CD2-CG 3.4Å; H240-Y276 AromaticContact CD2-CZ 3.72Å; H240-Y276 AromaticContact CE1-CD1 3.85Å; H240-Y276 AromaticContact CE1-CE1 3.58Å; H240-Y276 AromaticContact CG-CD1 3.81Å; H240-Y276 AromaticContact CG-CD2 3.91Å; H240-Y276 AromaticContact CG-CE1 3.44Å; H240-Y276 VanDerWaalsContact CG-CE1 3.44Å; H240-Y276 AromaticContact CG-CE2 3.58Å; H240-Y276 AromaticContact CG-CZ 3.3Å; H240-Y276 AromaticContact ND1-CE1 3.48Å; H240-Y276 WeakPolarHBondContact ND1-CE1 3.46Å; H240-Y276 AromaticContact ND1-CZ 3.64Å; H240-Y276 AromaticContact NE2-CD1 3.36Å; H240-Y276 WeakPolarHBondContact NE2-CD1 3.41Å; H240-Y276 AromaticContact NE2-CE1 3.58Å; H240-Y276 AromaticContact NE2-CG 3.86Å |
| 241 | D | 96.2 | Very high | 95.5 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -37.4 | -176.5 | -68.7 | -1.6 | 0 | 0 | 0 | 110.9 | R81 T237 L238 I239 H244 K245 | R81-D241 IonicContact CZ-OD2 3.73Å; R81-D241 IonicContact NH1-OD2 3.72Å; R81-D241 PolarHBondContact NH1-OD2 2.9Å; R81-D241 IonicContact NH2-OD2 2.69Å; R81-D241 PolarHBondContact NH2-OD2 3.45Å; T237-D241 WeakPolarHBondContact O-CB 3.36Å; T237-D241 PolarHBondContact O-N 3.42Å; L238-D241 PolarHBondContact O-N 3.26Å; I239-D241 PolarHBondContact O-N 2.51Å; D241-H244 PolarHBondContact O-N 3.32Å; D241-K245 WeakPolarHBondContact O-CG 3.27Å; D241-K245 PolarHBondContact O-N 2.93Å |
| 242 | E | 95.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 175 | -164.9 | 61.5 | -134.1 | 0 | 0 | 112.5 | L238 I239 H240 H244 K245 D249 V253 | L238-E242 PolarHBondContact O-N 3.14Å; L238-E242 VanDerWaalsContact O-N 3.13Å; I239-E242 PolarHBondContact O-N 3.33Å; H240-E242 VanDerWaalsContact C-N 3.27Å; H240-E242 PolarHBondContact O-N 3.24Å; E242-H244 PolarHBondContact O-N 3.22Å; E242-H244 VanDerWaalsContact O-N 3.16Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K245 IonicContact OE1-NZ 3.16Å; E242-K245 WeakPolarHBondContact OE2-CE 3.46Å; E242-K245 IonicContact OE2-NZ 2.72Å; E242-K245 PolarHBondContact OE2-NZ 3.24Å; E242-D249 VanDerWaalsContact OE1-CB 3.3Å; E242-D249 WeakPolarHBondContact OE1-CB 3.31Å; E242-D249 PolarHBondContact OE1-N 3.41Å; E242-V253 HydrophobicContact CB-CG2 3.72Å; E242-V253 HydrophobicContact CG-CG2 3.17Å |
| 243 | L | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.2 | -11.2 | 178.7 | -74.2 | 168.8 | 0 | 0 | 0 | 114.3 | I239 H240 I248 V253 L280 D283 R286 I287 Y288 | I239-L243 HydrophobicContact CG2-CD1 3.62Å; I239-L243 HydrophobicContact CG2-CG 4.36Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 2.98Å; H240-L243 PolarHBondContact O-N 3.01Å; L243-I248 WeakPolarHBondContact O-CD1 3.28Å; L243-V253 HydrophobicContact CD2-CG1 3.82Å; L243-V253 HydrophobicContact CD2-CG2 4.38Å; L243-V253 HydrophobicContact CG-CG1 4.14Å; L243-V253 HydrophobicContact CG-CG2 4.45Å; L243-L280 HydrophobicContact CD1-CD1 3.66Å; L243-D283 HydrophobicContact CD1-CB 3.92Å; L243-R286 PolarHBondContact O-NH2 3.12Å; L243-R286 VanDerWaalsContact O-NH2 3.1Å; L243-I287 HydrophobicContact CD2-CB 4.1Å; L243-I287 HydrophobicContact CD2-CG1 3.61Å; L243-I287 HydrophobicContact CD2-CG2 4.4Å; L243-Y288 HydrophobicContact CD2-CE2 4.35Å |
| 244 | H | 95.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 6.9 | -178.8 | -68.5 | 84.6 | 0 | 0 | 0 | 113.7 | H240 D241 E242 D283 R286 | H240-H244 AromaticContact CD2-CE1 3.46Å; H240-H244 PolarHBondContact CD2-CE1 2.9Å; H240-H244 VanDerWaalsContact CD2-CE1 3.46Å; H240-H244 AromaticContact CD2-ND1 3.56Å; H240-H244 AromaticContact CE1-CE1 3.98Å; H240-H244 AromaticContact CE1-CG 3.94Å; H240-H244 AromaticContact CE1-ND1 3.64Å; H240-H244 AromaticContact CG-ND1 3.86Å; H240-H244 AromaticContact ND1-ND1 3.92Å; H240-H244 AromaticContact NE2-CE1 3.33Å; H240-H244 PolarHBondContact NE2-CE1 2.8Å; H240-H244 VanDerWaalsContact NE2-CE1 3.33Å; H240-H244 AromaticContact NE2-CG 4Å; H240-H244 AromaticContact NE2-ND1 3.45Å; H240-H244 PolarHBondContact NE2-ND1 2.76Å; H240-H244 AromaticContact NE2-NE2 3.88Å; H240-H244 PolarHBondContact O-N 2.89Å; H240-H244 VanDerWaalsContact O-N 3.14Å; H240-H244 PolarHBondContact O-ND1 3.47Å; D241-H244 PolarHBondContact O-N 3.32Å; E242-H244 PolarHBondContact O-N 3.22Å; E242-H244 VanDerWaalsContact O-N 3.16Å; H244-D283 IonicContact CE1-OD1 2.73Å; H244-D283 IonicContact CE1-OD2 3.98Å; H244-D283 PolarHBondContact CE1-OD2 2.99Å; H244-D283 VanDerWaalsContact CE1-OD2 3.32Å; H244-D283 IonicContact NE2-OD1 2.67Å; H244-R286 PolarHBondContact CD2-NH2 3.45Å; H244-R286 PolarHBondContact CE1-NH2 3.27Å; H244-R286 PolarHBondContact NE2-NH1 3.39Å; H244-R286 VanDerWaalsContact NE2-NH1 3.14Å; H244-R286 PolarHBondContact NE2-NH2 2.94Å |
| 245 | K | 94.6 | Very high | 95.2 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -66.5 | 153.3 | 167.5 | -80.5 | 170.3 | -173 | -178.7 | 0 | 110.5 | D241 E242 L247 I248 | D241-K245 WeakPolarHBondContact O-CG 3.27Å; D241-K245 PolarHBondContact O-N 2.93Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K245 IonicContact OE1-NZ 3.16Å; E242-K245 WeakPolarHBondContact OE2-CE 3.46Å; E242-K245 IonicContact OE2-NZ 2.72Å; E242-K245 PolarHBondContact OE2-NZ 3.24Å; K245-L247 VanDerWaalsContact C-N 3.31Å; K245-I248 VanDerWaalsContact O-CG1 3.3Å; K245-I248 WeakPolarHBondContact O-CG1 3.48Å |
| 246 | E | 93.4 | Very high | 95 | Very high | 194 Ų | 194 | 39.6 Ų | 39.6 | 91% | 0.907 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -60.8 | -42.5 | 171.3 | -176.5 | 178.6 | -172.5 | 0 | 0 | 111.4 | ||
| 247 | L | 93.8 | Very high | 94.9 | Very high | 149 Ų | 149 | 39.6 Ų | 39.6 | 78% | 0.78 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -112.8 | 102.5 | 172.4 | -62.2 | 178.3 | 0 | 0 | 0 | 109 | K245 | K245-L247 VanDerWaalsContact C-N 3.31Š|
| 248 | I | 94.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | trans | -82.4 | 127.2 | -177.2 | -56.6 | 175.8 | 0 | 0 | 0 | 109.7 | L243 K245 V250 V253 I287 | L243-I248 WeakPolarHBondContact O-CD1 3.28Å; K245-I248 VanDerWaalsContact O-CG1 3.3Å; K245-I248 WeakPolarHBondContact O-CG1 3.48Å; I248-V250 VanDerWaalsContact C-N 3.26Å; I248-V250 HydrophobicContact CB-CG2 4.44Å; I248-V250 HydrophobicContact CG2-CG2 4.21Å; I248-V250 PolarHBondContact O-N 3.34Å; I248-V253 HydrophobicContact CG2-CG2 4.32Å; I248-I287 HydrophobicContact CD1-CD1 3.35Å; I248-I287 HydrophobicContact CD1-CG1 3.92Å; I248-I287 HydrophobicContact CD1-CG2 4.24Å; I248-I287 HydrophobicContact CG2-CG2 4.35Å | ||
| 249 | D | 93.2 | Very high | 94.5 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | trans | -76.6 | 80.3 | 166.9 | 179.7 | 20 | 0 | 0 | 0 | 109.9 | R73 R82 E242 L251 G252 V253 | R73-D249 IonicContact NH1-OD1 3.49Å; R73-D249 IonicContact NH1-OD2 2.93Å; R73-D249 IonicContact NH2-OD1 3.16Å; R73-D249 PolarHBondContact NH2-OD1 3.3Å; R73-D249 IonicContact NH2-OD2 4Å; R82-D249 IonicContact CZ-OD2 2.75Å; R82-D249 IonicContact NH1-OD2 2.86Å; R82-D249 PolarHBondContact NH1-OD2 2.86Å; E242-D249 VanDerWaalsContact OE1-CB 3.3Å; E242-D249 WeakPolarHBondContact OE1-CB 3.31Å; E242-D249 PolarHBondContact OE1-N 3.41Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.35Å; D249-G252 CarbonylContact O-C 3.55Å; D249-G252 WeakPolarHBondContact O-CA 3.24Å; D249-G252 PolarHBondContact O-N 3.02Å; D249-G252 PolarHBondContact OD1-N 3.42Å; D249-G252 VanDerWaalsContact OD1-N 3.11Å; D249-G252 VanDerWaalsContact OD2-CA 3.24Å; D249-G252 WeakPolarHBondContact OD2-CA 3.45Å; D249-G252 PolarHBondContact OD2-N 2.88Å; D249-V253 PolarHBondContact O-N 3.06Å | ||
