| 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 | 56.2 | Low | 84.2 | Confident | 195 Ų | 195 | 81.5 Ų | 81.5 | 96% | 0.961 | 45% | 0.451 | S | S | * | . | 0 | 126.5 | 0 | -74.8 | 168.7 | 160.5 | 0 | 0 | 106.9 | I40 | M1-I40 HydrophobicContact CB-CD1 4.28Å; M1-I40 HydrophobicContact CB-CG1 4.21Å | |||
| 2 | A | 74.1 | Confident | 84.7 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 74% | 0.744 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 131.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I40 | A2-I40 WeakPolarHBondContact O-CD1 3.41Š|
| 3 | Y | 80.1 | Confident | 85.3 | Confident | 154 Ų | 154 | 73.3 Ų | 73.3 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 135.2 | 171.3 | -78.7 | -86.8 | 0 | 0 | 0 | 109.4 | I40 | Y3-I40 HydrophobicContact CD1-CG2 4.22Å; Y3-I40 HydrophobicContact CE1-CG2 4.07Å |
| 4 | P | 81.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 7% | 0.065 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 142.7 | 177.6 | 27.9 | -34.2 | 0 | 0 | 0 | 110 | L9 F38 L42 | P4-L9 HydrophobicContact CB-CD2 4.1Å; P4-L9 HydrophobicContact CB-CG 4.16Å; P4-L9 HydrophobicContact CG-CD1 4.33Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.02Å; P4-F38 HydrophobicContact CB-CD1 3.75Å; P4-F38 HydrophobicContact CB-CD2 4.27Å; P4-F38 HydrophobicContact CB-CE1 3.68Å; P4-F38 HydrophobicContact CB-CE2 4.22Å; P4-F38 HydrophobicContact CB-CG 4.05Å; P4-F38 HydrophobicContact CB-CZ 3.93Å; P4-F38 HydrophobicContact CG-CD1 4.29Å; P4-F38 HydrophobicContact CG-CD2 4.23Å; P4-F38 HydrophobicContact CG-CG 4.1Å; P4-L42 HydrophobicContact CG-CD2 4.29Å |
| 5 | S | 87.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 154.5 | 175.1 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | S7 Q8 L9 | S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S5-S7 PolarHBondContact OG-OG 3.5Å; S5-Q8 WeakPolarHBondContact O-CB 3.23Å; S5-Q8 PolarHBondContact O-N 3.36Å; S5-Q8 WeakPolarHBondContact OG-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.06Å |
| 6 | D | 88.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -54.9 | -36.6 | -178.3 | -65 | 14.7 | 0 | 0 | 0 | 112.6 | L9 L10 K48 M52 | D6-L9 PolarHBondContact O-N 2.88Å; D6-L10 WeakPolarHBondContact O-CG 3.44Å; D6-L10 PolarHBondContact O-N 3.27Å; D6-K48 WeakPolarHBondContact OD1-CE 3.16Å; D6-K48 IonicContact OD1-NZ 3.94Å; D6-K48 PolarHBondContact OD1-NZ 3.08Å; D6-K48 WeakPolarHBondContact OD2-CE 3.38Å; D6-K48 IonicContact OD2-NZ 3.26Å; D6-K48 PolarHBondContact OD2-NZ 3.28Å; D6-M52 WeakPolarHBondContact O-CE 3.46Å |
| 7 | S | 90.5 | Very high | 86.4 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 53% | 0.531 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | S5 L10 T11 | S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S5-S7 PolarHBondContact OG-OG 3.5Å; S7-L10 PolarHBondContact O-N 2.85Å; S7-T11 PolarHBondContact O-N 2.81Å; S7-T11 PolarHBondContact O-OG1 2.84Å |
| 8 | Q | 91.1 | Very high | 86.4 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -41 | 176.6 | -69.5 | 178.9 | -3.1 | 0 | 0 | 111.4 | S5 K12 F38 | S5-Q8 WeakPolarHBondContact O-CB 3.23Å; S5-Q8 PolarHBondContact O-N 3.36Å; S5-Q8 WeakPolarHBondContact OG-CG 3.46Å; Q8-K12 PolarHBondContact O-N 3.44Å; Q8-K12 VanDerWaalsContact O-N 3.13Å; Q8-F38 HydrophobicContact CB-CE1 4.45Å; Q8-F38 HydrophobicContact CB-CZ 4.12Å |
| 9 | L | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.1 | -69.2 | 174.9 | 0 | 0 | 0 | 110.8 | P4 S5 D6 T11 K12 I13 L34 F38 L42 L49 M52 | P4-L9 HydrophobicContact CB-CD2 4.1Å; P4-L9 HydrophobicContact CB-CG 4.16Å; P4-L9 HydrophobicContact CG-CD1 4.33Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.02Å; S5-L9 PolarHBondContact O-N 3.06Å; D6-L9 PolarHBondContact O-N 2.88Å; L9-T11 PolarHBondContact O-N 2.93Å; L9-K12 PolarHBondContact O-N 2.99Å; L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.33Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.49Å; L9-L34 HydrophobicContact CD2-CD1 4.34Å; L9-L34 HydrophobicContact CD2-CD2 4.32Å; L9-F38 HydrophobicContact CD2-CD2 4.24Å; L9-F38 HydrophobicContact CD2-CE2 3.9Å; L9-L42 HydrophobicContact CD2-CD1 4.15Å; L9-L49 HydrophobicContact CD1-CD2 4.08Å; L9-L49 HydrophobicContact CD2-CD2 4.28Å; L9-M52 HydrophobicContact CB-CE 3.78Å |
| 10 | L | 91.8 | Very high | 86.2 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 177.5 | -75.5 | 175.2 | 0 | 0 | 0 | 112.6 | D6 S7 K12 I13 E14 M52 T56 | D6-L10 WeakPolarHBondContact O-CG 3.44Å; D6-L10 PolarHBondContact O-N 3.27Å; S7-L10 PolarHBondContact O-N 2.85Å; L10-K12 PolarHBondContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 2.63Å; L10-E14 PolarHBondContact O-N 3.43Å; L10-M52 HydrophobicContact CB-CE 4.31Å; L10-M52 HydrophobicContact CD1-CE 4.32Å; L10-M52 HydrophobicContact CD2-CB 3.84Å; L10-M52 HydrophobicContact CD2-CE 3.44Å; L10-M52 VanDerWaalsContact CD2-CE 3.44Å; L10-M52 HydrophobicContact CD2-CG 3.97Å; L10-M52 HydrophobicContact CG-CE 3.35Å; L10-T56 HydrophobicContact CD2-CG2 4.27Å |
| 11 | T | 92.4 | Very high | 86.1 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | -178.7 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | S7 L9 K15 | S7-T11 PolarHBondContact O-N 2.81Å; S7-T11 PolarHBondContact O-OG1 2.84Å; L9-T11 PolarHBondContact O-N 2.93Å; T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.31Å |
| 12 | K | 90.7 | Very high | 87.2 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.9 | -39.2 | 178.4 | -166.6 | 67.9 | -177.3 | -169.8 | 0 | 112.3 | Q8 L9 L10 E14 K15 I16 L34 H37 | Q8-K12 PolarHBondContact O-N 3.44Å; Q8-K12 VanDerWaalsContact O-N 3.13Å; L9-K12 PolarHBondContact O-N 2.99Å; L10-K12 PolarHBondContact O-N 3.11Å; K12-E14 VanDerWaalsContact C-N 3.33Å; K12-K15 PolarHBondContact O-N 3.42Å; K12-I16 HydrophobicContact CG-CD1 4.01Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.01Å; K12-L34 HydrophobicContact CB-CD2 3.75Å; K12-L34 HydrophobicContact CG-CD2 3.71Å; K12-H37 VanDerWaalsContact CE-CD2 3.42Å; K12-H37 WeakPolarHBondContact CE-CD2 3.37Å; K12-H37 PolarHBondContact NZ-CD2 3.19Å; K12-H37 PolarHBondContact NZ-NE2 3.39Å; K12-H37 VanDerWaalsContact NZ-NE2 3.18Å |
| 13 | I | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 173.3 | -70 | 163.2 | 0 | 0 | 0 | 109.8 | L9 L10 K15 I16 L17 V30 L34 L49 M52 I53 T56 | L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.33Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.49Å; L10-I13 PolarHBondContact O-N 2.63Å; I13-K15 PolarHBondContact O-N 2.83Å; I13-I16 PolarHBondContact O-N 3.24Å; I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.2Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.21Å; I13-V30 HydrophobicContact CG1-CG1 3.97Å; I13-V30 HydrophobicContact CG2-CG1 4.43Å; I13-L34 HydrophobicContact CD1-CD1 4.2Å; I13-L34 HydrophobicContact CG1-CD1 3.84Å; I13-L34 HydrophobicContact CG1-CD2 4.3Å; I13-L49 HydrophobicContact CD1-CD2 4.16Å; I13-M52 HydrophobicContact CD1-CB 3.95Å; I13-M52 HydrophobicContact CD1-CE 4.39Å; I13-I53 HydrophobicContact CD1-CG1 4.24Å; I13-I53 HydrophobicContact CG1-CG1 4.42Å; I13-I53 HydrophobicContact CG2-CG1 3.93Å; I13-T56 HydrophobicContact CG2-CG2 4.33Å |
| 14 | E | 91.2 | Very high | 87.6 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 179.8 | -173.5 | 174.8 | -172.1 | 0 | 0 | 111.9 | L10 K12 I16 L17 Q18 | L10-E14 PolarHBondContact O-N 3.43Å; K12-E14 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.13Å; E14-L17 PolarHBondContact O-N 2.86Å; E14-Q18 WeakPolarHBondContact O-CG 3.39Å; E14-Q18 PolarHBondContact O-N 2.92Å |
| 15 | K | 90.8 | Very high | 87.8 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.9 | -73.8 | -179.8 | 179.2 | -178.4 | 0 | 112.6 | T11 K12 I13 L17 Q18 D19 | T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.31Å; K12-K15 PolarHBondContact O-N 3.42Å; I13-K15 PolarHBondContact O-N 2.83Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.2Å; K15-Q18 PolarHBondContact O-N 3.33Å; K15-D19 PolarHBondContact O-N 2.82Å |
| 16 | I | 89.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 178.2 | -67.7 | 162.4 | 0 | 0 | 0 | 110.7 | K12 I13 E14 A20 A33 L34 | K12-I16 HydrophobicContact CG-CD1 4.01Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.01Å; I13-I16 PolarHBondContact O-N 3.24Å; E14-I16 PolarHBondContact O-N 3.13Å; I16-A20 WeakPolarHBondContact O-CB 3.06Å; I16-A20 PolarHBondContact O-N 2.87Å; I16-A33 HydrophobicContact CD1-CB 3.74Å; I16-L34 HydrophobicContact CD1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CG 4.5Å |
| 17 | L | 88.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -73.3 | -24.9 | 179.3 | -69.1 | -179.4 | 0 | 0 | 0 | 113.7 | I13 E14 K15 V25 V30 T56 L57 L60 | I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.2Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.21Å; E14-L17 PolarHBondContact O-N 2.86Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.2Å; L17-V25 HydrophobicContact CD2-CB 4.34Å; L17-V25 HydrophobicContact CD2-CG1 3.67Å; L17-V25 HydrophobicContact CD2-CG2 4.37Å; L17-V30 HydrophobicContact CD2-CG2 4.42Å; L17-T56 WeakPolarHBondContact CD1-OG1 3.46Å; L17-L57 HydrophobicContact CD1-CD2 3.98Å; L17-L57 HydrophobicContact CD1-CG 3.99Å; L17-L57 HydrophobicContact CD2-CD2 3.93Å; L17-L57 HydrophobicContact CD2-CG 4.44Å; L17-L57 HydrophobicContact CG-CD2 4.49Å; L17-L60 HydrophobicContact CB-CD1 3.93Å; L17-L60 HydrophobicContact CD1-CD1 4.2Å |
| 18 | Q | 86.2 | Confident | 87.8 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72 | -41.3 | 173.5 | -76.1 | 175.5 | 9.7 | 0 | 0 | 112.1 | E14 K15 | E14-Q18 WeakPolarHBondContact O-CG 3.39Å; E14-Q18 PolarHBondContact O-N 2.92Å; K15-Q18 PolarHBondContact O-N 3.33Å |
| 19 | D | 84.9 | Confident | 87.8 | Confident | 147 Ų | 147 | 77.2 Ų | 77.2 | 79% | 0.786 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -84.6 | -25.6 | -176.8 | -66.3 | -30.3 | 0 | 0 | 0 | 113.3 | K15 | K15-D19 PolarHBondContact O-N 2.82Å |
| 20 | A | 83.1 | Confident | 87.8 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 28% | 0.281 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -89.5 | 151.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I16 L22 V25 | I16-A20 WeakPolarHBondContact O-CB 3.06Å; I16-A20 PolarHBondContact O-N 2.87Å; A20-L22 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact O-N 3.14Å; A20-V25 HydrophobicContact CB-CG2 3.37Å |
| 21 | D | 83.9 | Confident | 87.7 | Confident | 102 Ų | 102 | 75 Ų | 75 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -70 | 107.5 | 171.7 | -178.8 | -4.2 | 0 | 0 | 0 | 110.3 | S23 Q24 V25 | D21-S23 PolarHBondContact O-N 3.4Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.91Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; D21-S23 PolarHBondContact OD2-OG 3.08Å; D21-Q24 PolarHBondContact O-N 3Å; D21-V25 WeakPolarHBondContact O-CG2 3.38Å; D21-V25 PolarHBondContact O-N 3.37Å; D21-V25 VanDerWaalsContact O-N 3.17Å | ||