| 250 | V | 93.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 25% | 0.248 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.7 | -45.7 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | L51 I248 G252 V253 Q254 Y288 | L51-V250 HydrophobicContact CD1-CG1 3.68Å; L51-V250 HydrophobicContact CD2-CG1 3.94Å; L51-V250 HydrophobicContact CG-CG1 4.48Å; I248-V250 VanDerWaalsContact C-N 3.26Å; I248-V250 HydrophobicContact CB-CG2 4.44Å; I248-V250 HydrophobicContact CG2-CG2 4.21Å; I248-V250 PolarHBondContact O-N 3.34Å; V250-G252 VanDerWaalsContact C-N 3.32Å; V250-G252 PolarHBondContact O-N 3.47Å; V250-V253 PolarHBondContact O-N 3.13Å; V250-Q254 PolarHBondContact O-N 2.8Å; V250-Q254 VanDerWaalsContact O-N 3.08Å; V250-Y288 HydrophobicContact CG1-CD1 4.08Å; V250-Y288 HydrophobicContact CG1-CE1 3.28Å; V250-Y288 PolarHBondContact O-OH 2.91Å |
| 251 | L | 92.9 | Very high | 94 | Very high | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.8 | 177 | 55 | 0 | 0 | 0 | 111.2 | Q54 D249 V253 Q254 R255 | Q54-L251 HydrophobicContact CG-CD1 3.38Å; Q54-L251 HydrophobicContact CG-CD2 4.36Å; Q54-L251 HydrophobicContact CG-CG 4.5Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.35Å; L251-V253 PolarHBondContact O-N 3.24Å; L251-Q254 WeakPolarHBondContact O-CB 3.45Å; L251-Q254 PolarHBondContact O-N 3.29Å; L251-R255 HydrophobicContact CD1-CG 4.33Å; L251-R255 WeakPolarHBondContact O-CG 3.22Å; L251-R255 PolarHBondContact O-N 2.77Å |
| 252 | G | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R82 D249 V250 R255 F256 | R82-G252 PolarHBondContact NH2-O 3.35Å; D249-G252 CarbonylContact O-C 3.55Å; D249-G252 WeakPolarHBondContact O-CA 3.24Å; D249-G252 PolarHBondContact O-N 3.02Å; D249-G252 PolarHBondContact OD1-N 3.42Å; D249-G252 VanDerWaalsContact OD1-N 3.11Å; D249-G252 VanDerWaalsContact OD2-CA 3.24Å; D249-G252 WeakPolarHBondContact OD2-CA 3.45Å; D249-G252 PolarHBondContact OD2-N 2.88Å; V250-G252 VanDerWaalsContact C-N 3.32Å; V250-G252 PolarHBondContact O-N 3.47Å; G252-R255 PolarHBondContact O-N 2.72Å; G252-F256 WeakPolarHBondContact O-CD2 3.43Å; G252-F256 PolarHBondContact O-N 2.98Å |
| 253 | V | 94.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | E242 L243 I248 D249 V250 L251 R255 F256 L257 Y288 | E242-V253 HydrophobicContact CB-CG2 3.72Å; E242-V253 HydrophobicContact CG-CG2 3.17Å; L243-V253 HydrophobicContact CD2-CG1 3.82Å; L243-V253 HydrophobicContact CD2-CG2 4.38Å; L243-V253 HydrophobicContact CG-CG1 4.14Å; L243-V253 HydrophobicContact CG-CG2 4.45Å; I248-V253 HydrophobicContact CG2-CG2 4.32Å; D249-V253 PolarHBondContact O-N 3.06Å; V250-V253 PolarHBondContact O-N 3.13Å; L251-V253 PolarHBondContact O-N 3.24Å; V253-R255 VanDerWaalsContact C-N 3.26Å; V253-R255 PolarHBondContact O-N 2.84Å; V253-F256 WeakPolarHBondContact O-CB 3.49Å; V253-F256 PolarHBondContact O-N 2.97Å; V253-L257 HydrophobicContact CG1-CD1 4.49Å; V253-L257 WeakPolarHBondContact O-CG 3.29Å; V253-L257 PolarHBondContact O-N 3.15Å; V253-Y288 VanDerWaalsContact CB-OH 3.24Å; V253-Y288 WeakPolarHBondContact CB-OH 3.3Å; V253-Y288 HydrophobicContact CG1-CE2 4.12Å; V253-Y288 WeakPolarHBondContact CG1-OH 3.47Å |
| 254 | Q | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -50.8 | -50 | 172.6 | 162.9 | -177.6 | -66.4 | 0 | 0 | 110.9 | L55 D58 V250 L251 L257 L258 Y288 Y292 L296 | L55-Q254 HydrophobicContact CD1-CG 4.04Å; D58-Q254 PolarHBondContact OD2-NE2 3.48Å; V250-Q254 PolarHBondContact O-N 2.8Å; V250-Q254 VanDerWaalsContact O-N 3.08Å; L251-Q254 WeakPolarHBondContact O-CB 3.45Å; L251-Q254 PolarHBondContact O-N 3.29Å; Q254-L257 WeakPolarHBondContact O-CB 3.34Å; Q254-L257 PolarHBondContact O-N 3.4Å; Q254-L258 PolarHBondContact O-N 2.88Å; Q254-Y288 PolarHBondContact N-OH 3.36Å; Q254-Y292 PolarHBondContact OE1-OH 2.71Å; Q254-L296 HydrophobicContact CB-CD2 4.36Å; Q254-L296 HydrophobicContact CG-CD2 4.09Å |
| 255 | R | 94.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | -177.5 | -73.1 | 175 | 174.3 | -168.9 | -8 | 112.2 | D58 D69 E70 L251 G252 V253 L257 L258 F259 | D58-R255 IonicContact OD1-CZ 3.54Å; D58-R255 IonicContact OD1-NE 3.02Å; D58-R255 IonicContact OD1-NH2 3.65Å; D58-R255 PolarHBondContact OD1-NH2 2.86Å; D58-R255 VanDerWaalsContact OD2-CG 3.24Å; D58-R255 WeakPolarHBondContact OD2-CG 3.39Å; D58-R255 IonicContact OD2-CZ 2.88Å; D58-R255 IonicContact OD2-NE 3.84Å; D58-R255 PolarHBondContact OD2-NE 2.87Å; D69-R255 IonicContact OD2-CZ 3.27Å; D69-R255 IonicContact OD2-NH1 3.76Å; D69-R255 PolarHBondContact OD2-NH1 3.4Å; D69-R255 IonicContact OD2-NH2 3.59Å; D69-R255 PolarHBondContact OD2-NH2 3.17Å; E70-R255 WeakPolarHBondContact OE2-CD 3.5Å; E70-R255 IonicContact OE2-CZ 3.96Å; E70-R255 IonicContact OE2-NE 2.84Å; E70-R255 IonicContact OE2-NH1 2.68Å; E70-R255 PolarHBondContact OE2-NH1 3.01Å; L251-R255 HydrophobicContact CD1-CG 4.33Å; L251-R255 WeakPolarHBondContact O-CG 3.22Å; L251-R255 PolarHBondContact O-N 2.77Å; G252-R255 PolarHBondContact O-N 2.72Å; V253-R255 VanDerWaalsContact C-N 3.26Å; V253-R255 PolarHBondContact O-N 2.84Å; R255-L257 VanDerWaalsContact C-N 3.34Å; R255-L257 PolarHBondContact O-N 3.44Å; R255-L258 PolarHBondContact O-N 2.78Å; R255-F259 HydrophobicContact CB-CD2 4.34Å; R255-F259 HydrophobicContact CB-CE2 3.82Å; R255-F259 HydrophobicContact CB-CZ 4.26Å; R255-F259 WeakPolarHBondContact O-CD2 3.19Å; R255-F259 WeakPolarHBondContact O-CG 3.43Å; R255-F259 PolarHBondContact O-N 2.87Å |
| 256 | F | 94.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.1 | -49.8 | 170.3 | -93.8 | -63.3 | 0 | 0 | 0 | 111.5 | R82 F235 L238 I239 G252 V253 L258 F259 R260 | R82-F256 HydrophobicContact CG-CE2 4.49Å; R82-F256 HydrophobicContact CG-CZ 4.46Å; F235-F256 HydrophobicContact CD1-CE1 4.26Å; F235-F256 HydrophobicContact CE1-CE1 4.25Å; L238-F256 HydrophobicContact CD1-CE1 4.18Å; L238-F256 HydrophobicContact CD1-CZ 4.23Å; I239-F256 HydrophobicContact CG1-CB 4.32Å; G252-F256 WeakPolarHBondContact O-CD2 3.43Å; G252-F256 PolarHBondContact O-N 2.98Å; V253-F256 WeakPolarHBondContact O-CB 3.49Å; V253-F256 PolarHBondContact O-N 2.97Å; F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.12Å; F256-F259 PolarHBondContact O-N 3.27Å; F256-R260 VanDerWaalsContact O-CG 3.28Å; F256-R260 WeakPolarHBondContact O-CG 3.39Å; F256-R260 PolarHBondContact O-N 2.86Å |
| 257 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 177 | -62.4 | 177.6 | 0 | 0 | 0 | 111 | V253 Q254 R255 R260 S261 L265 L280 V284 L296 L300 | V253-L257 HydrophobicContact CG1-CD1 4.49Å; V253-L257 WeakPolarHBondContact O-CG 3.29Å; V253-L257 PolarHBondContact O-N 3.15Å; Q254-L257 WeakPolarHBondContact O-CB 3.34Å; Q254-L257 PolarHBondContact O-N 3.4Å; R255-L257 VanDerWaalsContact C-N 3.34Å; R255-L257 PolarHBondContact O-N 3.44Å; L257-R260 PolarHBondContact O-N 3.44Å; L257-S261 VanDerWaalsContact O-CB 3.27Å; L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 3.11Å; L257-L265 HydrophobicContact CB-CD2 4.45Å; L257-L265 HydrophobicContact CD2-CD1 3.84Å; L257-L265 HydrophobicContact CD2-CD2 4.45Å; L257-L265 WeakPolarHBondContact O-CD2 3.4Å; L257-L280 HydrophobicContact CD2-CD2 3.91Å; L257-V284 HydrophobicContact CD1-CG2 3.93Å; L257-L296 HydrophobicContact CD1-CB 4.31Å; L257-L296 HydrophobicContact CD1-CD1 4.42Å; L257-L296 HydrophobicContact CD1-CD2 4.45Å; L257-L300 HydrophobicContact CD2-CD2 4.22Å |
| 258 | L | 93.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.2 | -50.5 | 179.5 | -176.3 | 59.9 | 0 | 0 | 0 | 112.3 | D58 L59 L66 Q254 R255 F256 R260 S261 L299 | D58-L258 HydrophobicContact CB-CD2 3.93Å; L59-L258 HydrophobicContact CD2-CD1 3.62Å; L66-L258 HydrophobicContact CD2-CD2 3.77Å; Q254-L258 PolarHBondContact O-N 2.88Å; R255-L258 PolarHBondContact O-N 2.78Å; F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.12Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.02Å; L258-S261 WeakPolarHBondContact O-CB 3.31Å; L258-S261 PolarHBondContact O-N 2.93Å; L258-S261 PolarHBondContact O-OG 2.51Å; L258-L299 HydrophobicContact CD1-CD1 4.33Å; L258-L299 HydrophobicContact CD1-CD2 4.32Å |
| 259 | F | 92.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 16.5 Ų | 16.5 | 10% | 0.096 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 178.9 | -63.3 | -44 | 0 | 0 | 0 | 111.9 | T63 L66 L67 E70 R255 F256 I263 | T63-F259 HydrophobicContact CG2-CD1 4.18Å; T63-F259 HydrophobicContact CG2-CE1 4.36Å; L66-F259 HydrophobicContact CB-CE1 3.96Å; L66-F259 HydrophobicContact CB-CZ 4.24Å; L66-F259 HydrophobicContact CD2-CE1 3.65Å; L66-F259 HydrophobicContact CD2-CZ 4.01Å; L66-F259 HydrophobicContact CG-CE1 3.73Å; L66-F259 HydrophobicContact CG-CZ 3.74Å; L67-F259 HydrophobicContact CD2-CD1 3.97Å; L67-F259 HydrophobicContact CD2-CD2 4.09Å; L67-F259 HydrophobicContact CD2-CE1 3.74Å; L67-F259 HydrophobicContact CD2-CE2 3.89Å; L67-F259 HydrophobicContact CD2-CG 4.15Å; L67-F259 HydrophobicContact CD2-CZ 3.71Å; L67-F259 HydrophobicContact CG-CD1 4.18Å; L67-F259 HydrophobicContact CG-CE1 3.72Å; L67-F259 HydrophobicContact CG-CZ 4Å; E70-F259 HydrophobicContact CB-CE2 4.29Å; E70-F259 HydrophobicContact CB-CZ 4.35Å; E70-F259 HydrophobicContact CG-CE2 4.24Å; R255-F259 HydrophobicContact CB-CD2 4.34Å; R255-F259 HydrophobicContact CB-CE2 3.82Å; R255-F259 HydrophobicContact CB-CZ 4.26Å; R255-F259 WeakPolarHBondContact O-CD2 3.19Å; R255-F259 WeakPolarHBondContact O-CG 3.43Å; R255-F259 PolarHBondContact O-N 2.87Å; F256-F259 PolarHBondContact O-N 3.27Å; F259-I263 WeakPolarHBondContact O-CD1 3.44Å; F259-I263 WeakPolarHBondContact O-CG1 3.39Å |
| 260 | R | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -77.6 | -21 | -179.2 | -57.2 | -47.2 | -65.7 | 174.2 | -10.9 | 113.2 | D89 F235 F256 L257 L258 E262 I263 D264 L265 I268 | D89-R260 IonicContact OD1-NH1 3.89Å; D89-R260 IonicContact OD2-CZ 3.62Å; D89-R260 IonicContact OD2-NH1 3.32Å; D89-R260 PolarHBondContact OD2-NH1 2.87Å; F235-R260 VanDerWaalsContact CE2-CZ 3.46Å; F256-R260 VanDerWaalsContact O-CG 3.28Å; F256-R260 WeakPolarHBondContact O-CG 3.39Å; F256-R260 PolarHBondContact O-N 2.86Å; L257-R260 PolarHBondContact O-N 3.44Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.02Å; R260-E262 PolarHBondContact O-N 3.31Å; R260-E262 VanDerWaalsContact O-N 3.09Å; R260-I263 PolarHBondContact O-N 3.45Å; R260-D264 IonicContact CZ-OD1 3.14Å; R260-D264 IonicContact CZ-OD2 3.81Å; R260-D264 IonicContact NE-OD1 2.75Å; R260-D264 PolarHBondContact NE-OD1 2.88Å; R260-D264 IonicContact NH2-OD1 3.83Å; R260-D264 PolarHBondContact NH2-OD1 3.47Å; R260-D264 IonicContact NH2-OD2 3.8Å; R260-D264 PolarHBondContact NH2-OD2 3.02Å; R260-D264 PolarHBondContact O-N 3.4Å; R260-L265 HydrophobicContact CB-CB 3.91Å; R260-L265 HydrophobicContact CB-CD1 4.12Å; R260-L265 VanDerWaalsContact O-CB 3.31Å; R260-L265 WeakPolarHBondContact O-CB 3.4Å; R260-L265 PolarHBondContact O-N 3.32Å; R260-I268 HydrophobicContact CB-CD1 3.86Å; R260-I268 HydrophobicContact CG-CD1 3.66Å |
| 261 | S | 91.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.8 | -173.3 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | L257 L258 | L257-S261 VanDerWaalsContact O-CB 3.27Å; L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 3.11Å; L258-S261 WeakPolarHBondContact O-CB 3.31Å; L258-S261 PolarHBondContact O-N 2.93Å; L258-S261 PolarHBondContact O-OG 2.51Å |
| 262 | E | 85.3 | Confident | 92.6 | Very high | 27 Ų | 27 | 18.6 Ų | 18.6 | 13% | 0.126 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 3.8 | 179.9 | -57.9 | 177.4 | -158.7 | 0 | 0 | 112.1 | T21 N22 R25 R260 P314 | T21-E262 WeakPolarHBondContact CA-OE2 3.35Å; N22-E262 PolarHBondContact N-OE1 3.35Å; N22-E262 PolarHBondContact N-OE2 3.23Å; R25-E262 IonicContact CZ-OE1 2.76Å; R25-E262 VanDerWaalsContact CZ-OE1 3.24Å; R25-E262 IonicContact NH1-OE1 3.18Å; R25-E262 PolarHBondContact NH1-OE1 3.47Å; R25-E262 IonicContact NH2-OE1 3.91Å; R25-E262 PolarHBondContact NH2-OE1 3.08Å; R260-E262 PolarHBondContact O-N 3.31Å; R260-E262 VanDerWaalsContact O-N 3.09Å; E262-P314 WeakPolarHBondContact OE2-CG 3.45Å |
| 263 | I | 88.7 | Confident | 92.7 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -68.8 | -169.3 | -53.7 | 174.3 | 0 | 0 | 0 | 110.9 | F259 R260 Q310 R311 | F259-I263 WeakPolarHBondContact O-CD1 3.44Å; F259-I263 WeakPolarHBondContact O-CG1 3.39Å; R260-I263 PolarHBondContact O-N 3.45Å; I263-Q310 HydrophobicContact CG2-CB 3.52Å; I263-Q310 HydrophobicContact CG2-CG 4.14Å; I263-R311 VanDerWaalsContact CD1-O 3.32Å; I263-R311 WeakPolarHBondContact CD1-O 3.39Å; I263-R311 WeakPolarHBondContact CG1-O 3.47Å |
| 264 | D | 91.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -159.5 | 21 | -170.3 | 71.3 | -13.9 | 0 | 0 | 0 | 114 | R260 H266 T267 I268 E304 | R260-D264 IonicContact CZ-OD1 3.14Å; R260-D264 IonicContact CZ-OD2 3.81Å; R260-D264 IonicContact NE-OD1 2.75Å; R260-D264 PolarHBondContact NE-OD1 2.88Å; R260-D264 IonicContact NH2-OD1 3.83Å; R260-D264 PolarHBondContact NH2-OD1 3.47Å; R260-D264 IonicContact NH2-OD2 3.8Å; R260-D264 PolarHBondContact NH2-OD2 3.02Å; R260-D264 PolarHBondContact O-N 3.4Å; D264-H266 PolarHBondContact O-N 2.89Å; D264-T267 PolarHBondContact O-N 3.45Å; D264-T267 VanDerWaalsContact O-N 3.11Å; D264-I268 WeakPolarHBondContact O-CG1 3.08Å; D264-I268 PolarHBondContact O-N 2.97Å; D264-I268 WeakPolarHBondContact OD1-CD1 3.48Å; D264-E304 WeakPolarHBondContact CA-OE1 3.5Å; D264-E304 VanDerWaalsContact O-OE1 3.07Å |
| 265 | L | 92.5 | Very high | 93 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -31.5 | -175.5 | -178.1 | 59.2 | 0 | 0 | 0 | 113.2 | L257 R260 I268 D269 L280 L299 L300 | L257-L265 HydrophobicContact CB-CD2 4.45Å; L257-L265 HydrophobicContact CD2-CD1 3.84Å; L257-L265 HydrophobicContact CD2-CD2 4.45Å; L257-L265 WeakPolarHBondContact O-CD2 3.4Å; R260-L265 HydrophobicContact CB-CB 3.91Å; R260-L265 HydrophobicContact CB-CD1 4.12Å; R260-L265 VanDerWaalsContact O-CB 3.31Å; R260-L265 WeakPolarHBondContact O-CB 3.4Å; R260-L265 PolarHBondContact O-N 3.32Å; L265-I268 HydrophobicContact CD1-CB 4.49Å; L265-I268 HydrophobicContact CD1-CG2 4.39Å; L265-I268 WeakPolarHBondContact O-CB 3.24Å; L265-I268 PolarHBondContact O-N 2.95Å; L265-D269 PolarHBondContact O-N 2.92Å; L265-L280 HydrophobicContact CD1-CD2 4.06Å; L265-L299 HydrophobicContact CD2-CB 4.28Å; L265-L300 HydrophobicContact CD1-CD2 3.8Å; L265-L300 HydrophobicContact CD2-CD2 3.78Å; L265-L300 HydrophobicContact CD2-CG 4.4Å; L265-L300 HydrophobicContact CG-CD2 3.7Å |
| 266 | H | 89.2 | Confident | 93.2 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 32% | 0.315 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.9 | -36.7 | 177.9 | 176.5 | 73 | 0 | 0 | 0 | 112.1 | D264 D269 K270 E304 | D264-H266 PolarHBondContact O-N 2.89Å; H266-D269 PolarHBondContact O-N 3.34Å; H266-K270 PolarHBondContact CD2-NZ 2.82Å; H266-K270 VanDerWaalsContact CD2-NZ 3.29Å; H266-K270 WeakPolarHBondContact NE2-CE 3.24Å; H266-K270 PolarHBondContact NE2-NZ 3.36Å; H266-K270 WeakPolarHBondContact O-CG 3.46Å; H266-K270 PolarHBondContact O-N 3.29Å; H266-E304 HydrophobicContact CB-CG 3.73Å; H266-E304 WeakPolarHBondContact CB-OE1 3.36Å; H266-E304 PolarHBondContact N-OE1 2.73Å |