| 22 | L | 80.8 | Confident | 87.7 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -23.7 | -178.5 | -75.4 | 80.5 | 0 | 0 | 0 | 113 | A20 Q24 L57 | A20-L22 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact O-N 3.14Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-L57 HydrophobicContact CD2-CD2 4.01Å; L22-L57 HydrophobicContact CG-CD2 4.29Å |
| 23 | S | 78.3 | Confident | 87.7 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 60% | 0.601 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.5 | 177.3 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | D21 | D21-S23 PolarHBondContact O-N 3.4Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.91Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; D21-S23 PolarHBondContact OD2-OG 3.08Å |
| 24 | Q | 82.6 | Confident | 87.6 | Confident | 143 Ų | 143 | 73.7 Ų | 73.7 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -11.4 | -177.5 | -59.9 | -59.8 | -40.7 | 0 | 0 | 113.1 | D21 L22 T26 | D21-Q24 PolarHBondContact O-N 3Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; Q24-T26 PolarHBondContact O-N 3.23Å |
| 25 | V | 86.2 | Confident | 87.6 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | trans | -71 | 118 | -179.2 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | L17 A20 D21 V30 | L17-V25 HydrophobicContact CD2-CB 4.34Å; L17-V25 HydrophobicContact CD2-CG1 3.67Å; L17-V25 HydrophobicContact CD2-CG2 4.37Å; A20-V25 HydrophobicContact CB-CG2 3.37Å; D21-V25 WeakPolarHBondContact O-CG2 3.38Å; D21-V25 PolarHBondContact O-N 3.37Å; D21-V25 VanDerWaalsContact O-N 3.17Å; V25-V30 HydrophobicContact CG1-CG2 3.39Å | ||
| 26 | T | 88.4 | Confident | 87.6 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | trans | -110.8 | 154.3 | 171.1 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | Q24 K28 K29 V30 | Q24-T26 PolarHBondContact O-N 3.23Å; T26-K28 PolarHBondContact O-N 3.08Å; T26-K28 VanDerWaalsContact O-N 3.08Å; T26-K29 WeakPolarHBondContact O-CB 3.49Å; T26-K29 PolarHBondContact O-N 2.87Å; T26-K29 PolarHBondContact OG1-N 3.37Å; T26-V30 PolarHBondContact O-N 3.32Å; T26-V30 VanDerWaalsContact O-N 3.14Å | ||
| 27 | S | 88.8 | Confident | 87.5 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.5 | -31.3 | 177.3 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | R31 | S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 3.02Å |
| 28 | K | 90 | Very high | 87.5 | Confident | 164 Ų | 164 | 74.5 Ų | 74.5 | 71% | 0.713 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 174.6 | -172 | 177.7 | -179.4 | -179.8 | 0 | 112.2 | T26 S32 | T26-K28 PolarHBondContact O-N 3.08Å; T26-K28 VanDerWaalsContact O-N 3.08Å; K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3Å |
| 29 | K | 90.7 | Very high | 87.5 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.5 | -42.1 | 179.4 | -168.6 | 65.9 | 175 | -179.6 | 0 | 111.2 | T26 A33 | T26-K29 WeakPolarHBondContact O-CB 3.49Å; T26-K29 PolarHBondContact O-N 2.87Å; T26-K29 PolarHBondContact OG1-N 3.37Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.41Å |
| 30 | V | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | I13 L17 V25 T26 S32 A33 L34 I53 | I13-V30 HydrophobicContact CG1-CG1 3.97Å; I13-V30 HydrophobicContact CG2-CG1 4.43Å; L17-V30 HydrophobicContact CD2-CG2 4.42Å; V25-V30 HydrophobicContact CG1-CG2 3.39Å; T26-V30 PolarHBondContact O-N 3.32Å; T26-V30 VanDerWaalsContact O-N 3.14Å; V30-S32 PolarHBondContact O-N 2.96Å; V30-A33 PolarHBondContact O-N 2.94Å; V30-L34 HydrophobicContact CG1-CD1 4.15Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.14Å; V30-L34 PolarHBondContact O-N 3.44Å; V30-I53 HydrophobicContact CB-CD1 3.61Å; V30-I53 HydrophobicContact CB-CG1 4.27Å; V30-I53 HydrophobicContact CG1-CD1 3.66Å; V30-I53 HydrophobicContact CG1-CG1 3.91Å; V30-I53 HydrophobicContact CG2-CD1 4.09Å; V30-I53 HydrophobicContact CG2-CG1 4.46Å |
| 31 | R | 90.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 176.8 | -172.9 | -179 | -55.6 | 120.2 | 18.4 | 112 | S27 A33 L34 E35 L42 K46 L49 E50 | S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 3.02Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.31Å; R31-L34 WeakPolarHBondContact O-CB 3.08Å; R31-L34 PolarHBondContact O-N 3.37Å; R31-L34 VanDerWaalsContact O-N 3.08Å; R31-E35 WeakPolarHBondContact CD-OE1 3.15Å; R31-E35 HydrophobicContact CG-CG 4.28Å; R31-E35 VanDerWaalsContact CG-OE1 3.24Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 3.46Å; R31-L42 HydrophobicContact CG-CB 4.31Å; R31-K46 PolarHBondContact NH2-O 2.97Å; R31-L49 HydrophobicContact CB-CD1 4.39Å; R31-L49 HydrophobicContact CG-CD1 3.93Å; R31-E50 IonicContact NH2-OE1 2.63Å; R31-E50 PolarHBondContact NH2-OE1 3.11Å |
| 32 | S | 91.1 | Very high | 87.8 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 44% | 0.441 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | K28 V30 A36 | K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3Å; V30-S32 PolarHBondContact O-N 2.96Å; S32-A36 WeakPolarHBondContact O-CB 3.29Å; S32-A36 PolarHBondContact O-N 3.4Å |
| 33 | A | 90.4 | Very high | 87.9 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.9 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I16 K29 V30 R31 H37 | I16-A33 HydrophobicContact CD1-CB 3.74Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.41Å; V30-A33 PolarHBondContact O-N 2.94Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.31Å; A33-H37 PolarHBondContact O-N 3.19Å |
| 34 | L | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 173.9 | -67.9 | 169.8 | 0 | 0 | 0 | 111.5 | L9 K12 I13 I16 V30 R31 A36 H37 F38 L42 L49 | L9-L34 HydrophobicContact CD2-CD1 4.34Å; L9-L34 HydrophobicContact CD2-CD2 4.32Å; K12-L34 HydrophobicContact CB-CD2 3.75Å; K12-L34 HydrophobicContact CG-CD2 3.71Å; I13-L34 HydrophobicContact CD1-CD1 4.2Å; I13-L34 HydrophobicContact CG1-CD1 3.84Å; I13-L34 HydrophobicContact CG1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CG 4.5Å; V30-L34 HydrophobicContact CG1-CD1 4.15Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.14Å; V30-L34 PolarHBondContact O-N 3.44Å; R31-L34 WeakPolarHBondContact O-CB 3.08Å; R31-L34 PolarHBondContact O-N 3.37Å; R31-L34 VanDerWaalsContact O-N 3.08Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.03Å; L34-H37 PolarHBondContact O-N 3.26Å; L34-H37 VanDerWaalsContact O-N 3.08Å; L34-F38 HydrophobicContact CD2-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.58Å; L34-L42 HydrophobicContact CB-CD1 3.6Å; L34-L49 HydrophobicContact CD1-CD1 4.11Å; L34-L49 HydrophobicContact CD1-CD2 3.65Å; L34-L49 HydrophobicContact CD1-CG 4.49Å |
| 35 | E | 91.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 176.4 | -71.1 | 168 | 177.6 | 0 | 0 | 111 | R31 H37 N39 I40 L42 | R31-E35 WeakPolarHBondContact CD-OE1 3.15Å; R31-E35 HydrophobicContact CG-CG 4.28Å; R31-E35 VanDerWaalsContact CG-OE1 3.24Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 3.46Å; E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 PolarHBondContact O-N 2.91Å; E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; E35-L42 HydrophobicContact CG-CB 4.01Å; E35-L42 HydrophobicContact CG-CD1 4.25Å; E35-L42 HydrophobicContact CG-CG 4.31Å; E35-L42 PolarHBondContact OE1-N 3.02Å |
| 36 | A | 90.3 | Very high | 88.7 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.5 | -30.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S32 L34 | S32-A36 WeakPolarHBondContact O-CB 3.29Å; S32-A36 PolarHBondContact O-N 3.4Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.03Å |
| 37 | H | 87.8 | Confident | 88.8 | Confident | 98 Ų | 98 | 67 Ų | 67 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -81.3 | -42.4 | -179 | -170.9 | -89.4 | 0 | 0 | 0 | 112.5 | K12 A33 L34 E35 | K12-H37 VanDerWaalsContact CE-CD2 3.42Å; K12-H37 WeakPolarHBondContact CE-CD2 3.37Å; K12-H37 PolarHBondContact NZ-CD2 3.19Å; K12-H37 PolarHBondContact NZ-NE2 3.39Å; K12-H37 VanDerWaalsContact NZ-NE2 3.18Å; A33-H37 PolarHBondContact O-N 3.19Å; L34-H37 PolarHBondContact O-N 3.26Å; L34-H37 VanDerWaalsContact O-N 3.08Å; E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 PolarHBondContact O-N 2.91Å |
| 38 | F | 88.5 | Confident | 88.9 | Confident | 42 Ų | 42 | 68.8 Ų | 68.8 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -90.7 | -11.8 | -178.4 | -67.8 | -72.1 | 0 | 0 | 0 | 113 | P4 Q8 L9 L34 I40 | P4-F38 HydrophobicContact CB-CD1 3.75Å; P4-F38 HydrophobicContact CB-CD2 4.27Å; P4-F38 HydrophobicContact CB-CE1 3.68Å; P4-F38 HydrophobicContact CB-CE2 4.22Å; P4-F38 HydrophobicContact CB-CG 4.05Å; P4-F38 HydrophobicContact CB-CZ 3.93Å; P4-F38 HydrophobicContact CG-CD1 4.29Å; P4-F38 HydrophobicContact CG-CD2 4.23Å; P4-F38 HydrophobicContact CG-CG 4.1Å; Q8-F38 HydrophobicContact CB-CE1 4.45Å; Q8-F38 HydrophobicContact CB-CZ 4.12Å; L9-F38 HydrophobicContact CD2-CD2 4.24Å; L9-F38 HydrophobicContact CD2-CE2 3.9Å; L34-F38 HydrophobicContact CD2-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.58Å; F38-I40 HydrophobicContact CB-CB 4.48Å; F38-I40 HydrophobicContact CB-CD1 4.3Å; F38-I40 WeakPolarHBondContact O-CG1 3.34Å; F38-I40 PolarHBondContact O-N 2.99Å |
| 39 | N | 86.7 | Confident | 89 | Confident | 121 Ų | 121 | 61 Ų | 61 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.7 | -173.6 | -60.2 | -64.3 | 0 | 0 | 0 | 112.6 | E35 | E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.87Å |
| 40 | I | 84.9 | Confident | 89.1 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -129.8 | 136.2 | -178.8 | -64.3 | 160.8 | 0 | 0 | 0 | 107.6 | M1 A2 Y3 E35 F38 L42 | M1-I40 HydrophobicContact CB-CD1 4.28Å; M1-I40 HydrophobicContact CB-CG1 4.21Å; A2-I40 WeakPolarHBondContact O-CD1 3.41Å; Y3-I40 HydrophobicContact CD1-CG2 4.22Å; Y3-I40 HydrophobicContact CE1-CG2 4.07Å; E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; F38-I40 HydrophobicContact CB-CB 4.48Å; F38-I40 HydrophobicContact CB-CD1 4.3Å; F38-I40 WeakPolarHBondContact O-CG1 3.34Å; F38-I40 PolarHBondContact O-N 2.99Å; I40-L42 PolarHBondContact O-N 3.33Å |
| 41 | D | 88.4 | Confident | 89.2 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 35% | 0.345 | S | S | * | . | trans | -71 | 117.3 | 174.1 | -176.6 | 10.2 | 0 | 0 | 0 | 110.2 | S43 | D41-S43 WeakPolarHBondContact OD1-CB 3.39Å; D41-S43 PolarHBondContact OD1-N 3.01Å | ||
| 42 | L | 84.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -103.5 | 17.5 | -180 | -68.4 | 162.4 | 0 | 0 | 0 | 111.4 | P4 L9 R31 L34 E35 I40 T44 E45 K46 L49 | P4-L42 HydrophobicContact CG-CD2 4.29Å; L9-L42 HydrophobicContact CD2-CD1 4.15Å; R31-L42 HydrophobicContact CG-CB 4.31Å; L34-L42 HydrophobicContact CB-CD1 3.6Å; E35-L42 HydrophobicContact CG-CB 4.01Å; E35-L42 HydrophobicContact CG-CD1 4.25Å; E35-L42 HydrophobicContact CG-CG 4.31Å; E35-L42 PolarHBondContact OE1-N 3.02Å; I40-L42 PolarHBondContact O-N 3.33Å; L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 3.12Å; L42-E45 PolarHBondContact O-N 3.49Å; L42-K46 PolarHBondContact O-N 3.34Å; L42-L49 HydrophobicContact CB-CD1 3.83Å; L42-L49 HydrophobicContact CD1-CD1 4.22Å; L42-L49 HydrophobicContact CG-CD1 4.5Å | ||
| 43 | S | 83.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -59.4 | -35.9 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | D41 K46 | D41-S43 WeakPolarHBondContact OD1-CB 3.39Å; D41-S43 PolarHBondContact OD1-N 3.01Å; S43-K46 VanDerWaalsContact O-CB 3.28Å; S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 3.18Å |
| 44 | T | 87.8 | Confident | 89.3 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 72% | 0.718 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -37.2 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | L42 K46 | L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 3.12Å; T44-K46 VanDerWaalsContact C-N 3.25Å; T44-K46 PolarHBondContact O-N 3.16Å |
| 45 | E | 85.3 | Confident | 89.3 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 22.4 | -178.8 | -60.8 | -167.3 | 168.8 | 0 | 0 | 113 | L42 S47 K48 L49 | L42-E45 PolarHBondContact O-N 3.49Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 2.83Å; E45-K48 HydrophobicContact CB-CB 4.43Å; E45-K48 PolarHBondContact O-N 3.38Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-L49 PolarHBondContact O-N 3.03Å |
| 46 | K | 90 | Very high | 89.2 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -49.2 | -48.3 | -179.5 | 153.4 | 158.7 | -159.4 | -159.8 | 0 | 113.2 | R31 L42 S43 T44 L49 E50 | R31-K46 PolarHBondContact NH2-O 2.97Å; L42-K46 PolarHBondContact O-N 3.34Å; S43-K46 VanDerWaalsContact O-CB 3.28Å; S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 3.18Å; T44-K46 VanDerWaalsContact C-N 3.25Å; T44-K46 PolarHBondContact O-N 3.16Å; K46-L49 PolarHBondContact O-N 3.21Å; K46-E50 WeakPolarHBondContact CE-OE1 3.33Å; K46-E50 WeakPolarHBondContact CG-OE1 2.95Å; K46-E50 IonicContact NZ-OE1 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.29Å; K46-E50 WeakPolarHBondContact O-CG 3.18Å; K46-E50 PolarHBondContact O-N 3.49Å |
| 47 | S | 91.9 | Very high | 89.1 | Confident | 86 Ų | 86 | 63 Ų | 63 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.9 | -40.7 | -177.6 | -58.6 | 0 | 0 | 0 | 0 | 112 | E45 E50 T51 | E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 2.83Å; S47-E50 PolarHBondContact O-N 3.03Å; S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 2.91Å |
| 48 | K | 91.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.4 | -173.1 | 179.4 | 178.4 | -176.8 | 0 | 110.6 | D6 E45 E50 T51 M52 | D6-K48 WeakPolarHBondContact OD1-CE 3.16Å; D6-K48 IonicContact OD1-NZ 3.94Å; D6-K48 PolarHBondContact OD1-NZ 3.08Å; D6-K48 WeakPolarHBondContact OD2-CE 3.38Å; D6-K48 IonicContact OD2-NZ 3.26Å; D6-K48 PolarHBondContact OD2-NZ 3.28Å; E45-K48 HydrophobicContact CB-CB 4.43Å; E45-K48 PolarHBondContact O-N 3.38Å; E45-K48 VanDerWaalsContact O-N 3.16Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3Å; K48-T51 PolarHBondContact O-N 2.99Å; K48-T51 PolarHBondContact O-OG1 3.02Å; K48-M52 HydrophobicContact CG-SD 4Å; K48-M52 VanDerWaalsContact O-CG 3.24Å; K48-M52 WeakPolarHBondContact O-CG 3.27Å; K48-M52 PolarHBondContact O-N 3.46Å |
| 49 | L | 91.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.5 | -69.5 | 178.7 | 0 | 0 | 0 | 112.5 | L9 I13 R31 L34 L42 E45 K46 M52 I53 | L9-L49 HydrophobicContact CD1-CD2 4.08Å; L9-L49 HydrophobicContact CD2-CD2 4.28Å; I13-L49 HydrophobicContact CD1-CD2 4.16Å; R31-L49 HydrophobicContact CB-CD1 4.39Å; R31-L49 HydrophobicContact CG-CD1 3.93Å; L34-L49 HydrophobicContact CD1-CD1 4.11Å; L34-L49 HydrophobicContact CD1-CD2 3.65Å; L34-L49 HydrophobicContact CD1-CG 4.49Å; L42-L49 HydrophobicContact CB-CD1 3.83Å; L42-L49 HydrophobicContact CD1-CD1 4.22Å; L42-L49 HydrophobicContact CG-CD1 4.5Å; E45-L49 PolarHBondContact O-N 3.03Å; K46-L49 PolarHBondContact O-N 3.21Å; L49-M52 HydrophobicContact CD2-SD 4.4Å; L49-M52 PolarHBondContact O-N 3.31Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.46Å; L49-I53 WeakPolarHBondContact O-CG1 3.5Å; L49-I53 PolarHBondContact O-N 3.01Å |
| 50 | E | 92.5 | Very high | 89 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.4 | -81.2 | 167.4 | -163.5 | 0 | 0 | 112.1 | R31 K46 S47 K48 M52 I53 M54 | R31-E50 IonicContact NH2-OE1 2.63Å; R31-E50 PolarHBondContact NH2-OE1 3.11Å; K46-E50 WeakPolarHBondContact CE-OE1 3.33Å; K46-E50 WeakPolarHBondContact CG-OE1 2.95Å; K46-E50 IonicContact NZ-OE1 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.29Å; K46-E50 WeakPolarHBondContact O-CG 3.18Å; K46-E50 PolarHBondContact O-N 3.49Å; S47-E50 PolarHBondContact O-N 3.03Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3Å; E50-M52 PolarHBondContact O-N 2.93Å; E50-I53 PolarHBondContact O-N 2.69Å; E50-M54 WeakPolarHBondContact O-CB 3.45Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 2.72Å |
| 51 | T | 94.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 175 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | S47 K48 M54 S55 | S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 2.91Å; K48-T51 PolarHBondContact O-N 2.99Å; K48-T51 PolarHBondContact O-OG1 3.02Å; T51-M54 PolarHBondContact O-N 3.41Å; T51-S55 WeakPolarHBondContact O-CB 3.36Å; T51-S55 PolarHBondContact O-N 3.43Å |
| 52 | M | 91.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 177.1 | -66.7 | 163.7 | 84.3 | 0 | 0 | 111.4 | D6 L9 L10 I13 K48 L49 E50 S55 T56 | D6-M52 WeakPolarHBondContact O-CE 3.46Å; L9-M52 HydrophobicContact CB-CE 3.78Å; L10-M52 HydrophobicContact CB-CE 4.31Å; L10-M52 HydrophobicContact CD1-CE 4.32Å; L10-M52 HydrophobicContact CD2-CB 3.84Å; L10-M52 HydrophobicContact CD2-CE 3.44Å; L10-M52 VanDerWaalsContact CD2-CE 3.44Å; L10-M52 HydrophobicContact CD2-CG 3.97Å; L10-M52 HydrophobicContact CG-CE 3.35Å; I13-M52 HydrophobicContact CD1-CB 3.95Å; I13-M52 HydrophobicContact CD1-CE 4.39Å; K48-M52 HydrophobicContact CG-SD 4Å; K48-M52 VanDerWaalsContact O-CG 3.24Å; K48-M52 WeakPolarHBondContact O-CG 3.27Å; K48-M52 PolarHBondContact O-N 3.46Å; L49-M52 HydrophobicContact CD2-SD 4.4Å; L49-M52 PolarHBondContact O-N 3.31Å; E50-M52 PolarHBondContact O-N 2.93Å; M52-S55 PolarHBondContact O-N 2.91Å; M52-T56 WeakPolarHBondContact O-CG2 3.42Å; M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.83Å; M52-T56 VanDerWaalsContact O-OG1 3.07Å |
| 53 | I | 92.8 | Very high | 88 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 177.4 | -67.8 | 160.8 | 0 | 0 | 0 | 110.3 | I13 V30 L49 E50 S55 T56 L57 | I13-I53 HydrophobicContact CD1-CG1 4.24Å; I13-I53 HydrophobicContact CG1-CG1 4.42Å; I13-I53 HydrophobicContact CG2-CG1 3.93Å; V30-I53 HydrophobicContact CB-CD1 3.61Å; V30-I53 HydrophobicContact CB-CG1 4.27Å; V30-I53 HydrophobicContact CG1-CD1 3.66Å; V30-I53 HydrophobicContact CG1-CG1 3.91Å; V30-I53 HydrophobicContact CG2-CD1 4.09Å; V30-I53 HydrophobicContact CG2-CG1 4.46Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.46Å; L49-I53 WeakPolarHBondContact O-CG1 3.5Å; L49-I53 PolarHBondContact O-N 3.01Å; E50-I53 PolarHBondContact O-N 2.69Å; I53-S55 PolarHBondContact O-N 3.18Å; I53-T56 WeakPolarHBondContact CA-OG1 3.32Å; I53-T56 PolarHBondContact O-N 3.09Å; I53-T56 PolarHBondContact O-OG1 3.07Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.4Å; I53-L57 WeakPolarHBondContact O-CB 3.41Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.98Å |
| 54 | M | 90.2 | Very high | 87.2 | Confident | 131 Ų | 131 | 76.7 Ų | 76.7 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 178.6 | -75.3 | 179.6 | 154 | 0 | 0 | 112.1 | E50 T51 T56 L57 E58 | E50-M54 WeakPolarHBondContact O-CB 3.45Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 2.72Å; T51-M54 PolarHBondContact O-N 3.41Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 2.75Å; M54-L57 PolarHBondContact O-N 3.08Å; M54-E58 PolarHBondContact O-N 2.75Å |
| 55 | S | 91 | Very high | 85.9 | Confident | 73 Ų | 73 | 75 Ų | 75 | 51% | 0.51 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | T51 M52 I53 E58 K59 | T51-S55 WeakPolarHBondContact O-CB 3.36Å; T51-S55 PolarHBondContact O-N 3.43Å; M52-S55 PolarHBondContact O-N 2.91Å; I53-S55 PolarHBondContact O-N 3.18Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-K59 WeakPolarHBondContact O-CB 3.43Å; S55-K59 PolarHBondContact O-N 3.02Å |
| 56 | T | 89.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 176.2 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | L10 I13 L17 M52 I53 M54 K59 L60 | L10-T56 HydrophobicContact CD2-CG2 4.27Å; I13-T56 HydrophobicContact CG2-CG2 4.33Å; L17-T56 WeakPolarHBondContact CD1-OG1 3.46Å; M52-T56 WeakPolarHBondContact O-CG2 3.42Å; M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.83Å; M52-T56 VanDerWaalsContact O-OG1 3.07Å; I53-T56 WeakPolarHBondContact CA-OG1 3.32Å; I53-T56 PolarHBondContact O-N 3.09Å; I53-T56 PolarHBondContact O-OG1 3.07Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 2.75Å; T56-K59 PolarHBondContact O-N 3.32Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 WeakPolarHBondContact O-CD1 3.43Å; T56-L60 WeakPolarHBondContact O-CG 3.25Å; T56-L60 PolarHBondContact O-N 3.18Å |
| 57 | L | 88.7 | Confident | 82.7 | Confident | 42 Ų | 42 | 81.6 Ų | 81.6 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.8 | -76.2 | 172.9 | 0 | 0 | 0 | 111.7 | L17 L22 I53 M54 K59 L60 Q61 | L17-L57 HydrophobicContact CD1-CD2 3.98Å; L17-L57 HydrophobicContact CD1-CG 3.99Å; L17-L57 HydrophobicContact CD2-CD2 3.93Å; L17-L57 HydrophobicContact CD2-CG 4.44Å; L17-L57 HydrophobicContact CG-CD2 4.49Å; L22-L57 HydrophobicContact CD2-CD2 4.01Å; L22-L57 HydrophobicContact CG-CD2 4.29Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.4Å; I53-L57 WeakPolarHBondContact O-CB 3.41Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.98Å; M54-L57 PolarHBondContact O-N 3.08Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3Å; L57-L60 PolarHBondContact O-N 2.8Å; L57-Q61 WeakPolarHBondContact O-CB 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-N 3.19Å |