| 267 | T | 90.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 36 Ų | 36 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.9 | -36.7 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | P232 D264 K270 M271 E304 | P232-T267 HydrophobicContact CB-CG2 3.74Å; P232-T267 HydrophobicContact CG-CG2 3.68Å; D264-T267 PolarHBondContact O-N 3.45Å; D264-T267 VanDerWaalsContact O-N 3.11Å; T267-K270 PolarHBondContact O-N 3.45Å; T267-M271 WeakPolarHBondContact O-CG 3.5Å; T267-M271 PolarHBondContact O-N 2.97Å; T267-E304 WeakPolarHBondContact CA-OE1 3.39Å; T267-E304 WeakPolarHBondContact CB-OE1 3.41Å; T267-E304 PolarHBondContact N-OE1 3.48Å; T267-E304 VanDerWaalsContact OG1-CD 3.25Å; T267-E304 PolarHBondContact OG1-OE1 3.12Å; T267-E304 PolarHBondContact OG1-OE2 3.24Å |
| 268 | I | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 168.9 | -72.2 | 170.7 | 0 | 0 | 0 | 110.4 | P232 F235 A236 I239 R260 D264 L265 K270 M271 Y272 L280 | P232-I268 HydrophobicContact CB-CG1 4Å; F235-I268 HydrophobicContact CB-CD1 3.51Å; F235-I268 HydrophobicContact CB-CG1 4.08Å; F235-I268 HydrophobicContact CG-CD1 4.21Å; A236-I268 HydrophobicContact CB-CG2 4.05Å; I239-I268 HydrophobicContact CD1-CG2 3.87Å; R260-I268 HydrophobicContact CB-CD1 3.86Å; R260-I268 HydrophobicContact CG-CD1 3.66Å; D264-I268 WeakPolarHBondContact O-CG1 3.08Å; D264-I268 PolarHBondContact O-N 2.97Å; D264-I268 WeakPolarHBondContact OD1-CD1 3.48Å; L265-I268 HydrophobicContact CD1-CB 4.49Å; L265-I268 HydrophobicContact CD1-CG2 4.39Å; L265-I268 WeakPolarHBondContact O-CB 3.24Å; L265-I268 PolarHBondContact O-N 2.95Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.23Å; I268-M271 CarbonylContact O-C 3.57Å; I268-M271 PolarHBondContact O-N 2.89Å; I268-M271 VanDerWaalsContact O-N 3.14Å; I268-Y272 VanDerWaalsContact O-CB 3.31Å; I268-Y272 WeakPolarHBondContact O-CB 3.35Å; I268-Y272 PolarHBondContact O-N 3.18Å; I268-L280 HydrophobicContact CG2-CD2 4.43Å |
| 269 | D | 92.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.9 | 177.9 | 54.4 | 0 | 0 | 0 | 112 | L265 H266 M271 Y272 K273 L280 | L265-D269 PolarHBondContact O-N 2.92Å; H266-D269 PolarHBondContact O-N 3.34Å; D269-M271 PolarHBondContact O-N 3.39Å; D269-Y272 WeakPolarHBondContact O-CB 3.22Å; D269-Y272 PolarHBondContact O-N 3.43Å; D269-K273 PolarHBondContact O-N 3.16Å; D269-L280 HydrophobicContact CB-CB 4.44Å; D269-L280 VanDerWaalsContact OD1-CB 3.25Å; D269-L280 WeakPolarHBondContact OD1-CB 3.24Å; D269-L280 PolarHBondContact OD1-N 3.07Å |
| 270 | K | 92.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 42.4 Ų | 42.4 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.3 | -69.6 | 172.9 | -173.4 | 162.2 | 0 | 112.3 | H266 T267 I268 A274 | H266-K270 PolarHBondContact CD2-NZ 2.82Å; H266-K270 VanDerWaalsContact CD2-NZ 3.29Å; H266-K270 WeakPolarHBondContact NE2-CE 3.24Å; H266-K270 PolarHBondContact NE2-NZ 3.36Å; H266-K270 WeakPolarHBondContact O-CG 3.46Å; H266-K270 PolarHBondContact O-N 3.29Å; T267-K270 PolarHBondContact O-N 3.45Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.23Å; K270-A274 WeakPolarHBondContact O-CB 3.48Å; K270-A274 PolarHBondContact O-N 3.17Å |
| 271 | M | 94.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 177.9 | -69 | -55.3 | 135.9 | 0 | 0 | 112.1 | P232 M233 A236 T267 I268 D269 A274 K275 | P232-M271 HydrophobicContact CB-CG 3.9Å; M233-M271 HydrophobicContact CB-CB 4.42Å; M233-M271 HydrophobicContact CE-CB 3.9Å; M233-M271 HydrophobicContact CE-CG 4.33Å; M233-M271 HydrophobicContact CE-SD 3.9Å; M233-M271 HydrophobicContact SD-CB 4.14Å; A236-M271 HydrophobicContact CB-CB 4.36Å; T267-M271 WeakPolarHBondContact O-CG 3.5Å; T267-M271 PolarHBondContact O-N 2.97Å; I268-M271 CarbonylContact O-C 3.57Å; I268-M271 PolarHBondContact O-N 2.89Å; I268-M271 VanDerWaalsContact O-N 3.14Å; D269-M271 PolarHBondContact O-N 3.39Å; M271-A274 PolarHBondContact O-N 2.9Å; M271-K275 WeakPolarHBondContact O-CB 3.35Å; M271-K275 PolarHBondContact O-N 3.23Å |
| 272 | Y | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -52.5 | 175.5 | -164.8 | -77.9 | 0 | 0 | 0 | 110.2 | A236 I239 H240 I268 D269 A274 K275 Y276 I278 L280 D283 | A236-Y272 HydrophobicContact CB-CD2 4.05Å; A236-Y272 HydrophobicContact CB-CG 4.49Å; A236-Y272 WeakPolarHBondContact O-CD2 3.34Å; I239-Y272 HydrophobicContact CG2-CE2 4.25Å; H240-Y272 WeakPolarHBondContact CA-OH 3.43Å; H240-Y272 HydrophobicContact CB-CD2 4.39Å; H240-Y272 HydrophobicContact CB-CE2 3.49Å; H240-Y272 VanDerWaalsContact CB-CE2 3.49Å; H240-Y272 AromaticContact CD2-CZ 3.8Å; H240-Y272 PolarHBondContact CD2-OH 3.33Å; I268-Y272 VanDerWaalsContact O-CB 3.31Å; I268-Y272 WeakPolarHBondContact O-CB 3.35Å; I268-Y272 PolarHBondContact O-N 3.18Å; D269-Y272 WeakPolarHBondContact O-CB 3.22Å; D269-Y272 PolarHBondContact O-N 3.43Å; Y272-A274 VanDerWaalsContact C-N 3.34Å; Y272-A274 PolarHBondContact O-N 3.08Å; Y272-K275 PolarHBondContact O-N 3.32Å; Y272-Y276 HydrophobicContact CD1-CD2 4.07Å; Y272-Y276 HydrophobicContact CD2-CD2 4.21Å; Y272-Y276 HydrophobicContact CD2-CE2 4.43Å; Y272-Y276 HydrophobicContact CE1-CD2 4.15Å; Y272-Y276 HydrophobicContact CE2-CD2 4.3Å; Y272-Y276 HydrophobicContact CE2-CE2 4.48Å; Y272-Y276 HydrophobicContact CG-CD2 4.1Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.42Å; Y272-Y276 PolarHBondContact O-N 2.94Å; Y272-I278 WeakPolarHBondContact CD1-O 3.35Å; Y272-I278 HydrophobicContact CE1-CG2 4.03Å; Y272-L280 HydrophobicContact CD1-CB 4.05Å; Y272-L280 HydrophobicContact CD2-CB 4.19Å; Y272-L280 HydrophobicContact CD2-CD1 4.08Å; Y272-L280 HydrophobicContact CE1-CB 4.44Å; Y272-L280 HydrophobicContact CE2-CD1 3.8Å; Y272-L280 HydrophobicContact CG-CB 3.92Å; Y272-D283 VanDerWaalsContact CE1-OD2 3.27Å; Y272-D283 WeakPolarHBondContact CE1-OD2 3.43Å; Y272-D283 VanDerWaalsContact CZ-OD2 3.28Å; Y272-D283 PolarHBondContact OH-OD2 3.05Å |
| 273 | K | 96.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -43.2 | 174.7 | 177.1 | 170.1 | 178.1 | -165.9 | 0 | 112.7 | D269 K275 G277 I278 Y279 | D269-K273 PolarHBondContact O-N 3.16Å; K273-K275 VanDerWaalsContact C-N 3.26Å; K273-K275 PolarHBondContact O-N 3.3Å; K273-G277 WeakPolarHBondContact O-CA 3.3Å; K273-G277 PolarHBondContact O-N 3.34Å; K273-I278 VanDerWaalsContact CA-O 3.25Å; K273-I278 WeakPolarHBondContact CA-O 3.38Å; K273-Y279 HydrophobicContact CB-CD1 4.31Å; K273-Y279 HydrophobicContact CD-CD1 3.63Å; K273-Y279 HydrophobicContact CD-CD2 4.14Å; K273-Y279 HydrophobicContact CD-CE1 3.28Å; K273-Y279 HydrophobicContact CD-CE2 3.84Å; K273-Y279 HydrophobicContact CD-CG 4.06Å; K273-Y279 VanDerWaalsContact CD-CZ 3.43Å; K273-Y279 PolarHBondContact NZ-OH 2.68Å |
| 274 | A | 97.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 65% | 0.645 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.9 | -34.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K270 M271 Y272 | K270-A274 WeakPolarHBondContact O-CB 3.48Å; K270-A274 PolarHBondContact O-N 3.17Å; M271-A274 PolarHBondContact O-N 2.9Å; Y272-A274 VanDerWaalsContact C-N 3.34Å; Y272-A274 PolarHBondContact O-N 3.08Å |
| 275 | K | 97.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 50.2 Ų | 50.2 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -87.8 | -41.1 | -178.2 | -179 | 169.7 | 173.1 | -178.9 | 0 | 113.8 | M233 T237 M271 Y272 K273 | M233-K275 HydrophobicContact CE-CB 3.99Å; M233-K275 HydrophobicContact CG-CD 4.36Å; M233-K275 HydrophobicContact SD-CB 3.61Å; M233-K275 HydrophobicContact SD-CD 3.4Å; M233-K275 WeakPolarHBondContact SD-CD 3.19Å; M233-K275 HydrophobicContact SD-CG 4.08Å; T237-K275 PolarHBondContact OG1-NZ 3.37Å; M271-K275 WeakPolarHBondContact O-CB 3.35Å; M271-K275 PolarHBondContact O-N 3.23Å; Y272-K275 PolarHBondContact O-N 3.32Å; K273-K275 VanDerWaalsContact C-N 3.26Å; K273-K275 PolarHBondContact O-N 3.3Å |
| 276 | Y | 97.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 55 Ų | 55 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -107.2 | -8.2 | -170.3 | -60.3 | -69.4 | 0 | 0 | 0 | 114 | T237 H240 Y272 I278 | T237-Y276 WeakPolarHBondContact CA-OH 3.42Å; T237-Y276 WeakPolarHBondContact CG2-OH 3.37Å; H240-Y276 HydrophobicContact CB-CD2 3.99Å; H240-Y276 HydrophobicContact CB-CE1 4.15Å; H240-Y276 HydrophobicContact CB-CE2 3.4Å; H240-Y276 VanDerWaalsContact CB-CE2 3.4Å; H240-Y276 VanDerWaalsContact CB-CZ 3.48Å; H240-Y276 AromaticContact CD2-CD1 3.34Å; H240-Y276 WeakPolarHBondContact CD2-CD1 3.47Å; H240-Y276 AromaticContact CD2-CD2 3.63Å; H240-Y276 AromaticContact CD2-CE1 3.49Å; H240-Y276 VanDerWaalsContact CD2-CE1 3.49Å; H240-Y276 WeakPolarHBondContact CD2-CE1 3.5Å; H240-Y276 AromaticContact CD2-CE2 3.81Å; H240-Y276 AromaticContact CD2-CG 3.4Å; H240-Y276 VanDerWaalsContact CD2-CG 3.4Å; H240-Y276 AromaticContact CD2-CZ 3.72Å; H240-Y276 AromaticContact CE1-CD1 3.85Å; H240-Y276 AromaticContact CE1-CE1 3.58Å; H240-Y276 AromaticContact CG-CD1 3.81Å; H240-Y276 AromaticContact CG-CD2 3.91Å; H240-Y276 AromaticContact CG-CE1 3.44Å; H240-Y276 VanDerWaalsContact CG-CE1 3.44Å; H240-Y276 AromaticContact CG-CE2 3.58Å; H240-Y276 AromaticContact CG-CZ 3.3Å; H240-Y276 AromaticContact ND1-CE1 3.48Å; H240-Y276 WeakPolarHBondContact ND1-CE1 3.46Å; H240-Y276 AromaticContact ND1-CZ 3.64Å; H240-Y276 AromaticContact NE2-CD1 3.36Å; H240-Y276 WeakPolarHBondContact NE2-CD1 3.41Å; H240-Y276 AromaticContact NE2-CE1 3.58Å; H240-Y276 AromaticContact NE2-CG 3.86Å; Y272-Y276 HydrophobicContact CD1-CD2 4.07Å; Y272-Y276 HydrophobicContact CD2-CD2 4.21Å; Y272-Y276 HydrophobicContact CD2-CE2 4.43Å; Y272-Y276 HydrophobicContact CE1-CD2 4.15Å; Y272-Y276 HydrophobicContact CE2-CD2 4.3Å; Y272-Y276 HydrophobicContact CE2-CE2 4.48Å; Y272-Y276 HydrophobicContact CG-CD2 4.1Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.42Å; Y272-Y276 PolarHBondContact O-N 2.94Å; Y276-I278 PolarHBondContact O-N 3.48Å |
| 277 | G | 97.2 | Very high | 94.7 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 75.1 | 0.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | K273 | K273-G277 WeakPolarHBondContact O-CA 3.3Å; K273-G277 PolarHBondContact O-N 3.34Å |
| 278 | I | 95.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 52 Ų | 52 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -126 | 149.4 | 178.7 | -172.5 | 168.9 | 0 | 0 | 0 | 109.6 | Y272 K273 Y276 D282 | Y272-I278 WeakPolarHBondContact CD1-O 3.35Å; Y272-I278 HydrophobicContact CE1-CG2 4.03Å; K273-I278 VanDerWaalsContact CA-O 3.25Å; K273-I278 WeakPolarHBondContact CA-O 3.38Å; Y276-I278 PolarHBondContact O-N 3.48Å; I278-D282 HydrophobicContact CD1-CB 3.82Å; I278-D282 HydrophobicContact CG1-CB 3.7Å |
| 279 | Y | 93.4 | Very high | 94.6 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | trans | -74.8 | 147.7 | 175.7 | -69.1 | -87.5 | 0 | 0 | 0 | 111 | K273 S281 D282 D283 | K273-Y279 HydrophobicContact CB-CD1 4.31Å; K273-Y279 HydrophobicContact CD-CD1 3.63Å; K273-Y279 HydrophobicContact CD-CD2 4.14Å; K273-Y279 HydrophobicContact CD-CE1 3.28Å; K273-Y279 HydrophobicContact CD-CE2 3.84Å; K273-Y279 HydrophobicContact CD-CG 4.06Å; K273-Y279 VanDerWaalsContact CD-CZ 3.43Å; K273-Y279 PolarHBondContact NZ-OH 2.68Å; Y279-S281 WeakPolarHBondContact CB-OG 3.42Å; Y279-S281 PolarHBondContact O-N 3.23Å; Y279-D282 PolarHBondContact N-OD2 3.08Å; Y279-D282 WeakPolarHBondContact O-CB 3.19Å; Y279-D282 PolarHBondContact O-N 3.15Å; Y279-D283 PolarHBondContact O-N 3.49Å | ||
| 280 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -33.7 | 173.3 | 174.6 | 55.5 | 0 | 0 | 0 | 110.6 | I239 L243 L257 L265 I268 D269 Y272 D282 D283 V284 L300 | I239-L280 HydrophobicContact CD1-CD2 4.42Å; I239-L280 HydrophobicContact CG2-CD1 3.44Å; I239-L280 VanDerWaalsContact CG2-CD1 3.44Å; I239-L280 HydrophobicContact CG2-CD2 4.34Å; L243-L280 HydrophobicContact CD1-CD1 3.66Å; L257-L280 HydrophobicContact CD2-CD2 3.91Å; L265-L280 HydrophobicContact CD1-CD2 4.06Å; I268-L280 HydrophobicContact CG2-CD2 4.43Å; D269-L280 HydrophobicContact CB-CB 4.44Å; D269-L280 VanDerWaalsContact OD1-CB 3.25Å; D269-L280 WeakPolarHBondContact OD1-CB 3.24Å; D269-L280 PolarHBondContact OD1-N 3.07Å; Y272-L280 HydrophobicContact CD1-CB 4.05Å; Y272-L280 HydrophobicContact CD2-CB 4.19Å; Y272-L280 HydrophobicContact CD2-CD1 4.08Å; Y272-L280 HydrophobicContact CE1-CB 4.44Å; Y272-L280 HydrophobicContact CE2-CD1 3.8Å; Y272-L280 HydrophobicContact CG-CB 3.92Å; L280-D282 PolarHBondContact O-N 3.47Å; L280-D283 PolarHBondContact O-N 2.85Å; L280-V284 HydrophobicContact CD1-CG2 4.05Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CB 3.48Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.24Å; L280-L300 HydrophobicContact CD2-CD2 3.64Å; L280-L300 HydrophobicContact CG-CD2 4.03Å |
| 281 | S | 92.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58 | -32.8 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | Y279 K285 | Y279-S281 WeakPolarHBondContact CB-OG 3.42Å; Y279-S281 PolarHBondContact O-N 3.23Å; S281-K285 VanDerWaalsContact O-CG 3.31Å; S281-K285 WeakPolarHBondContact O-CG 3.3Å; S281-K285 PolarHBondContact O-N 3.17Å |
| 282 | D | 93.9 | Very high | 94 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76.1 | -42 | -177.9 | -60.2 | -32.1 | 0 | 0 | 0 | 110.3 | I278 Y279 L280 K285 R286 | I278-D282 HydrophobicContact CD1-CB 3.82Å; I278-D282 HydrophobicContact CG1-CB 3.7Å; Y279-D282 PolarHBondContact N-OD2 3.08Å; Y279-D282 WeakPolarHBondContact O-CB 3.19Å; Y279-D282 PolarHBondContact O-N 3.15Å; L280-D282 PolarHBondContact O-N 3.47Å; D282-K285 PolarHBondContact O-N 2.57Å; D282-R286 PolarHBondContact O-N 3.16Å |
| 283 | D | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 173.3 | -75.8 | -30.6 | 0 | 0 | 0 | 112 | L243 H244 Y272 Y279 L280 K285 R286 I287 | L243-D283 HydrophobicContact CD1-CB 3.92Å; H244-D283 IonicContact CE1-OD1 2.73Å; H244-D283 IonicContact CE1-OD2 3.98Å; H244-D283 PolarHBondContact CE1-OD2 2.99Å; H244-D283 VanDerWaalsContact CE1-OD2 3.32Å; H244-D283 IonicContact NE2-OD1 2.67Å; Y272-D283 VanDerWaalsContact CE1-OD2 3.27Å; Y272-D283 WeakPolarHBondContact CE1-OD2 3.43Å; Y272-D283 VanDerWaalsContact CZ-OD2 3.28Å; Y272-D283 PolarHBondContact OH-OD2 3.05Å; Y279-D283 PolarHBondContact O-N 3.49Å; L280-D283 PolarHBondContact O-N 2.85Å; D283-K285 PolarHBondContact O-N 3.1Å; D283-R286 WeakPolarHBondContact O-CB 3.2Å; D283-R286 PolarHBondContact O-N 3.49Å; D283-R286 VanDerWaalsContact O-N 3.15Å; D283-R286 IonicContact OD1-CZ 2.86Å; D283-R286 IonicContact OD1-NE 3.87Å; D283-R286 IonicContact OD1-NH1 3.02Å; D283-R286 PolarHBondContact OD1-NH1 3.28Å; D283-R286 IonicContact OD1-NH2 3.96Å; D283-R286 PolarHBondContact OD1-NH2 3.07Å; D283-I287 WeakPolarHBondContact O-CG1 3.38Å; D283-I287 PolarHBondContact O-N 3.19Å; D283-I287 VanDerWaalsContact O-N 3.17Å |
| 284 | V | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 172 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | L257 L280 R286 I287 Y288 L296 L297 | L257-V284 HydrophobicContact CD1-CG2 3.93Å; L280-V284 HydrophobicContact CD1-CG2 4.05Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CB 3.48Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.24Å; V284-R286 PolarHBondContact O-N 3.42Å; V284-I287 PolarHBondContact O-N 2.93Å; V284-Y288 HydrophobicContact CB-CD2 4.33Å; V284-Y288 HydrophobicContact CG1-CD2 3.78Å; V284-Y288 HydrophobicContact CG1-CE2 4.48Å; V284-Y288 WeakPolarHBondContact O-CB 3.34Å; V284-Y288 WeakPolarHBondContact O-CD2 3.4Å; V284-Y288 PolarHBondContact O-N 3.22Å; V284-L296 HydrophobicContact CG1-CB 4.07Å; V284-L296 HydrophobicContact CG1-CD1 4.41Å; V284-L297 HydrophobicContact CB-CD2 4.41Å; V284-L297 HydrophobicContact CG1-CD2 4.1Å; V284-L297 HydrophobicContact CG1-CG 4.45Å |