| 58 | E | 88.5 | Confident | 80.7 | Confident | 128 Ų | 128 | 88 Ų | 88 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.3 | -175.9 | 176.5 | -167.2 | 0 | 0 | 111.4 | M54 S55 L60 Q61 S62 | M54-E58 PolarHBondContact O-N 2.75Å; S55-E58 PolarHBondContact O-N 2.93Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-Q61 PolarHBondContact O-N 3.2Å; E58-S62 VanDerWaalsContact O-CB 3.24Å; E58-S62 WeakPolarHBondContact O-CB 3.22Å; E58-S62 PolarHBondContact O-N 2.98Å; E58-S62 PolarHBondContact O-OG 2.9Å |
| 59 | K | 87.5 | Confident | 78.9 | Confident | 155 Ų | 155 | 90.8 Ų | 90.8 | 67% | 0.674 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | 175.2 | -168.2 | 176.6 | -178.7 | -176.4 | 0 | 112.3 | S55 T56 L57 S63 | S55-K59 WeakPolarHBondContact O-CB 3.43Å; S55-K59 PolarHBondContact O-N 3.02Å; T56-K59 PolarHBondContact O-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3Å; K59-S63 WeakPolarHBondContact O-CB 3.35Å; K59-S63 PolarHBondContact O-N 3.18Å; K59-S63 PolarHBondContact O-OG 3.41Å |
| 60 | L | 83.2 | Confident | 76.8 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 25% | 0.251 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 175.5 | -78.5 | 160.3 | 0 | 0 | 0 | 112.7 | L17 T56 L57 E58 S63 K64 | L17-L60 HydrophobicContact CB-CD1 3.93Å; L17-L60 HydrophobicContact CD1-CD1 4.2Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 WeakPolarHBondContact O-CD1 3.43Å; T56-L60 WeakPolarHBondContact O-CG 3.25Å; T56-L60 PolarHBondContact O-N 3.18Å; L57-L60 PolarHBondContact O-N 2.8Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-S63 PolarHBondContact O-OG 3.15Å; L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 3.25Å |
| 61 | Q | 82.4 | Confident | 74.6 | Confident | 120 Ų | 120 | 100.8 Ų | 100.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73 | -39.2 | 176 | -73.8 | -178.2 | -11.2 | 0 | 0 | 112.1 | L57 E58 K64 S65 | L57-Q61 WeakPolarHBondContact O-CB 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-N 3.19Å; E58-Q61 PolarHBondContact O-N 3.2Å; Q61-K64 PolarHBondContact O-N 2.76Å; Q61-S65 PolarHBondContact O-N 3Å; Q61-S65 VanDerWaalsContact O-N 3.07Å; Q61-S65 PolarHBondContact O-OG 2.99Å |
| 62 | S | 81.9 | Confident | 72.1 | Confident | 55 Ų | 55 | 105.4 Ų | 105.4 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.1 | -63 | 0 | 0 | 0 | 0 | 111.3 | E58 K64 S65 Q66 | E58-S62 VanDerWaalsContact O-CB 3.24Å; E58-S62 WeakPolarHBondContact O-CB 3.22Å; E58-S62 PolarHBondContact O-N 2.98Å; E58-S62 PolarHBondContact O-OG 2.9Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.08Å; S62-S65 PolarHBondContact O-N 2.8Å; S62-S65 VanDerWaalsContact O-N 3.15Å; S62-Q66 WeakPolarHBondContact O-CB 3.35Å; S62-Q66 WeakPolarHBondContact O-CG 3.3Å; S62-Q66 PolarHBondContact O-N 2.87Å |
| 63 | S | 72.6 | Confident | 69.9 | Low | 70 Ų | 70 | 111.7 Ų | 111.7 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -35.6 | 176 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | K59 L60 S65 N67 | K59-S63 WeakPolarHBondContact O-CB 3.35Å; K59-S63 PolarHBondContact O-N 3.18Å; K59-S63 PolarHBondContact O-OG 3.41Å; L60-S63 PolarHBondContact O-OG 3.15Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.77Å; S63-N67 PolarHBondContact O-N 2.93Å |
| 64 | K | 68 | Low | 67.5 | Low | 175 Ų | 175 | 116.2 Ų | 116.2 | 76% | 0.761 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -32.5 | 174.8 | -162.2 | 166.4 | -171.6 | 169.5 | 0 | 113.1 | L60 Q61 S62 | L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 3.25Å; Q61-K64 PolarHBondContact O-N 2.76Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.08Å |
| 65 | S | 58.9 | Low | 65.5 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.4 | -33.7 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | Q61 S62 S63 N67 R68 | Q61-S65 PolarHBondContact O-N 3Å; Q61-S65 VanDerWaalsContact O-N 3.07Å; Q61-S65 PolarHBondContact O-OG 2.99Å; S62-S65 PolarHBondContact O-N 2.8Å; S62-S65 VanDerWaalsContact O-N 3.15Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.77Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.23Å; S65-R68 PolarHBondContact O-N 2.97Å |
| 66 | Q | 55.3 | Low | 63.4 | Low | 144 Ų | 144 | 117.8 Ų | 117.8 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.8 | -21.8 | -179.6 | -73.5 | -158.3 | -16.7 | 0 | 0 | 113.8 | S62 R68 N69 | S62-Q66 WeakPolarHBondContact O-CB 3.35Å; S62-Q66 WeakPolarHBondContact O-CG 3.3Å; S62-Q66 PolarHBondContact O-N 2.87Å; Q66-R68 PolarHBondContact O-N 3.16Å; Q66-R68 VanDerWaalsContact O-N 3.1Å; Q66-N69 PolarHBondContact O-N 3.25Å |
| 67 | N | 52.8 | Low | 61.2 | Low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 1.3 | 173.4 | -154.4 | 28.1 | 0 | 0 | 0 | 114.3 | S63 S65 | S63-N67 PolarHBondContact O-N 2.93Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.23Å |
| 68 | R | 49.9 | Very low | 59.1 | Low | 222 Ų | 222 | 128.3 Ų | 128.3 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -15.9 | 171.5 | -79.8 | -174.6 | 170.6 | 178.8 | -2.6 | 114.8 | S65 Q66 | S65-R68 PolarHBondContact O-N 2.97Å; Q66-R68 PolarHBondContact O-N 3.16Å; Q66-R68 VanDerWaalsContact O-N 3.1Å |
| 69 | N | 53.5 | Low | 57.3 | Low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 6.2 | -170.4 | -73.3 | -2.7 | 0 | 0 | 0 | 114.7 | Q66 S71 | Q66-N69 PolarHBondContact O-N 3.25Å; N69-S71 PolarHBondContact O-N 3.49Å |
| 70 | N | 48.7 | Very low | 55.4 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 31.8 | -175.8 | -156.1 | 23.8 | 0 | 0 | 0 | 115 | ||
| 71 | S | 45.6 | Very low | 53.5 | Low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 12.6 | 173.2 | 60.1 | 0 | 0 | 0 | 0 | 114 | N69 | N69-S71 PolarHBondContact O-N 3.49Š|
| 72 | K | 42.9 | Very low | 51.1 | Low | 186 Ų | 186 | 131.7 Ų | 131.7 | 81% | 0.809 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -144.2 | 91.5 | 175.4 | -134.9 | 169.1 | -174.7 | 176.4 | 0 | 113 | ||
| 73 | L | 45.1 | Very low | 49 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 29.9 | 109.1 | 135.1 | -83.3 | 75.3 | 0 | 0 | 0 | 116.3 | ||||
| 74 | S | 42.4 | Very low | 47.4 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 74.6 | 94.5 | 76.1 | 73.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 75 | S | 47.7 | Very low | 46.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 160.1 | 89.4 | 151.6 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 76 | S | 45.9 | Very low | 45.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | 49.2 | 136 | 99.5 | -106.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 77 | P | 44.1 | Very low | 45 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -82.6 | 175.7 | -157.5 | 38.9 | -35.7 | 0 | 0 | 0 | 111.9 | ||||
| 78 | E | 44.8 | Very low | 44.4 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | 176.4 | 127.3 | 128.6 | -53.9 | -146.2 | 121.9 | 0 | 0 | 110.8 | |||||
| 79 | V | 49.5 | Very low | 44.3 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 58 | 151 | 141.6 | -53.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 80 | D | 48.9 | Very low | 43.7 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 84.3 | 102.8 | 157.9 | -58.6 | -55.3 | 0 | 0 | 0 | 118.8 | ||||
| 81 | E | 43.3 | Very low | 43.7 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 90.7 | 127.1 | 70.9 | -152.3 | -172.9 | 75 | 0 | 0 | 112.8 | |||||
| 82 | C | 31.2 | Very low | 43.9 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | trans | 45 | 131.7 | 155.9 | 65.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 83 | T | 37.3 | Very low | 44 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | -179.1 | 132.8 | 61.1 | -51.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 84 | E | 40.4 | Very low | 44 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 0.9 | 126.6 | 142.8 | -17 | -81.8 | 90.7 | 0 | 0 | 117.2 | ||||
| 85 | S | 46 | Very low | 44.1 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -153.1 | 103.4 | 145.8 | -77 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | D | 39.8 | Very low | 43.9 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -50.8 | 130 | 163.4 | -174.4 | -97.3 | 0 | 0 | 0 | 111.9 | ||||
| 87 | S | 44.3 | Very low | 44 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -157.3 | 93.3 | 152.9 | -144.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | S | 41.2 | Very low | 43.7 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -63.8 | 129.5 | 160.3 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 89 | S | 46.9 | Very low | 43.2 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -143.6 | 89.9 | 157 | -161.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 90 | D | 41 | Very low | 42.7 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -47.2 | 133 | 147.2 | -177.5 | 65.6 | 0 | 0 | 0 | 111.1 | ||||
| 91 | S | 49.6 | Very low | 42.4 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -164.3 | 99.8 | 162.1 | -80 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 92 | E | 49.3 | Very low | 42.7 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 177.1 | 163.2 | -123.5 | -158.5 | 99.7 | 0 | 0 | 111.3 | ||||
| 93 | P | 45.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | -116 | 136.5 | -120.8 | 32.8 | -14.1 | 0 | 0 | 0 | 114.7 | |||||
| 94 | E | 45.9 | Very low | 44.2 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 115.6 | 170.8 | -76 | -96.4 | 120.2 | 0 | 0 | 110.8 | ||||
| 95 | K | 44.1 | Very low | 45.1 | Very low | 204 Ų | 204 | 148 Ų | 148 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 144.9 | 166.4 | -71.5 | 172.5 | 178.4 | 169 | 0 | 109.9 | ||||
| 96 | P | 43.1 | Very low | 46.5 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -133.5 | 130.6 | 137.6 | 18.3 | 3.2 | 0 | 0 | 0 | 114.6 | ||||
| 97 | V | 48.5 | Very low | 48.4 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | 78.4 | 114.3 | 127.6 | -171.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 98 | K | 37.5 | Very low | 50 | Low | 183 Ų | 183 | 147.6 Ų | 147.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -47.3 | 147.1 | 163.1 | -66 | 166.2 | 176.4 | 169.3 | 0 | 114.4 | ||||
| 99 | K | 34 | Very low | 51.7 | Low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | 75.1 | 108.2 | 151.2 | -64.2 | 164.1 | -178.6 | -177.6 | 0 | 117.7 | ||||
| 100 | K | 39.9 | Very low | 53.5 | Low | 206 Ų | 206 | 147.8 Ų | 147.8 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | -170.4 | 120.7 | 116.4 | -99.5 | 164.8 | -174.7 | -179.3 | 0 | 109.6 | K102 | K100-K102 PolarHBondContact O-N 3.4Š| |||
| 101 | K | 41.3 | Very low | 55.7 | Low | 219 Ų | 219 | 144 Ų | 144 | 95% | 0.952 | 72% | 0.72 | S | S | * | * | trans | -58.5 | 98.8 | 170.2 | -73.5 | 177.3 | 174.9 | 178 | 0 | 107.9 | ||||
| 102 | K | 49.5 | Very low | 57.3 | Low | 193 Ų | 193 | 145.2 Ų | 145.2 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | trans | -80.9 | 117.8 | 168.3 | -156.1 | 173.5 | -176.2 | -177.8 | 0 | 106 | K100 T104 | K100-K102 PolarHBondContact O-N 3.4Å; K102-T104 PolarHBondContact O-N 3.27Å | ||
| 103 | K | 49.2 | Very low | 58.9 | Low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 69% | 0.687 | S | S | * | * | trans | -52.4 | 103.4 | 172.7 | -173.6 | 173.7 | -179.6 | 179.3 | 0 | 106.6 | S105 | K103-S105 PolarHBondContact O-N 2.93Š| ||
| 104 | T | 51.5 | Low | 60.8 | Low | 62 Ų | 62 | 138.6 Ų | 138.6 | 38% | 0.38 | 68% | 0.676 | S | S | . | * | trans | -59.4 | 129.6 | 173.9 | 44.5 | 0 | 0 | 0 | 0 | 106.4 | K102 D109 | K102-T104 PolarHBondContact O-N 3.27Å; T104-D109 WeakPolarHBondContact CB-OD2 3.43Å; T104-D109 PolarHBondContact OG1-OD2 2.89Å | ||
| 105 | S | 60.3 | Low | 62.6 | Low | 73 Ų | 73 | 135.6 Ų | 135.6 | 51% | 0.51 | 66% | 0.662 | S | S | . | * | trans | -63.9 | 148.6 | 168.2 | 53.6 | 0 | 0 | 0 | 0 | 107.7 | K103 D107 E108 | K103-S105 PolarHBondContact O-N 2.93Å; S105-D107 PolarHBondContact O-N 3.36Å; S105-E108 PolarHBondContact O-N 3.47Å | ||
| 106 | D | 74.6 | Confident | 64.4 | Low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -48.9 | -29.9 | 176.4 | -85.6 | -50.7 | 0 | 0 | 0 | 112.5 | Y110 | D106-Y110 VanDerWaalsContact O-CB 3.32Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 2.95Å |
| 107 | D | 80.5 | Confident | 66.1 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -40.3 | 177.7 | -107.8 | -0.1 | 0 | 0 | 0 | 114.8 | S105 Y110 A111 | S105-D107 PolarHBondContact O-N 3.36Å; D107-Y110 PolarHBondContact O-N 3.35Å; D107-A111 WeakPolarHBondContact O-CB 3.28Å; D107-A111 PolarHBondContact O-N 3.45Å |
| 108 | E | 77.4 | Confident | 67.6 | Low | 106 Ų | 106 | 126.7 Ų | 126.7 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69 | -38.8 | -178.4 | -106.7 | -166.7 | -166 | 0 | 0 | 111.5 | S105 R112 | S105-E108 PolarHBondContact O-N 3.47Å; E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact O-N 3.11Å; E108-R112 IonicContact OE2-NH2 2.93Å; E108-R112 PolarHBondContact OE2-NH2 3.26Å |
| 109 | D | 77 | Confident | 69.7 | Low | 74 Ų | 74 | 122 Ų | 122 | 40% | 0.396 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.8 | -33.5 | 177.5 | -83.6 | -52.3 | 0 | 0 | 0 | 111.6 | T104 R112 S113 | T104-D109 WeakPolarHBondContact CB-OD2 3.43Å; T104-D109 PolarHBondContact OG1-OD2 2.89Å; D109-R112 PolarHBondContact O-N 2.69Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NH1 2.87Å; D109-R112 PolarHBondContact OD1-NH1 3.48Å; D109-S113 PolarHBondContact O-N 2.96Å |
| 110 | Y | 84 | Confident | 71.5 | Confident | 144 Ų | 144 | 115.5 Ų | 115.5 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 171.8 | -175.8 | -106.8 | 0 | 0 | 0 | 112.7 | D106 D107 R112 S113 L114 | D106-Y110 VanDerWaalsContact O-CB 3.32Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 2.95Å; D107-Y110 PolarHBondContact O-N 3.35Å; Y110-R112 VanDerWaalsContact C-N 3.29Å; Y110-R112 PolarHBondContact O-N 3.43Å; Y110-S113 PolarHBondContact O-N 3.39Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; Y110-S113 PolarHBondContact O-OG 2.94Å; Y110-L114 HydrophobicContact CD1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD1 3.59Å; Y110-L114 HydrophobicContact CE1-CG 4.22Å; Y110-L114 PolarHBondContact O-N 2.89Å |
| 111 | A | 87.3 | Confident | 72.7 | Confident | 58 Ų | 58 | 111.3 Ų | 111.3 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.7 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | D107 S113 L114 H115 | D107-A111 WeakPolarHBondContact O-CB 3.28Å; D107-A111 PolarHBondContact O-N 3.45Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.49Å; A111-L114 PolarHBondContact O-N 3.3Å; A111-H115 PolarHBondContact O-N 3.01Å; A111-H115 VanDerWaalsContact O-N 3.11Å |
| 112 | R | 84 | Confident | 73.7 | Confident | 136 Ų | 136 | 111.9 Ų | 111.9 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -35.3 | 176.2 | -131 | 175.1 | -78.3 | 145.5 | -8.2 | 112 | E108 D109 Y110 A116 | E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact O-N 3.11Å; E108-R112 IonicContact OE2-NH2 2.93Å; E108-R112 PolarHBondContact OE2-NH2 3.26Å; D109-R112 PolarHBondContact O-N 2.69Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NH1 2.87Å; D109-R112 PolarHBondContact OD1-NH1 3.48Å; Y110-R112 VanDerWaalsContact C-N 3.29Å; Y110-R112 PolarHBondContact O-N 3.43Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.13Å |
| 113 | S | 81.3 | Confident | 74.1 | Confident | 57 Ų | 57 | 114.1 Ų | 114.1 | 40% | 0.399 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.9 | -44.3 | 177.3 | 72 | 0 | 0 | 0 | 0 | 112.4 | D109 Y110 A111 H115 A116 E117 | D109-S113 PolarHBondContact O-N 2.96Å; Y110-S113 PolarHBondContact O-N 3.39Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; Y110-S113 PolarHBondContact O-OG 2.94Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.49Å; S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 3.07Å; S113-A116 PolarHBondContact O-N 3.08Å; S113-E117 WeakPolarHBondContact O-CB 2.81Å; S113-E117 PolarHBondContact O-N 3.33Å |
| 114 | L | 85.3 | Confident | 74.7 | Confident | 82 Ų | 82 | 116 Ų | 116 | 43% | 0.429 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.6 | -42.2 | 176.2 | -80 | -179.4 | 0 | 0 | 0 | 112 | Y110 A111 A116 E117 A118 | Y110-L114 HydrophobicContact CD1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD1 3.59Å; Y110-L114 HydrophobicContact CE1-CG 4.22Å; Y110-L114 PolarHBondContact O-N 2.89Å; A111-L114 PolarHBondContact O-N 3.3Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.95Å; L114-E117 PolarHBondContact O-N 2.85Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.95Å |
| 115 | H | 85 | Confident | 74.9 | Confident | 126 Ų | 126 | 118.3 Ų | 118.3 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -35.5 | 177.1 | -171.9 | -108.7 | 0 | 0 | 0 | 112.7 | A111 S113 N119 | A111-H115 PolarHBondContact O-N 3.01Å; A111-H115 VanDerWaalsContact O-N 3.11Å; S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 3.07Å; H115-N119 PolarHBondContact CE1-ND2 3.39Å; H115-N119 PolarHBondContact NE2-ND2 3.25Å; H115-N119 VanDerWaalsContact NE2-ND2 3.16Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.63Å; H115-N119 PolarHBondContact O-ND2 2.89Å |
| 116 | A | 81 | Confident | 74.5 | Confident | 31 Ų | 31 | 121 Ų | 121 | 26% | 0.256 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.3 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R112 S113 L114 G120 M121 | R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.13Å; S113-A116 PolarHBondContact O-N 3.08Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.95Å; A116-G120 PolarHBondContact O-N 3.25Å; A116-M121 HydrophobicContact CB-CB 4.14Å; A116-M121 WeakPolarHBondContact O-CA 3Å; A116-M121 WeakPolarHBondContact O-CB 3.24Å; A116-M121 PolarHBondContact O-N 3.15Å |
| 117 | E | 78.3 | Confident | 73.3 | Confident | 149 Ų | 149 | 118.3 Ų | 118.3 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69 | -44.5 | 177.1 | -170 | 158.1 | -150.5 | 0 | 0 | 111.8 | S113 L114 N119 G120 | S113-E117 WeakPolarHBondContact O-CB 2.81Å; S113-E117 PolarHBondContact O-N 3.33Å; L114-E117 PolarHBondContact O-N 2.85Å; E117-N119 VanDerWaalsContact C-N 3.33Å; E117-N119 PolarHBondContact O-N 3.08Å; E117-G120 PolarHBondContact O-N 3.36Å; E117-G120 VanDerWaalsContact O-N 3.17Å |
| 118 | A | 81.2 | Confident | 72.1 | Confident | 86 Ų | 86 | 117.3 Ų | 117.3 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.6 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L114 G120 | L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.95Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.41Å |
| 119 | N | 81.7 | Confident | 70.6 | Confident | 86 Ų | 86 | 119.3 Ų | 119.3 | 46% | 0.46 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | 4.6 | 179.3 | -71 | -31.2 | 0 | 0 | 0 | 113.9 | H115 E117 M121 | H115-N119 PolarHBondContact CE1-ND2 3.39Å; H115-N119 PolarHBondContact NE2-ND2 3.25Å; H115-N119 VanDerWaalsContact NE2-ND2 3.16Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.63Å; H115-N119 PolarHBondContact O-ND2 2.89Å; E117-N119 VanDerWaalsContact C-N 3.33Å; E117-N119 PolarHBondContact O-N 3.08Å; N119-M121 HydrophobicContact CB-CE 3.62Å; N119-M121 HydrophobicContact CB-SD 3.44Å; N119-M121 WeakPolarHBondContact CB-SD 3.04Å; N119-M121 PolarHBondContact O-N 2.87Å |
| 120 | G | 71.7 | Confident | 69.6 | Low | 55 Ų | 55 | 124.5 Ų | 124.5 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 16.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A116 E117 A118 R122 | A116-G120 PolarHBondContact O-N 3.25Å; E117-G120 PolarHBondContact O-N 3.36Å; E117-G120 VanDerWaalsContact O-N 3.17Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.41Å; G120-R122 PolarHBondContact O-N 3.38Å |
| 121 | M | 63.9 | Low | 68 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 58% | 0.581 | 67% | 0.666 | S | S | * | * | trans | -76.9 | 61.5 | 173.3 | -79.6 | 58.4 | 146.1 | 0 | 0 | 109.4 | A116 N119 R123 | A116-M121 HydrophobicContact CB-CB 4.14Å; A116-M121 WeakPolarHBondContact O-CA 3Å; A116-M121 WeakPolarHBondContact O-CB 3.24Å; A116-M121 PolarHBondContact O-N 3.15Å; N119-M121 HydrophobicContact CB-CE 3.62Å; N119-M121 HydrophobicContact CB-SD 3.44Å; N119-M121 WeakPolarHBondContact CB-SD 3.04Å; N119-M121 PolarHBondContact O-N 2.87Å; M121-R123 PolarHBondContact O-N 2.94Å; M121-R123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | R | 62.2 | Low | 66.3 | Low | 230 Ų | 230 | 132.7 Ų | 132.7 | 87% | 0.868 | 69% | 0.687 | S | S | * | * | trans | -59.3 | 117.3 | 170 | -63 | -179 | 83.7 | -174.7 | 6.3 | 107.7 | G120 R124 | G120-R122 PolarHBondContact O-N 3.38Å; R122-R124 PolarHBondContact O-N 3.47Å | ||
| 123 | R | 59.8 | Low | 64.9 | Low | 241 Ų | 241 | 130.9 Ų | 130.9 | 91% | 0.909 | 70% | 0.695 | S | S | * | * | trans | -56.7 | 104.3 | 174 | -64 | 179.2 | 97.4 | 164.2 | 5.9 | 107.4 | M121 S125 | M121-R123 PolarHBondContact O-N 2.94Å; M121-R123 VanDerWaalsContact O-N 3.08Å; R123-S125 PolarHBondContact O-N 3Å; R123-S125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | R | 60 | Low | 63.8 | Low | 245 Ų | 245 | 136.5 Ų | 136.5 | 93% | 0.925 | 72% | 0.715 | S | S | * | * | trans | -52.6 | 123.4 | 167.5 | -90.8 | -179.3 | 173.3 | 154.1 | -1.3 | 107.2 | R122 S126 | R122-R124 PolarHBondContact O-N 3.47Å; R124-S126 PolarHBondContact O-N 2.92Å | ||
| 125 | S | 57.4 | Low | 62 | Low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -52.1 | 127.4 | 179.5 | 59.8 | 0 | 0 | 0 | 0 | 109.4 | R123 S127 | R123-S125 PolarHBondContact O-N 3Å; R123-S125 VanDerWaalsContact O-N 3.15Å; S125-S127 PolarHBondContact O-N 3.26Å | ||