| 285 | K | 93.9 | Very high | 93.4 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -22 | 176.8 | -75 | 175.4 | -178.9 | 179.4 | 0 | 114.3 | S281 D282 D283 Y288 L297 | S281-K285 VanDerWaalsContact O-CG 3.31Å; S281-K285 WeakPolarHBondContact O-CG 3.3Å; S281-K285 PolarHBondContact O-N 3.17Å; D282-K285 PolarHBondContact O-N 2.57Å; D283-K285 PolarHBondContact O-N 3.1Å; K285-Y288 CarbonylContact C-O 3.57Å; K285-Y288 VanDerWaalsContact O-O 3.05Å; K285-L297 HydrophobicContact CD-CD1 4.1Å; K285-L297 HydrophobicContact CG-CD1 3.81Å; K285-L297 HydrophobicContact CG-CD2 4.39Å |
| 286 | R | 93.8 | Very high | 93.1 | Very high | 104 Ų | 104 | 52.3 Ų | 52.3 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.2 | -39.5 | 175.6 | -173.8 | -177.5 | 68 | -158.2 | 6 | 111.5 | L243 H244 D282 D283 V284 Y289 | L243-R286 PolarHBondContact O-NH2 3.12Å; L243-R286 VanDerWaalsContact O-NH2 3.1Å; H244-R286 PolarHBondContact CD2-NH2 3.45Å; H244-R286 PolarHBondContact CE1-NH2 3.27Å; H244-R286 PolarHBondContact NE2-NH1 3.39Å; H244-R286 VanDerWaalsContact NE2-NH1 3.14Å; H244-R286 PolarHBondContact NE2-NH2 2.94Å; D282-R286 PolarHBondContact O-N 3.16Å; D283-R286 WeakPolarHBondContact O-CB 3.2Å; D283-R286 PolarHBondContact O-N 3.49Å; D283-R286 VanDerWaalsContact O-N 3.15Å; D283-R286 IonicContact OD1-CZ 2.86Å; D283-R286 IonicContact OD1-NE 3.87Å; D283-R286 IonicContact OD1-NH1 3.02Å; D283-R286 PolarHBondContact OD1-NH1 3.28Å; D283-R286 IonicContact OD1-NH2 3.96Å; D283-R286 PolarHBondContact OD1-NH2 3.07Å; V284-R286 PolarHBondContact O-N 3.42Å; R286-Y289 PolarHBondContact O-OH 2.97Å |
| 287 | I | 92.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 18% | 0.179 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -89.5 | -34.4 | -175.7 | -59.2 | -44.7 | 0 | 0 | 0 | 112.3 | L243 I248 D283 V284 | L243-I287 HydrophobicContact CD2-CB 4.1Å; L243-I287 HydrophobicContact CD2-CG1 3.61Å; L243-I287 HydrophobicContact CD2-CG2 4.4Å; I248-I287 HydrophobicContact CD1-CD1 3.35Å; I248-I287 HydrophobicContact CD1-CG1 3.92Å; I248-I287 HydrophobicContact CD1-CG2 4.24Å; I248-I287 HydrophobicContact CG2-CG2 4.35Å; D283-I287 WeakPolarHBondContact O-CG1 3.38Å; D283-I287 PolarHBondContact O-N 3.19Å; D283-I287 VanDerWaalsContact O-N 3.17Å; V284-I287 PolarHBondContact O-N 2.93Å |
| 288 | Y | 91.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | trans | -112.2 | 147.8 | -174.9 | -57.7 | -77.7 | 0 | 0 | 0 | 111.3 | L243 V250 V253 Q254 V284 K285 Y292 A293 L296 | L243-Y288 HydrophobicContact CD2-CE2 4.35Å; V250-Y288 HydrophobicContact CG1-CD1 4.08Å; V250-Y288 HydrophobicContact CG1-CE1 3.28Å; V250-Y288 PolarHBondContact O-OH 2.91Å; V253-Y288 VanDerWaalsContact CB-OH 3.24Å; V253-Y288 WeakPolarHBondContact CB-OH 3.3Å; V253-Y288 HydrophobicContact CG1-CE2 4.12Å; V253-Y288 WeakPolarHBondContact CG1-OH 3.47Å; Q254-Y288 PolarHBondContact N-OH 3.36Å; V284-Y288 HydrophobicContact CB-CD2 4.33Å; V284-Y288 HydrophobicContact CG1-CD2 3.78Å; V284-Y288 HydrophobicContact CG1-CE2 4.48Å; V284-Y288 WeakPolarHBondContact O-CB 3.34Å; V284-Y288 WeakPolarHBondContact O-CD2 3.4Å; V284-Y288 PolarHBondContact O-N 3.22Å; K285-Y288 CarbonylContact C-O 3.57Å; K285-Y288 VanDerWaalsContact O-O 3.05Å; Y288-Y292 AromaticContact CD1-CD1 3.65Å; Y288-Y292 HydrophobicContact CD1-CD1 3.65Å; Y288-Y292 AromaticContact CD1-CE1 3.12Å; Y288-Y292 HydrophobicContact CD1-CE1 3.12Å; Y288-Y292 HydrophobicContact CE1-CD1 4.36Å; Y288-Y292 AromaticContact CE1-CE1 3.41Å; Y288-Y292 HydrophobicContact CE1-CE1 3.41Å; Y288-Y292 VanDerWaalsContact CE1-CE1 3.41Å; Y288-Y292 AromaticContact CE1-CZ 3.92Å; Y288-Y292 HydrophobicContact CG-CD1 4.4Å; Y288-Y292 HydrophobicContact CG-CE1 4.17Å; Y288-A293 WeakPolarHBondContact O-CB 3.19Å; Y288-L296 HydrophobicContact CD1-CD1 3.75Å; Y288-L296 HydrophobicContact CD2-CD1 3.69Å; Y288-L296 HydrophobicContact CE1-CD1 3.74Å; Y288-L296 HydrophobicContact CE2-CD1 3.82Å; Y288-L296 HydrophobicContact CG-CD1 3.65Å | ||
| 289 | Y | 90 | Very high | 92.4 | Very high | 174 Ų | 174 | 48.6 Ų | 48.6 | 68% | 0.682 | 23% | 0.233 | S | C | * | . | trans | -127.9 | 153 | -175 | -51.9 | -74.6 | 0 | 0 | 0 | 113.2 | R286 A293 | R286-Y289 PolarHBondContact O-OH 2.97Å; Y289-A293 PolarHBondContact O-N 3.44Å | ||
| 290 | G | 89.5 | Confident | 92 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | 59.7 | -147.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y292 A293 D294 | G290-Y292 PolarHBondContact O-N 3.2Å; G290-A293 WeakPolarHBondContact O-CB 3.46Å; G290-A293 PolarHBondContact O-N 3.49Å; G290-D294 PolarHBondContact O-N 3.08Å; G290-D294 VanDerWaalsContact O-N 3.08Å |
| 291 | E | 87.3 | Confident | 91.1 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53.4 | -30.5 | -177.8 | -68.5 | 165.4 | -171.9 | 0 | 0 | 113.2 | K48 D294 A295 | K48-E291 IonicContact NZ-OE1 2.99Å; K48-E291 PolarHBondContact NZ-OE1 3.02Å; K48-E291 IonicContact NZ-OE2 2.76Å; K48-E291 PolarHBondContact NZ-OE2 3.35Å; E291-D294 PolarHBondContact O-N 3.41Å; E291-A295 WeakPolarHBondContact O-CB 3.32Å; E291-A295 PolarHBondContact O-N 3.26Å |
| 292 | Y | 90.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 7% | 0.071 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.7 | -42.7 | 178.3 | 179.2 | -125.4 | 0 | 0 | 0 | 112 | L51 M52 L55 Q254 Y288 G290 D294 A295 L296 | L51-Y292 HydrophobicContact CB-CD1 3.9Å; L51-Y292 HydrophobicContact CB-CD2 4.38Å; L51-Y292 HydrophobicContact CB-CE1 3.47Å; L51-Y292 VanDerWaalsContact CB-CE1 3.47Å; L51-Y292 HydrophobicContact CB-CE2 4.06Å; L51-Y292 HydrophobicContact CB-CG 4.33Å; L51-Y292 HydrophobicContact CD1-CD1 4.17Å; L51-Y292 HydrophobicContact CD1-CE1 3.64Å; L51-Y292 HydrophobicContact CG-CE1 4.07Å; M52-Y292 HydrophobicContact SD-CD2 4.01Å; L55-Y292 HydrophobicContact CB-CD2 4.48Å; L55-Y292 HydrophobicContact CB-CE2 3.94Å; L55-Y292 HydrophobicContact CD2-CD2 4Å; L55-Y292 HydrophobicContact CD2-CE2 3.89Å; L55-Y292 HydrophobicContact CG-CE2 4.46Å; Q254-Y292 PolarHBondContact OE1-OH 2.71Å; Y288-Y292 AromaticContact CD1-CD1 3.65Å; Y288-Y292 HydrophobicContact CD1-CD1 3.65Å; Y288-Y292 AromaticContact CD1-CE1 3.12Å; Y288-Y292 HydrophobicContact CD1-CE1 3.12Å; Y288-Y292 HydrophobicContact CE1-CD1 4.36Å; Y288-Y292 AromaticContact CE1-CE1 3.41Å; Y288-Y292 HydrophobicContact CE1-CE1 3.41Å; Y288-Y292 VanDerWaalsContact CE1-CE1 3.41Å; Y288-Y292 AromaticContact CE1-CZ 3.92Å; Y288-Y292 HydrophobicContact CG-CD1 4.4Å; Y288-Y292 HydrophobicContact CG-CE1 4.17Å; G290-Y292 PolarHBondContact O-N 3.2Å; Y292-D294 VanDerWaalsContact C-N 3.32Å; Y292-D294 PolarHBondContact O-N 2.88Å; Y292-A295 PolarHBondContact O-N 3.07Å; Y292-L296 HydrophobicContact CE1-CD1 4.11Å; Y292-L296 HydrophobicContact CE2-CD1 4.25Å; Y292-L296 HydrophobicContact CE2-CD2 4.32Å; Y292-L296 HydrophobicContact CE2-CG 4.22Å; Y292-L296 WeakPolarHBondContact O-CG 3.05Å; Y292-L296 PolarHBondContact O-N 3.24Å; Y292-L296 VanDerWaalsContact O-N 3.08Å |
| 293 | A | 92.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y288 Y289 G290 A295 L296 L297 | Y288-A293 WeakPolarHBondContact O-CB 3.19Å; Y289-A293 PolarHBondContact O-N 3.44Å; G290-A293 WeakPolarHBondContact O-CB 3.46Å; G290-A293 PolarHBondContact O-N 3.49Å; A293-A295 VanDerWaalsContact C-N 3.28Å; A293-A295 PolarHBondContact O-N 3.2Å; A293-L296 PolarHBondContact O-N 2.97Å; A293-L297 WeakPolarHBondContact O-CB 3.14Å; A293-L297 WeakPolarHBondContact O-CG 3.17Å; A293-L297 PolarHBondContact O-N 3.35Å |