| 126 | S | 50.2 | Low | 60.4 | Low | 129 Ų | 129 | 142.8 Ų | 142.8 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | -72.8 | 79.1 | 173.6 | 52.1 | 0 | 0 | 0 | 0 | 108.8 | R124 | R124-S126 PolarHBondContact O-N 2.92Š| ||
| 127 | S | 49.1 | Very low | 59 | Low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -109.8 | 133.2 | 159.6 | 175.1 | 0 | 0 | 0 | 0 | 107.3 | S125 | S125-S127 PolarHBondContact O-N 3.26Š| ||
| 128 | S | 55.4 | Low | 58 | Low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | 87.1 | 85 | -171.6 | 76.4 | 0 | 0 | 0 | 0 | 116.2 | K130 | S128-K130 PolarHBondContact O-N 3.11Š| ||
| 129 | T | 45.9 | Very low | 56.3 | Low | 148 Ų | 148 | 145 Ų | 145 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -38.2 | 95.6 | 142.7 | 33.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 130 | K | 57.6 | Low | 54.8 | Low | 183 Ų | 183 | 143.2 Ų | 143.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -131.2 | 130.8 | 151.9 | -81.1 | -174.9 | 178 | 175.6 | 0 | 108.2 | S128 R132 | S128-K130 PolarHBondContact O-N 3.11Å; K130-R132 PolarHBondContact O-N 2.75Å; K130-R132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | P | 49.8 | Very low | 54 | Low | 129 Ų | 129 | 149.4 Ų | 149.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -59.1 | 121.1 | 178.1 | 26 | -31.9 | 0 | 0 | 0 | 107.2 | S133 | P131-S133 PolarHBondContact O-N 3.27Š| ||
| 132 | R | 52.4 | Low | 54 | Low | 246 Ų | 246 | 147.4 Ų | 147.4 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 87.8 | 174.9 | -163.8 | 172.3 | 175.2 | 174.3 | -2.8 | 105.9 | K130 Q134 | K130-R132 PolarHBondContact O-N 2.75Å; K130-R132 VanDerWaalsContact O-N 3.08Å; R132-Q134 PolarHBondContact O-N 3.14Å; R132-Q134 VanDerWaalsContact O-N 3.15Å | ||
| 133 | S | 53.3 | Low | 54.2 | Low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -48.7 | 125.9 | 174.3 | 65.1 | 0 | 0 | 0 | 0 | 106.4 | P131 K135 | P131-S133 PolarHBondContact O-N 3.27Å; S133-K135 PolarHBondContact O-N 3.42Å | ||
| 134 | Q | 57.9 | Low | 54.6 | Low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -43.8 | 116.3 | 170.6 | -71.5 | 176.6 | -20.8 | 0 | 0 | 107 | R132 Q136 | R132-Q134 PolarHBondContact O-N 3.14Å; R132-Q134 VanDerWaalsContact O-N 3.15Å; Q134-Q136 VanDerWaalsContact C-N 3.26Å; Q134-Q136 PolarHBondContact O-N 2.94Å | ||
| 135 | K | 47.6 | Very low | 55.2 | Low | 200 Ų | 200 | 126.7 Ų | 126.7 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -57.9 | 101.7 | 174 | -89.3 | -177 | 173.1 | -176.8 | 0 | 105.3 | S133 P137 | S133-K135 PolarHBondContact O-N 3.42Å; K135-P137 WeakPolarHBondContact O-CD 3.35Å | ||
| 136 | Q | 52.2 | Low | 56.1 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | trans | -50.7 | 122.1 | 165.4 | -71.5 | -72.6 | -10.4 | 0 | 0 | 106 | Q134 G138 S139 | Q134-Q136 VanDerWaalsContact C-N 3.26Å; Q134-Q136 PolarHBondContact O-N 2.94Å; Q136-G138 PolarHBondContact O-N 3.07Å; Q136-S139 PolarHBondContact O-N 2.78Å | ||
| 137 | P | 52.2 | Low | 57.5 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 81.5 | 172.1 | 29.3 | -31.6 | 0 | 0 | 0 | 107 | K135 | K135-P137 WeakPolarHBondContact O-CD 3.35Š|
| 138 | G | 55.8 | Low | 59 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.6 | -19.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q136 G140 | Q136-G138 PolarHBondContact O-N 3.07Å; G138-G140 PolarHBondContact O-N 2.96Å |
| 139 | S | 46.4 | Very low | 60.4 | Low | 118 Ų | 118 | 122.5 Ų | 122.5 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -86.6 | 63.4 | 178 | 180 | 0 | 0 | 0 | 0 | 111.5 | Q136 | Q136-S139 PolarHBondContact O-N 2.78Š|
| 140 | G | 50.7 | Low | 62.4 | Low | 49 Ų | 49 | 115.9 Ų | 115.9 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | trans | -179 | 49.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | G138 T142 | G138-G140 PolarHBondContact O-N 2.96Å; G140-T142 PolarHBondContact O-N 3.42Å; G140-T142 PolarHBondContact O-OG1 3.31Å | ||
| 141 | K | 54.9 | Low | 63.7 | Low | 184 Ų | 184 | 108.2 Ų | 108.2 | 80% | 0.8 | 60% | 0.596 | S | S | * | * | trans | -67.3 | 64.1 | 158.8 | -83 | 170.9 | 177.3 | 178.7 | 0 | 108.3 | ||||
| 142 | T | 63.1 | Low | 65.4 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | trans | -56.5 | 137 | 168.1 | -45.8 | 0 | 0 | 0 | 0 | 105.9 | G140 F144 T145 | G140-T142 PolarHBondContact O-N 3.42Å; G140-T142 PolarHBondContact O-OG1 3.31Å; T142-F144 HydrophobicContact CG2-CD2 3.27Å; T142-F144 HydrophobicContact CG2-CE2 3.48Å; T142-F144 VanDerWaalsContact CG2-CE2 3.48Å; T142-F144 HydrophobicContact CG2-CG 4.35Å; T142-F144 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-N 3.5Å; T142-T145 PolarHBondContact O-OG1 2.86Å | ||
| 143 | G | 66.4 | Low | 66.9 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -52.3 | -11.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 144 | F | 67.7 | Low | 68.4 | Low | 154 Ų | 154 | 98 Ų | 98 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -69.8 | -28 | 174.9 | -52.9 | -59.5 | 0 | 0 | 0 | 115.4 | T142 | T142-F144 HydrophobicContact CG2-CD2 3.27Å; T142-F144 HydrophobicContact CG2-CE2 3.48Å; T142-F144 VanDerWaalsContact CG2-CE2 3.48Å; T142-F144 HydrophobicContact CG2-CG 4.35Å; T142-F144 PolarHBondContact O-N 3.42Å |
| 145 | T | 73.7 | Confident | 69.8 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -102 | 11.1 | -179.1 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | T142 | T142-T145 PolarHBondContact O-N 3.5Å; T142-T145 PolarHBondContact O-OG1 2.86Å |
| 146 | R | 74.9 | Confident | 71.7 | Confident | 161 Ų | 161 | 89 Ų | 89 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -64.5 | 132.1 | 174.3 | -69.7 | -177.2 | 175.6 | -150.1 | -0.7 | 108.9 | L148 | R146-L148 PolarHBondContact O-N 3.23Š|
| 147 | P | 79.5 | Confident | 73.3 | Confident | 93 Ų | 93 | 85 Ų | 85 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.1 | 168.8 | 27.9 | -32.3 | 0 | 0 | 0 | 107.4 | ||
| 148 | L | 81.8 | Confident | 74.9 | Confident | 33 Ų | 33 | 80 Ų | 80 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.8 | 177.6 | -59.8 | 137.1 | 0 | 0 | 0 | 107.8 | R146 E162 L163 R165 I218 | R146-L148 PolarHBondContact O-N 3.23Å; L148-E162 WeakPolarHBondContact O-CA 3.41Å; L148-L163 PolarHBondContact N-O 2.93Å; L148-L163 PolarHBondContact O-N 2.92Å; L148-R165 HydrophobicContact CD1-CB 3.94Å; L148-I218 HydrophobicContact CB-CG2 3.49Å; L148-I218 VanDerWaalsContact CB-CG2 3.49Å; L148-I218 HydrophobicContact CD1-CG2 3.88Å; L148-I218 HydrophobicContact CD2-CG2 3.76Å; L148-I218 HydrophobicContact CG-CG2 3.89Å |
| 149 | T | 85.1 | Confident | 76.4 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.4 | 173.3 | 42.7 | 0 | 0 | 0 | 0 | 109.6 | E162 I219 | T149-E162 HydrophobicContact CG2-CG 3.95Å; T149-I219 PolarHBondContact N-O 3.16Å; T149-I219 CarbonylContact O-C 3.57Å; T149-I219 PolarHBondContact O-N 3.16Å; T149-I219 PolarHBondContact OG1-O 3.33Å |
| 150 | L | 86.5 | Confident | 78.2 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 5% | 0.052 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 153.4 | 177.9 | -50.7 | -177.3 | 0 | 0 | 0 | 110.2 | M154 A155 I158 E160 K161 L163 L168 I218 | L150-M154 HydrophobicContact CB-CB 4.22Å; L150-M154 HydrophobicContact CB-CG 4.32Å; L150-M154 HydrophobicContact CD1-CG 4.09Å; L150-A155 HydrophobicContact CB-CB 4.35Å; L150-I158 HydrophobicContact CD1-CD1 4.2Å; L150-E160 WeakPolarHBondContact CD1-O 3.24Å; L150-K161 PolarHBondContact N-O 3.3Å; L150-K161 VanDerWaalsContact N-O 3.11Å; L150-L163 HydrophobicContact CD1-CB 4.25Å; L150-L163 HydrophobicContact CD1-CD1 3.93Å; L150-L163 HydrophobicContact CD2-CB 4.46Å; L150-L168 HydrophobicContact CD1-CD2 3.62Å; L150-L168 HydrophobicContact CD2-CD1 3.54Å; L150-L168 HydrophobicContact CD2-CD2 3.77Å; L150-L168 HydrophobicContact CD2-CG 4.08Å; L150-L168 HydrophobicContact CG-CD2 4.36Å; L150-I218 HydrophobicContact CD2-CG1 4.3Å |
| 151 | S | 85.8 | Confident | 79.8 | Confident | 21 Ų | 21 | 84.4 Ų | 84.4 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.4 | 167.3 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | E153 M154 A155 H217 | S151-E153 PolarHBondContact O-N 2.95Å; S151-E153 VanDerWaalsContact O-N 3.13Å; S151-M154 WeakPolarHBondContact O-CA 3.35Å; S151-M154 WeakPolarHBondContact O-CB 3.33Å; S151-M154 PolarHBondContact O-N 3.16Å; S151-A155 PolarHBondContact O-N 3.07Å; S151-H217 PolarHBondContact N-O 3.13Å; S151-H217 WeakPolarHBondContact OG-CB 3.46Å; S151-H217 PolarHBondContact OG-ND1 3.39Å; S151-H217 PolarHBondContact OG-O 3.39Å |
| 152 | D | 84.5 | Confident | 81.3 | Confident | 141 Ų | 141 | 81.5 Ų | 81.5 | 75% | 0.754 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -50 | -43.2 | -176.9 | -62.8 | -32.5 | 0 | 0 | 0 | 112.9 | M154 A155 E156 | D152-M154 VanDerWaalsContact C-N 3.28Å; D152-M154 PolarHBondContact O-N 3.5Å; D152-A155 PolarHBondContact O-N 3.11Å; D152-E156 WeakPolarHBondContact O-CB 3.45Å; D152-E156 PolarHBondContact O-N 3.47Å |
| 153 | E | 85.4 | Confident | 82.4 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 177 | -59 | 179.6 | 165.9 | 0 | 0 | 113.3 | S151 Y157 L199 H217 | S151-E153 PolarHBondContact O-N 2.95Å; S151-E153 VanDerWaalsContact O-N 3.13Å; E153-Y157 PolarHBondContact O-N 2.95Å; E153-L199 HydrophobicContact CB-CD2 3.77Å; E153-H217 IonicContact OE2-CE1 3.88Å |
| 154 | M | 84.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -81.2 | -37 | -178.5 | -172.6 | 68.3 | 69.5 | 0 | 0 | 110.8 | L150 S151 D152 E156 Y157 I158 F172 L199 F200 L214 H217 | L150-M154 HydrophobicContact CB-CB 4.22Å; L150-M154 HydrophobicContact CB-CG 4.32Å; L150-M154 HydrophobicContact CD1-CG 4.09Å; S151-M154 WeakPolarHBondContact O-CA 3.35Å; S151-M154 WeakPolarHBondContact O-CB 3.33Å; S151-M154 PolarHBondContact O-N 3.16Å; D152-M154 VanDerWaalsContact C-N 3.28Å; D152-M154 PolarHBondContact O-N 3.5Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-Y157 PolarHBondContact O-N 3.4Å; M154-I158 HydrophobicContact CG-CD1 3.96Å; M154-I158 WeakPolarHBondContact O-CG1 3.13Å; M154-I158 PolarHBondContact O-N 3.26Å; M154-I158 HydrophobicContact SD-CD1 3.92Å; M154-I158 HydrophobicContact SD-CG1 4.41Å; M154-F172 HydrophobicContact CE-CE2 4.29Å; M154-F172 HydrophobicContact CE-CZ 4.01Å; M154-F172 HydrophobicContact SD-CE2 3.52Å; M154-F172 VanDerWaalsContact SD-CE2 3.52Å; M154-F172 HydrophobicContact SD-CZ 3.49Å; M154-F172 WeakPolarHBondContact SD-CZ 3.41Å; M154-L199 HydrophobicContact CE-CB 4.48Å; M154-L199 HydrophobicContact CE-CD1 4.14Å; M154-L199 HydrophobicContact CE-CD2 4.16Å; M154-L199 HydrophobicContact SD-CD1 4.07Å; M154-L199 HydrophobicContact SD-CD2 4.49Å; M154-F200 HydrophobicContact CE-CE1 4.13Å; M154-F200 HydrophobicContact CE-CZ 4.45Å; M154-L214 HydrophobicContact CE-CD2 3.73Å; M154-L214 HydrophobicContact SD-CD2 4.25Å; M154-H217 HydrophobicContact CB-CB 4.18Å; M154-H217 HydrophobicContact CE-CB 3.63Å; M154-H217 HydrophobicContact CG-CB 4.43Å |
| 155 | A | 86.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L150 S151 D152 G159 E160 | L150-A155 HydrophobicContact CB-CB 4.35Å; S151-A155 PolarHBondContact O-N 3.07Å; D152-A155 PolarHBondContact O-N 3.11Å; A155-G159 CarbonylContact O-C 3.59Å; A155-G159 VanDerWaalsContact O-CA 3.23Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.49Å; A155-E160 WeakPolarHBondContact CA-O 3.42Å; A155-E160 PolarHBondContact O-N 3.19Å |
| 156 | E | 86.9 | Confident | 84.9 | Confident | 171 Ų | 171 | 71 Ų | 71 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 175.8 | -172.3 | 169.1 | -161.7 | 0 | 0 | 111.8 | D152 M154 | D152-E156 WeakPolarHBondContact O-CB 3.45Å; D152-E156 PolarHBondContact O-N 3.47Å; M154-E156 VanDerWaalsContact C-N 3.33Å |
| 157 | Y | 85.6 | Confident | 85.6 | Confident | 59 Ų | 59 | 66 Ų | 66 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 179.4 | -173.1 | -101.6 | 0 | 0 | 0 | 113.5 | E153 M154 I175 D195 W196 L199 | E153-Y157 PolarHBondContact O-N 2.95Å; M154-Y157 PolarHBondContact O-N 3.4Å; Y157-I175 HydrophobicContact CE1-CD1 3.71Å; Y157-I175 HydrophobicContact CE1-CG2 4.49Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.44Å; Y157-D195 HydrophobicContact CD2-CB 3.82Å; Y157-D195 HydrophobicContact CE2-CB 3.39Å; Y157-W196 AromaticContact CE1-NE1 3.81Å; Y157-W196 AromaticContact CZ-CD1 3.99Å; Y157-W196 AromaticContact CZ-NE1 3.73Å; Y157-W196 PolarHBondContact OH-NE1 2.89Å; Y157-L199 HydrophobicContact CD1-CD1 4.21Å; Y157-L199 HydrophobicContact CG-CD1 4.18Å |
| 158 | I | 87 | Confident | 86.1 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86.9 | -24.8 | -178.9 | -57.8 | 176.5 | 0 | 0 | 0 | 111.9 | L150 M154 E160 L163 L168 F172 | L150-I158 HydrophobicContact CD1-CD1 4.2Å; M154-I158 HydrophobicContact CG-CD1 3.96Å; M154-I158 WeakPolarHBondContact O-CG1 3.13Å; M154-I158 PolarHBondContact O-N 3.26Å; M154-I158 HydrophobicContact SD-CD1 3.92Å; M154-I158 HydrophobicContact SD-CG1 4.41Å; I158-E160 VanDerWaalsContact C-N 3.31Å; I158-E160 HydrophobicContact CG2-CB 4.32Å; I158-L163 HydrophobicContact CD1-CD1 4.42Å; I158-L163 HydrophobicContact CG2-CD1 3.65Å; I158-L168 HydrophobicContact CD1-CD2 3.26Å; I158-F172 HydrophobicContact CD1-CE2 3.93Å; I158-F172 HydrophobicContact CG1-CE2 4.48Å |
| 159 | G | 86.1 | Confident | 86.5 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 68% | 0.68 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 81.9 | 3.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A155 | A155-G159 CarbonylContact O-C 3.59Å; A155-G159 VanDerWaalsContact O-CA 3.23Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.49Å |
| 160 | E | 85.2 | Confident | 86.7 | Confident | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | trans | -122.8 | 133.5 | -178 | -71.5 | -179.1 | -141 | 0 | 0 | 110.3 | L150 A155 I158 L163 | L150-E160 WeakPolarHBondContact CD1-O 3.24Å; A155-E160 WeakPolarHBondContact CA-O 3.42Å; A155-E160 PolarHBondContact O-N 3.19Å; I158-E160 VanDerWaalsContact C-N 3.31Å; I158-E160 HydrophobicContact CG2-CB 4.32Å; E160-L163 HydrophobicContact CB-CD1 3.47Å; E160-L163 VanDerWaalsContact CB-CD1 3.47Å; E160-L163 HydrophobicContact CB-CG 4.15Å; E160-L163 HydrophobicContact CG-CD1 4.22Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.38Å; E160-L163 VanDerWaalsContact OE2-CD2 3.3Å; E160-L163 WeakPolarHBondContact OE2-CD2 3.43Å; E160-L163 WeakPolarHBondContact OE2-CG 3.33Å | ||
| 161 | K | 83.5 | Confident | 87 | Confident | 174 Ų | 174 | 67.1 Ų | 67.1 | 76% | 0.757 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -82.3 | -27.6 | -176.9 | -64.2 | -176.6 | 179.7 | -177.7 | 0 | 113.6 | L150 | L150-K161 PolarHBondContact N-O 3.3Å; L150-K161 VanDerWaalsContact N-O 3.11Å |
| 162 | E | 87.2 | Confident | 87.2 | Confident | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 120.3 | -175.6 | -66.1 | -176 | -179.8 | 0 | 0 | 110.3 | L148 T149 | L148-E162 WeakPolarHBondContact O-CA 3.41Å; T149-E162 HydrophobicContact CG2-CG 3.95Å |
| 163 | L | 85.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.2 | 179.5 | -92.7 | 146.8 | 0 | 0 | 0 | 110.9 | L148 L150 I158 E160 D167 L168 | L148-L163 PolarHBondContact N-O 2.93Å; L148-L163 PolarHBondContact O-N 2.92Å; L150-L163 HydrophobicContact CD1-CB 4.25Å; L150-L163 HydrophobicContact CD1-CD1 3.93Å; L150-L163 HydrophobicContact CD2-CB 4.46Å; I158-L163 HydrophobicContact CD1-CD1 4.42Å; I158-L163 HydrophobicContact CG2-CD1 3.65Å; E160-L163 HydrophobicContact CB-CD1 3.47Å; E160-L163 VanDerWaalsContact CB-CD1 3.47Å; E160-L163 HydrophobicContact CB-CG 4.15Å; E160-L163 HydrophobicContact CG-CD1 4.22Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.38Å; E160-L163 VanDerWaalsContact OE2-CD2 3.3Å; E160-L163 WeakPolarHBondContact OE2-CD2 3.43Å; E160-L163 WeakPolarHBondContact OE2-CG 3.33Å; L163-D167 HydrophobicContact CD2-CB 3.49Å; L163-D167 VanDerWaalsContact CD2-CB 3.49Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 3.96Å; L163-L168 HydrophobicContact CD1-CD2 4Å |
| 164 | S | 87.2 | Confident | 87.9 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 152.3 | 170.4 | 84.4 | 0 | 0 | 0 | 0 | 110.3 | S166 D167 L168 | S164-S166 PolarHBondContact O-N 3.19Å; S164-S166 VanDerWaalsContact O-N 3.16Å; S164-S166 PolarHBondContact OG-N 3.43Å; S164-S166 PolarHBondContact OG-OG 3.46Å; S164-D167 WeakPolarHBondContact CB-OD2 3.33Å; S164-D167 PolarHBondContact O-N 2.92Å; S164-D167 PolarHBondContact OG-N 2.96Å; S164-D167 VanDerWaalsContact OG-N 3.12Å; S164-D167 PolarHBondContact OG-OD2 2.89Å; S164-L168 PolarHBondContact O-N 3.43Å |
| 165 | R | 85.4 | Confident | 88.2 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.6 | -35.9 | 176 | -174.6 | 177 | -179.7 | 85.3 | 1.2 | 112 | L148 V169 A211 I218 | L148-R165 HydrophobicContact CD1-CB 3.94Å; R165-V169 VanDerWaalsContact O-CG2 3.29Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.44Å; R165-A211 PolarHBondContact NH2-O 3.36Å; R165-I218 HydrophobicContact CB-CD1 4.42Å; R165-I218 HydrophobicContact CG-CD1 4.18Å |
| 166 | S | 88.4 | Confident | 88.4 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 176.4 | 37.1 | 0 | 0 | 0 | 0 | 112.9 | S164 V169 K170 | S164-S166 PolarHBondContact O-N 3.19Å; S164-S166 VanDerWaalsContact O-N 3.16Å; S164-S166 PolarHBondContact OG-N 3.43Å; S164-S166 PolarHBondContact OG-OG 3.46Å; S166-V169 PolarHBondContact O-N 3.17Å; S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 3.39Å; S166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | D | 89.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.3 | -35.9 | -176.1 | -60.1 | -37.6 | 0 | 0 | 0 | 111.2 | L163 S164 V169 K170 K171 | L163-D167 HydrophobicContact CD2-CB 3.49Å; L163-D167 VanDerWaalsContact CD2-CB 3.49Å; S164-D167 WeakPolarHBondContact CB-OD2 3.33Å; S164-D167 PolarHBondContact O-N 2.92Å; S164-D167 PolarHBondContact OG-N 2.96Å; S164-D167 VanDerWaalsContact OG-N 3.12Å; S164-D167 PolarHBondContact OG-OD2 2.89Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact O-N 3.18Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.46Å; D167-K170 IonicContact OD1-NZ 2.94Å; D167-K170 PolarHBondContact OD1-NZ 3.14Å; D167-K171 WeakPolarHBondContact O-CG 3.42Å; D167-K171 PolarHBondContact O-N 3.39Å |
| 168 | L | 88.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.8 | -49.2 | 167.4 | -71.3 | 172.6 | 0 | 0 | 0 | 111.9 | L150 I158 L163 S164 K170 K171 F172 L214 I218 | L150-L168 HydrophobicContact CD1-CD2 3.62Å; L150-L168 HydrophobicContact CD2-CD1 3.54Å; L150-L168 HydrophobicContact CD2-CD2 3.77Å; L150-L168 HydrophobicContact CD2-CG 4.08Å; L150-L168 HydrophobicContact CG-CD2 4.36Å; I158-L168 HydrophobicContact CD1-CD2 3.26Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 3.96Å; L163-L168 HydrophobicContact CD1-CD2 4Å; S164-L168 PolarHBondContact O-N 3.43Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.24Å; L168-K171 PolarHBondContact O-N 3.28Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.4Å; L168-L214 HydrophobicContact CB-CD1 3.99Å; L168-I218 HydrophobicContact CD1-CD1 3.62Å; L168-I218 HydrophobicContact CD1-CG1 3.67Å |
| 169 | V | 89.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 70 Ų | 70 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | -180 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | R165 S166 D167 K171 F172 W173 V210 A211 L214 | R165-V169 VanDerWaalsContact O-CG2 3.29Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.44Å; S166-V169 PolarHBondContact O-N 3.17Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact O-N 3.18Å; V169-K171 PolarHBondContact O-N 2.81Å; V169-F172 PolarHBondContact O-N 3.06Å; V169-W173 PolarHBondContact O-N 2.86Å; V169-V210 HydrophobicContact CG1-CG1 4.19Å; V169-V210 HydrophobicContact CG2-CG1 4.39Å; V169-A211 HydrophobicContact CG2-CB 3.9Å; V169-L214 HydrophobicContact CG2-CD1 3.76Å |
| 170 | K | 91.1 | Very high | 89.2 | Confident | 112 Ų | 112 | 73.3 Ų | 73.3 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 177.3 | -67.3 | 172.9 | -164.9 | 158.5 | 0 | 112.5 | S166 D167 L168 F172 W173 E174 | S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 3.39Å; S166-K170 VanDerWaalsContact O-N 3.09Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.46Å; D167-K170 IonicContact OD1-NZ 2.94Å; D167-K170 PolarHBondContact OD1-NZ 3.14Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.24Å; K170-F172 VanDerWaalsContact C-N 3.35Å; K170-F172 PolarHBondContact O-N 3.41Å; K170-W173 CarbonylContact O-C 3.55Å; K170-W173 WeakPolarHBondContact O-CA 3.34Å; K170-W173 WeakPolarHBondContact O-CB 3.4Å; K170-W173 PolarHBondContact O-N 3.08Å; K170-E174 PolarHBondContact O-N 3.31Å |
| 171 | K | 91.1 | Very high | 89.4 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 177.7 | -71.8 | -67.1 | -173 | 178 | 0 | 111.9 | D167 L168 V169 W173 E174 I175 | D167-K171 WeakPolarHBondContact O-CG 3.42Å; D167-K171 PolarHBondContact O-N 3.39Å; L168-K171 PolarHBondContact O-N 3.28Å; V169-K171 PolarHBondContact O-N 2.81Å; K171-W173 VanDerWaalsContact C-N 3.29Å; K171-W173 PolarHBondContact O-N 2.93Å; K171-E174 PolarHBondContact O-N 3.05Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.11Å; K171-I175 PolarHBondContact O-N 2.96Å |