| 294 | D | 91.9 | Very high | 88.1 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 179 | -66.8 | -30.8 | 0 | 0 | 0 | 112.5 | G290 E291 Y292 L297 K298 | G290-D294 PolarHBondContact O-N 3.08Å; G290-D294 VanDerWaalsContact O-N 3.08Å; E291-D294 PolarHBondContact O-N 3.41Å; Y292-D294 VanDerWaalsContact C-N 3.32Å; Y292-D294 PolarHBondContact O-N 2.88Å; D294-L297 PolarHBondContact O-N 2.9Å; D294-K298 WeakPolarHBondContact O-CG 3.46Å; D294-K298 PolarHBondContact O-N 3.43Å; D294-K298 VanDerWaalsContact O-N 3.15Å |
| 295 | A | 92.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 M52 L55 E291 Y292 A293 L297 K298 | L18-A295 HydrophobicContact CD1-CB 3.76Å; L18-A295 HydrophobicContact CD2-CB 4.44Å; M52-A295 HydrophobicContact CE-CB 4.3Å; M52-A295 HydrophobicContact SD-CB 4.41Å; L55-A295 HydrophobicContact CD2-CB 3.69Å; E291-A295 WeakPolarHBondContact O-CB 3.32Å; E291-A295 PolarHBondContact O-N 3.26Å; Y292-A295 PolarHBondContact O-N 3.07Å; A293-A295 VanDerWaalsContact C-N 3.28Å; A293-A295 PolarHBondContact O-N 3.2Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 3.38Å; A295-K298 WeakPolarHBondContact O-CB 3.33Å; A295-K298 PolarHBondContact O-N 3.31Å |
| 296 | L | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 176.8 | -64.8 | 178.9 | 0 | 0 | 0 | 112 | L55 Q254 L257 V284 Y288 Y292 A293 K298 L299 | L55-L296 HydrophobicContact CD1-CD2 4.28Å; L55-L296 HydrophobicContact CD2-CD2 4.34Å; Q254-L296 HydrophobicContact CB-CD2 4.36Å; Q254-L296 HydrophobicContact CG-CD2 4.09Å; L257-L296 HydrophobicContact CD1-CB 4.31Å; L257-L296 HydrophobicContact CD1-CD1 4.42Å; L257-L296 HydrophobicContact CD1-CD2 4.45Å; V284-L296 HydrophobicContact CG1-CB 4.07Å; V284-L296 HydrophobicContact CG1-CD1 4.41Å; Y288-L296 HydrophobicContact CD1-CD1 3.75Å; Y288-L296 HydrophobicContact CD2-CD1 3.69Å; Y288-L296 HydrophobicContact CE1-CD1 3.74Å; Y288-L296 HydrophobicContact CE2-CD1 3.82Å; Y288-L296 HydrophobicContact CG-CD1 3.65Å; Y292-L296 HydrophobicContact CE1-CD1 4.11Å; Y292-L296 HydrophobicContact CE2-CD1 4.25Å; Y292-L296 HydrophobicContact CE2-CD2 4.32Å; Y292-L296 HydrophobicContact CE2-CG 4.22Å; Y292-L296 WeakPolarHBondContact O-CG 3.05Å; Y292-L296 PolarHBondContact O-N 3.24Å; Y292-L296 VanDerWaalsContact O-N 3.08Å; A293-L296 PolarHBondContact O-N 2.97Å; L296-K298 VanDerWaalsContact C-N 3.26Å; L296-K298 PolarHBondContact O-N 3.23Å; L296-L299 HydrophobicContact CD2-CD1 4.17Å; L296-L299 WeakPolarHBondContact O-CB 3.21Å; L296-L299 PolarHBondContact O-N 3.31Å; L296-L299 VanDerWaalsContact O-N 3.14Å |
| 297 | L | 92.6 | Very high | 83.8 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.1 | -26 | 176.2 | -67.4 | 172.2 | 0 | 0 | 0 | 113.1 | V284 K285 A293 D294 A295 L299 L300 | V284-L297 HydrophobicContact CB-CD2 4.41Å; V284-L297 HydrophobicContact CG1-CD2 4.1Å; V284-L297 HydrophobicContact CG1-CG 4.45Å; K285-L297 HydrophobicContact CD-CD1 4.1Å; K285-L297 HydrophobicContact CG-CD1 3.81Å; K285-L297 HydrophobicContact CG-CD2 4.39Å; A293-L297 WeakPolarHBondContact O-CB 3.14Å; A293-L297 WeakPolarHBondContact O-CG 3.17Å; A293-L297 PolarHBondContact O-N 3.35Å; D294-L297 PolarHBondContact O-N 2.9Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 3.38Å; L297-L299 VanDerWaalsContact C-N 3.32Å; L297-L300 HydrophobicContact CD2-CD1 3.69Å; L297-L300 PolarHBondContact O-N 3.45Å |
| 298 | K | 91.7 | Very high | 82.6 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.1 | -35 | 172.1 | -74.5 | 170.1 | 179.5 | 171.9 | 0 | 111.4 | N15 L18 D294 A295 L296 L300 K301 | N15-K298 PolarHBondContact OD1-NZ 2.99Å; L18-K298 HydrophobicContact CD1-CD 4.02Å; D294-K298 WeakPolarHBondContact O-CG 3.46Å; D294-K298 PolarHBondContact O-N 3.43Å; D294-K298 VanDerWaalsContact O-N 3.15Å; A295-K298 WeakPolarHBondContact O-CB 3.33Å; A295-K298 PolarHBondContact O-N 3.31Å; L296-K298 VanDerWaalsContact C-N 3.26Å; L296-K298 PolarHBondContact O-N 3.23Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 PolarHBondContact O-N 3.05Å; K298-K301 PolarHBondContact O-N 2.91Å |
| 299 | L | 89.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 175.6 | -59.8 | 176.7 | 0 | 0 | 0 | 111.9 | L18 L258 L265 L296 L297 K301 K302 | L18-L299 HydrophobicContact CD2-CD2 3.76Å; L18-L299 HydrophobicContact CD2-CG 4.09Å; L258-L299 HydrophobicContact CD1-CD1 4.33Å; L258-L299 HydrophobicContact CD1-CD2 4.32Å; L265-L299 HydrophobicContact CD2-CB 4.28Å; L296-L299 HydrophobicContact CD2-CD1 4.17Å; L296-L299 WeakPolarHBondContact O-CB 3.21Å; L296-L299 PolarHBondContact O-N 3.31Å; L296-L299 VanDerWaalsContact O-N 3.14Å; L297-L299 VanDerWaalsContact C-N 3.32Å; L299-K301 PolarHBondContact O-N 2.99Å; L299-K302 PolarHBondContact O-N 2.99Å |
| 300 | L | 84.8 | Confident | 80.8 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.3 | 178 | -64.2 | 170.7 | 0 | 0 | 0 | 113.8 | L257 L265 L280 L297 K298 | L257-L300 HydrophobicContact CD2-CD2 4.22Å; L265-L300 HydrophobicContact CD1-CD2 3.8Å; L265-L300 HydrophobicContact CD2-CD2 3.78Å; L265-L300 HydrophobicContact CD2-CG 4.4Å; L265-L300 HydrophobicContact CG-CD2 3.7Å; L280-L300 HydrophobicContact CD2-CD2 3.64Å; L280-L300 HydrophobicContact CG-CD2 4.03Å; L297-L300 HydrophobicContact CD2-CD1 3.69Å; L297-L300 PolarHBondContact O-N 3.45Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 PolarHBondContact O-N 3.05Å |
| 301 | K | 78.8 | Confident | 80.1 | Confident | 171 Ų | 171 | 60 Ų | 60 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.1 | -175.5 | -66.1 | 177.5 | 178.5 | 178.7 | 0 | 113.5 | K298 L299 | K298-K301 PolarHBondContact O-N 2.91Å; L299-K301 PolarHBondContact O-N 2.99Å |
| 302 | K | 77.2 | Confident | 79.7 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -62.8 | 140.7 | 176.6 | -73.7 | -169.9 | 176.8 | -176.9 | 0 | 110.6 | L18 S20 L299 | L18-K302 WeakPolarHBondContact O-CE 3.33Å; L18-K302 PolarHBondContact O-NZ 2.81Å; S20-K302 PolarHBondContact O-NZ 3.03Å; L299-K302 PolarHBondContact O-N 2.99Å |
| 303 | E | 69.4 | Low | 79.1 | Confident | 186 Ų | 186 | 54.6 Ų | 54.6 | 87% | 0.869 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 138.4 | 170.1 | -69.3 | -171.8 | 164.1 | 0 | 0 | 109.9 | ||
| 304 | E | 71.5 | Confident | 78.1 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 29% | 0.285 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 132.5 | 177.3 | -59.6 | -179 | 142.6 | 0 | 0 | 109.9 | D264 H266 T267 P306 | D264-E304 WeakPolarHBondContact CA-OE1 3.5Å; D264-E304 VanDerWaalsContact O-OE1 3.07Å; H266-E304 HydrophobicContact CB-CG 3.73Å; H266-E304 WeakPolarHBondContact CB-OE1 3.36Å; H266-E304 PolarHBondContact N-OE1 2.73Å; T267-E304 WeakPolarHBondContact CA-OE1 3.39Å; T267-E304 WeakPolarHBondContact CB-OE1 3.41Å; T267-E304 PolarHBondContact N-OE1 3.48Å; T267-E304 VanDerWaalsContact OG1-CD 3.25Å; T267-E304 PolarHBondContact OG1-OE1 3.12Å; T267-E304 PolarHBondContact OG1-OE2 3.24Å; E304-P306 WeakPolarHBondContact O-CD 3.42Å |
| 305 | I | 61.8 | Low | 76.9 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 55% | 0.554 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 121 | 171 | -57.3 | 174.9 | 0 | 0 | 0 | 107.4 | D307 | I305-D307 PolarHBondContact O-N 3.14Š|
| 306 | P | 62.5 | Low | 75.4 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | trans | -67.5 | 94.3 | 177.9 | -19.1 | 32.6 | 0 | 0 | 0 | 111.7 | E304 | E304-P306 WeakPolarHBondContact O-CD 3.42Š| ||
| 307 | D | 67.3 | Low | 73.5 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | trans | -112.1 | 133.1 | 166.2 | -178.3 | 3.8 | 0 | 0 | 0 | 109.1 | I305 Y309 Q310 R311 | I305-D307 PolarHBondContact O-N 3.14Å; D307-Y309 PolarHBondContact OD1-N 3.16Å; D307-Y309 VanDerWaalsContact OD1-N 3.09Å; D307-Q310 WeakPolarHBondContact O-CG 3.26Å; D307-Q310 PolarHBondContact O-N 2.98Å; D307-R311 PolarHBondContact OD2-N 3.43Å; D307-R311 IonicContact OD2-NH1 2.84Å | ||
| 308 | I | 67 | Low | 71.4 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -71.4 | -37.5 | -178.9 | -72.2 | 170.8 | 0 | 0 | 0 | 111.6 | V148 P150 F188 Q310 | V148-I308 HydrophobicContact CB-CD1 3.38Å; V148-I308 HydrophobicContact CG1-CD1 3.56Å; V148-I308 WeakPolarHBondContact O-CD1 3.25Å; P150-I308 HydrophobicContact CG-CG2 3.69Å; F188-I308 HydrophobicContact CZ-CG2 4.4Å; I308-Q310 VanDerWaalsContact C-N 3.32Å |
| 309 | Y | 70.9 | Confident | 68.9 | Low | 13 Ų | 13 | 71.9 Ų | 71.9 | 5% | 0.051 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -82.4 | -21.5 | 178.9 | -55.7 | -69.2 | 0 | 0 | 0 | 111.2 | W91 E136 P137 Q139 F188 D307 R311 | W91-Y309 HydrophobicContact CD2-CD1 4.39Å; W91-Y309 PolarHBondContact NE1-O 3Å; E136-Y309 HydrophobicContact CB-CE1 3.98Å; E136-Y309 HydrophobicContact CB-CE2 4.35Å; E136-Y309 HydrophobicContact CG-CD1 4.26Å; E136-Y309 HydrophobicContact CG-CD2 4.5Å; E136-Y309 HydrophobicContact CG-CE1 4.22Å; E136-Y309 HydrophobicContact CG-CE2 4.44Å; E136-Y309 HydrophobicContact CG-CG 4.41Å; E136-Y309 WeakPolarHBondContact OE2-CE2 3.46Å; P137-Y309 PolarHBondContact O-OH 3.11Å; Q139-Y309 WeakPolarHBondContact CG-OH 3.18Å; Q139-Y309 PolarHBondContact NE2-OH 3.3Å; F188-Y309 HydrophobicContact CE2-CD1 4.16Å; F188-Y309 HydrophobicContact CE2-CE1 4.15Å; F188-Y309 HydrophobicContact CZ-CD1 4.25Å; F188-Y309 HydrophobicContact CZ-CE1 4.48Å; D307-Y309 PolarHBondContact OD1-N 3.16Å; D307-Y309 VanDerWaalsContact OD1-N 3.09Å; Y309-R311 VanDerWaalsContact C-N 3.34Å; Y309-R311 PolarHBondContact O-N 3.06Å |
| 310 | Q | 73.1 | Confident | 66.6 | Low | 49 Ų | 49 | 78.9 Ų | 78.9 | 23% | 0.229 | 42% | 0.422 | C | S | . | . | trans | 51.7 | 56.1 | -180 | -70.1 | -172.1 | -27.4 | 0 | 0 | 109.6 | K231 I263 D307 I308 | K231-Q310 VanDerWaalsContact CD-OE1 3.26Å; K231-Q310 PolarHBondContact NZ-O 3.03Å; I263-Q310 HydrophobicContact CG2-CB 3.52Å; I263-Q310 HydrophobicContact CG2-CG 4.14Å; D307-Q310 WeakPolarHBondContact O-CG 3.26Å; D307-Q310 PolarHBondContact O-N 2.98Å; I308-Q310 VanDerWaalsContact C-N 3.32Å | ||
| 311 | R | 76.2 | Confident | 64 | Low | 47 Ų | 47 | 86.3 Ų | 86.3 | 18% | 0.177 | 46% | 0.462 | C | S | . | . | trans | -56.4 | 142.1 | -175.4 | -65.4 | -169.5 | -174.4 | 99.1 | -7.7 | 110.9 | E136 I263 D307 Y309 | E136-R311 IonicContact OE1-CZ 3.86Å; E136-R311 IonicContact OE1-NE 2.84Å; E136-R311 PolarHBondContact OE1-NE 3.41Å; E136-R311 IonicContact OE1-NH2 2.8Å; E136-R311 PolarHBondContact OE1-NH2 3.4Å; E136-R311 IonicContact OE2-CZ 3.68Å; E136-R311 IonicContact OE2-NH2 3.19Å; E136-R311 PolarHBondContact OE2-NH2 3.29Å; I263-R311 VanDerWaalsContact CD1-O 3.32Å; I263-R311 WeakPolarHBondContact CD1-O 3.39Å; I263-R311 WeakPolarHBondContact CG1-O 3.47Å; D307-R311 PolarHBondContact OD2-N 3.43Å; D307-R311 IonicContact OD2-NH1 2.84Å; Y309-R311 VanDerWaalsContact C-N 3.34Å; Y309-R311 PolarHBondContact O-N 3.06Å | ||
| 312 | S | 78 | Confident | 62 | Low | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -73.4 | -29.1 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | T63 D89 E94 | T63-S312 WeakPolarHBondContact CG2-O 3.26Å; D89-S312 PolarHBondContact OD2-OG 3.47Å; E94-S312 VanDerWaalsContact OE1-CA 3.24Å; E94-S312 WeakPolarHBondContact OE1-CA 3.39Å; E94-S312 WeakPolarHBondContact OE1-CB 3.06Å; E94-S312 PolarHBondContact OE1-N 2.96Å |
| 313 | I | 77.6 | Confident | 59.9 | Low | 13 Ų | 13 | 89 Ų | 89 | 7% | 0.067 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -109.7 | 114.3 | 175.9 | -56.8 | 175 | 0 | 0 | 0 | 107.5 | T63 L67 E94 Q97 V98 L315 | T63-I313 HydrophobicContact CG2-CG1 4.15Å; L67-I313 HydrophobicContact CD1-CD1 4.31Å; L67-I313 HydrophobicContact CD1-CG1 3.82Å; E94-I313 HydrophobicContact CB-CD1 4.06Å; E94-I313 HydrophobicContact CG-CB 4.2Å; E94-I313 HydrophobicContact CG-CD1 4.28Å; E94-I313 HydrophobicContact CG-CG1 4.36Å; E94-I313 PolarHBondContact OE1-N 3.44Å; Q97-I313 HydrophobicContact CB-CD1 4Å; V98-I313 HydrophobicContact CG2-CD1 3.97Å; I313-L315 PolarHBondContact O-N 3.44Å |
| 314 | P | 71.2 | Confident | 58.1 | Low | 40 Ų | 40 | 86.9 Ų | 86.9 | 26% | 0.26 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 138 | 176 | -20 | 28.5 | 0 | 0 | 0 | 111 | N22 E262 | N22-P314 HydrophobicContact CB-CG 4.36Å; E262-P314 WeakPolarHBondContact OE2-CG 3.45Å |
| 315 | L | 66.6 | Low | 56.3 | Low | 103 Ų | 103 | 92.2 Ų | 92.2 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 145.9 | 173.4 | -72.1 | 174.3 | 0 | 0 | 0 | 110.2 | I313 L317 | I313-L315 PolarHBondContact O-N 3.44Å; L315-L317 PolarHBondContact O-N 3.14Å |
| 316 | P | 61.2 | Low | 55.4 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 137.2 | 169.4 | -20.8 | 30.4 | 0 | 0 | 0 | 109.3 | ||
| 317 | L | 55.3 | Low | 55 | Low | 94 Ų | 94 | 94.4 Ų | 94.4 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 133.3 | 169.2 | -74.8 | 166.6 | 0 | 0 | 0 | 107.8 | A23 E24 L315 | A23-L317 HydrophobicContact CB-CG 4.48Å; E24-L317 HydrophobicContact CG-CD1 3.88Å; L315-L317 PolarHBondContact O-N 3.14Å |
| 318 | P | 48.1 | Very low | 54.4 | Low | 103 Ų | 103 | 96.6 Ų | 96.6 | 67% | 0.669 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -47.9 | 141 | 166.4 | -22.7 | 31.2 | 0 | 0 | 0 | 107.8 | L320 | P318-L320 PolarHBondContact O-N 2.76Š|
| 319 | P | 39.3 | Very low | 53.7 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 77% | 0.773 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 126.4 | 172.5 | -21.8 | 30 | 0 | 0 | 0 | 107.1 | L321 | P319-L321 PolarHBondContact O-N 2.99Š|
| 320 | L | 41 | Very low | 52.7 | Low | 148 Ų | 148 | 103.9 Ų | 103.9 | 78% | 0.775 | 59% | 0.587 | S | S | * | * | trans | -55.1 | 102.3 | 165.1 | -73 | 170.6 | 0 | 0 | 0 | 104.1 | P318 H322 | P318-L320 PolarHBondContact O-N 2.76Å; L320-H322 PolarHBondContact O-N 3.49Å | ||
| 321 | L | 31.2 | Very low | 51.4 | Low | 169 Ų | 169 | 107.4 Ų | 107.4 | 89% | 0.885 | 61% | 0.609 | S | S | * | * | trans | -56.2 | 100.2 | 161.1 | -90.1 | 159.4 | 0 | 0 | 0 | 102 | P319 A323 | P319-L321 PolarHBondContact O-N 2.99Å; L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.33Å | ||
| 322 | H | 34.9 | Very low | 49.8 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 72% | 0.718 | 64% | 0.638 | S | S | * | * | trans | -52.8 | 109.9 | 166.9 | -71.9 | -81.6 | 0 | 0 | 0 | 103.4 | L320 I324 | L320-H322 PolarHBondContact O-N 3.49Å; H322-I324 HydrophobicContact CB-CD1 4.07Å; H322-I324 HydrophobicContact CB-CG1 3.65Å; H322-I324 PolarHBondContact O-N 3.4Å | ||
| 323 | A | 34.1 | Very low | 47.7 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 77.6 | 157 | 0 | 0 | 0 | 0 | 0 | 104.9 | L321 E325 | L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.33Å; A323-E325 PolarHBondContact O-N 3.42Å | ||
| 324 | I | 32.5 | Very low | 45.4 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -84.1 | 81.6 | 155.3 | -54.3 | 176.4 | 0 | 0 | 0 | 102.4 | H322 | H322-I324 HydrophobicContact CB-CD1 4.07Å; H322-I324 HydrophobicContact CB-CG1 3.65Å; H322-I324 PolarHBondContact O-N 3.4Å | ||
| 325 | E | 32.3 | Very low | 43.3 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -102.2 | 137.7 | 140.9 | -74.3 | -172.7 | 170.4 | 0 | 0 | 105.7 | A323 | A323-E325 PolarHBondContact O-N 3.42Š| ||
| 326 | P | 43.1 | Very low | 41.2 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 100% | 1.273 | 79% | 0.788 | S | S | * | * | trans | -57.8 | 0 | -166.6 | 22.2 | -33.6 | 0 | 0 | 0 | 115.2 |
Retrieved 326 of 326 residues in 83.4 ms
(Link to these results)