| 172 | F | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -35 | 175 | -87.5 | -94.3 | 0 | 0 | 0 | 112.6 | M154 I158 L168 V169 K170 A176 W196 L199 F200 M207 V210 L214 | M154-F172 HydrophobicContact CE-CE2 4.29Å; M154-F172 HydrophobicContact CE-CZ 4.01Å; M154-F172 HydrophobicContact SD-CE2 3.52Å; M154-F172 VanDerWaalsContact SD-CE2 3.52Å; M154-F172 HydrophobicContact SD-CZ 3.49Å; M154-F172 WeakPolarHBondContact SD-CZ 3.41Å; I158-F172 HydrophobicContact CD1-CE2 3.93Å; I158-F172 HydrophobicContact CG1-CE2 4.48Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.4Å; V169-F172 PolarHBondContact O-N 3.06Å; K170-F172 VanDerWaalsContact C-N 3.35Å; K170-F172 PolarHBondContact O-N 3.41Å; F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.33Å; F172-W196 HydrophobicContact CB-CH2 4.29Å; F172-W196 HydrophobicContact CB-CZ2 4.4Å; F172-W196 HydrophobicContact CD1-CD2 4.22Å; F172-W196 AromaticContact CD1-CE2 3.65Å; F172-W196 HydrophobicContact CD1-CE3 4.47Å; F172-W196 AromaticContact CD1-CH2 3.59Å; F172-W196 HydrophobicContact CD1-CH2 3.59Å; F172-W196 AromaticContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ3 4.18Å; F172-W196 HydrophobicContact CE1-CD2 4.14Å; F172-W196 AromaticContact CE1-CE2 3.73Å; F172-W196 HydrophobicContact CE1-CH2 4.44Å; F172-W196 AromaticContact CE1-CZ2 3.93Å; F172-W196 HydrophobicContact CE1-CZ2 3.93Å; F172-W196 AromaticContact CE1-NE1 3.91Å; F172-W196 HydrophobicContact CG-CH2 4.43Å; F172-W196 HydrophobicContact CG-CZ2 4.26Å; F172-L199 HydrophobicContact CZ-CD1 4.19Å; F172-F200 AromaticContact CD1-CE2 3.95Å; F172-F200 HydrophobicContact CD1-CE2 3.95Å; F172-F200 AromaticContact CD1-CZ 3.95Å; F172-F200 HydrophobicContact CD1-CZ 3.95Å; F172-F200 AromaticContact CE1-CE2 3.44Å; F172-F200 HydrophobicContact CE1-CE2 3.44Å; F172-F200 VanDerWaalsContact CE1-CE2 3.44Å; F172-F200 AromaticContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CE1-CZ 3.41Å; F172-F200 VanDerWaalsContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CZ-CE2 4.19Å; F172-F200 AromaticContact CZ-CZ 3.74Å; F172-F200 HydrophobicContact CZ-CZ 3.74Å; F172-M207 VanDerWaalsContact C-CE 3.49Å; F172-M207 HydrophobicContact CB-CE 4.37Å; F172-M207 VanDerWaalsContact O-CE 3.27Å; F172-M207 WeakPolarHBondContact O-CE 3.39Å; F172-V210 HydrophobicContact CB-CG2 4.2Å; F172-V210 HydrophobicContact CD1-CG2 4.19Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-L214 HydrophobicContact CD2-CD1 4.39Å; F172-L214 HydrophobicContact CD2-CD2 3.82Å; F172-L214 HydrophobicContact CE2-CD2 3.5Å; F172-L214 HydrophobicContact CZ-CD2 4Å |
| 173 | W | 91.2 | Very high | 89.9 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -33 | 173.6 | -84.8 | 100.6 | 0 | 0 | 0 | 114 | V169 K170 K171 R177 F182 M207 | V169-W173 PolarHBondContact O-N 2.86Å; K170-W173 CarbonylContact O-C 3.55Å; K170-W173 WeakPolarHBondContact O-CA 3.34Å; K170-W173 WeakPolarHBondContact O-CB 3.4Å; K170-W173 PolarHBondContact O-N 3.08Å; K171-W173 VanDerWaalsContact C-N 3.29Å; K171-W173 PolarHBondContact O-N 2.93Å; W173-R177 WeakPolarHBondContact O-CG 3.41Å; W173-R177 PolarHBondContact O-N 3.48Å; W173-R177 PolarHBondContact O-NE 3.08Å; W173-F182 HydrophobicContact CE3-CZ 4.05Å; W173-F182 HydrophobicContact CZ3-CE1 4.19Å; W173-F182 AromaticContact CZ3-CZ 3.92Å; W173-F182 HydrophobicContact CZ3-CZ 3.92Å; W173-M207 HydrophobicContact CB-CE 4.06Å; W173-M207 HydrophobicContact CD2-CE 3.62Å; W173-M207 HydrophobicContact CD2-CG 3.87Å; W173-M207 HydrophobicContact CE3-CE 4.06Å; W173-M207 HydrophobicContact CE3-CG 3.86Å; W173-M207 HydrophobicContact CG-CE 3.6Å; W173-M207 HydrophobicContact CH2-CB 4.05Å; W173-M207 HydrophobicContact CH2-CG 3.57Å; W173-M207 HydrophobicContact CZ2-CB 4.2Å; W173-M207 HydrophobicContact CZ2-CG 3.56Å; W173-M207 HydrophobicContact CZ3-CB 4.48Å; W173-M207 HydrophobicContact CZ3-CG 3.71Å |
| 174 | E | 93.6 | Very high | 90 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.7 | -52.9 | 173.5 | -72.1 | 163 | -168.6 | 0 | 0 | 109.9 | K170 K171 A176 R177 E178 | K170-E174 PolarHBondContact O-N 3.31Å; K171-E174 PolarHBondContact O-N 3.05Å; E174-A176 VanDerWaalsContact C-N 3.33Å; E174-A176 PolarHBondContact O-N 2.86Å; E174-R177 PolarHBondContact O-N 3.25Å; E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 2.96Å |
| 175 | I | 91.5 | Very high | 90.2 | Very high | 33 Ų | 33 | 72 Ų | 72 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 179.2 | -65.4 | 170.1 | 0 | 0 | 0 | 111.7 | Y157 K171 R177 E178 Q179 W196 | Y157-I175 HydrophobicContact CE1-CD1 3.71Å; Y157-I175 HydrophobicContact CE1-CG2 4.49Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.44Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.11Å; K171-I175 PolarHBondContact O-N 2.96Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 2.82Å; I175-E178 PolarHBondContact O-N 2.83Å; I175-Q179 HydrophobicContact CG2-CG 4.46Å; I175-Q179 WeakPolarHBondContact O-CB 3.35Å; I175-Q179 PolarHBondContact O-N 3.15Å; I175-W196 HydrophobicContact CB-CZ2 4.25Å; I175-W196 HydrophobicContact CG2-CZ2 3.89Å |
| 176 | A | 90.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F172 E174 D180 L181 F182 V190 W196 M207 | F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.33Å; E174-A176 VanDerWaalsContact C-N 3.33Å; E174-A176 PolarHBondContact O-N 2.86Å; A176-D180 PolarHBondContact O-N 3.15Å; A176-L181 PolarHBondContact O-N 3Å; A176-F182 HydrophobicContact CB-CD2 4.44Å; A176-F182 HydrophobicContact CB-CE2 3.6Å; A176-F182 HydrophobicContact CB-CZ 3.77Å; A176-F182 WeakPolarHBondContact O-CD2 3.37Å; A176-F182 WeakPolarHBondContact O-CE2 3.48Å; A176-V190 HydrophobicContact CB-CG2 4.42Å; A176-W196 HydrophobicContact CB-CH2 3.77Å; A176-W196 HydrophobicContact CB-CZ2 4.37Å; A176-M207 HydrophobicContact CB-CE 3.67Å; A176-M207 HydrophobicContact CB-SD 4.3Å |
| 177 | R | 90.7 | Very high | 90.3 | Very high | 150 Ų | 150 | 77.3 Ų | 77.3 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -80 | -38.3 | 180 | -75.1 | -176.4 | -70.5 | 167.6 | 3.4 | 111.3 | W173 E174 I175 D180 F182 | W173-R177 WeakPolarHBondContact O-CG 3.41Å; W173-R177 PolarHBondContact O-N 3.48Å; W173-R177 PolarHBondContact O-NE 3.08Å; E174-R177 PolarHBondContact O-N 3.25Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 2.82Å; R177-D180 PolarHBondContact O-N 3.49Å; R177-F182 HydrophobicContact CB-CE2 4.45Å; R177-F182 HydrophobicContact CG-CE2 3.64Å; R177-F182 HydrophobicContact CG-CZ 4.32Å |
| 178 | E | 92.8 | Very high | 90.3 | Very high | 165 Ų | 165 | 80.1 Ų | 80.1 | 77% | 0.771 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.2 | -32.8 | -179.6 | -172.3 | 156.9 | -156.2 | 0 | 0 | 112.6 | E174 I175 | E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 2.96Å; I175-E178 PolarHBondContact O-N 2.83Å |
| 179 | Q | 89.8 | Confident | 90.5 | Very high | 88 Ų | 88 | 83.2 Ų | 83.2 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.9 | 175.5 | -64.5 | -171.6 | -20.1 | 0 | 0 | 113.6 | I175 L181 N193 | I175-Q179 HydrophobicContact CG2-CG 4.46Å; I175-Q179 WeakPolarHBondContact O-CB 3.35Å; I175-Q179 PolarHBondContact O-N 3.15Å; Q179-L181 HydrophobicContact CB-CD1 3.88Å; Q179-L181 HydrophobicContact CB-CG 3.76Å; Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.09Å; Q179-N193 PolarHBondContact OE1-ND2 3.28Å |
| 180 | D | 88.6 | Confident | 90.6 | Very high | 137 Ų | 137 | 81.7 Ų | 81.7 | 73% | 0.733 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.1 | 41.5 | -175.9 | -77.2 | -52 | 0 | 0 | 0 | 113.8 | A176 R177 F182 | A176-D180 PolarHBondContact O-N 3.15Å; R177-D180 PolarHBondContact O-N 3.49Å; D180-F182 PolarHBondContact O-N 3.42Å; D180-F182 VanDerWaalsContact O-N 3.11Å |
| 181 | L | 89.5 | Confident | 90.5 | Very high | 11 Ų | 11 | 79.3 Ų | 79.3 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | trans | -73.5 | -2 | -175 | -79.4 | 170 | 0 | 0 | 0 | 114.3 | A176 Q179 V190 V191 N193 W196 | A176-L181 PolarHBondContact O-N 3Å; Q179-L181 HydrophobicContact CB-CD1 3.88Å; Q179-L181 HydrophobicContact CB-CG 3.76Å; Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.09Å; L181-V190 HydrophobicContact CB-CG1 3.83Å; L181-V190 WeakPolarHBondContact O-CA 3.42Å; L181-V191 WeakPolarHBondContact CD2-O 3.1Å; L181-V191 PolarHBondContact O-N 3.26Å; L181-N193 HydrophobicContact CD2-CB 4.11Å; L181-N193 WeakPolarHBondContact CD2-ND2 3.34Å; L181-N193 WeakPolarHBondContact CD2-OD1 3.47Å; L181-W196 HydrophobicContact CD1-CD2 4.35Å; L181-W196 HydrophobicContact CD1-CZ2 4.18Å | ||
| 182 | F | 91.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 76.2 Ų | 76.2 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.1 | -179.3 | -69.6 | -81.8 | 0 | 0 | 0 | 110.9 | W173 A176 R177 D180 K187 V190 M207 | W173-F182 HydrophobicContact CE3-CZ 4.05Å; W173-F182 HydrophobicContact CZ3-CE1 4.19Å; W173-F182 AromaticContact CZ3-CZ 3.92Å; W173-F182 HydrophobicContact CZ3-CZ 3.92Å; A176-F182 HydrophobicContact CB-CD2 4.44Å; A176-F182 HydrophobicContact CB-CE2 3.6Å; A176-F182 HydrophobicContact CB-CZ 3.77Å; A176-F182 WeakPolarHBondContact O-CD2 3.37Å; A176-F182 WeakPolarHBondContact O-CE2 3.48Å; R177-F182 HydrophobicContact CB-CE2 4.45Å; R177-F182 HydrophobicContact CG-CE2 3.64Å; R177-F182 HydrophobicContact CG-CZ 4.32Å; D180-F182 PolarHBondContact O-N 3.42Å; D180-F182 VanDerWaalsContact O-N 3.11Å; F182-K187 VanDerWaalsContact CD1-O 3.25Å; F182-K187 WeakPolarHBondContact CD1-O 3.49Å; F182-V190 HydrophobicContact CD1-CG2 3.57Å; F182-V190 HydrophobicContact CE1-CG2 3.54Å; F182-V190 HydrophobicContact CG-CG2 4.2Å; F182-V190 HydrophobicContact CZ-CG2 4.13Å; F182-M207 HydrophobicContact CE1-CB 3.85Å; F182-M207 HydrophobicContact CE1-CG 3.78Å; F182-M207 HydrophobicContact CZ-CG 4Å |
| 183 | D | 89.7 | Confident | 90.3 | Very high | 39 Ų | 39 | 79.1 Ų | 79.1 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 123.3 | 176 | -90.9 | -46.5 | 0 | 0 | 0 | 110.1 | N185 N186 K187 F189 V191 | D183-N185 PolarHBondContact O-N 2.96Å; D183-N186 WeakPolarHBondContact CB-O 3.47Å; D183-N186 CarbonylContact O-C 3.6Å; D183-N186 PolarHBondContact O-N 3.02Å; D183-K187 PolarHBondContact O-N 3Å; D183-F189 HydrophobicContact CB-CB 4.28Å; D183-F189 PolarHBondContact N-O 2.9Å; D183-F189 VanDerWaalsContact OD2-CB 3.22Å; D183-F189 WeakPolarHBondContact OD2-CB 3.5Å; D183-V191 VanDerWaalsContact CG-CG2 3.46Å; D183-V191 WeakPolarHBondContact OD1-CG2 3.18Å |
| 184 | P | 88.8 | Confident | 90.2 | Very high | 114 Ų | 114 | 81.6 Ų | 81.6 | 74% | 0.74 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.5 | -177.6 | 23.6 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 185 | N | 89.8 | Confident | 89.8 | Confident | 162 Ų | 162 | 80.6 Ų | 80.6 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.3 | 176.2 | -65.3 | -32.5 | 0 | 0 | 0 | 112.8 | D183 | D183-N185 PolarHBondContact O-N 2.96Š|
| 186 | N | 89.1 | Confident | 89.7 | Confident | 64 Ų | 64 | 79 Ų | 79 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 90.6 | -177 | -167.7 | -12.9 | 0 | 0 | 0 | 111.2 | D183 Q188 F189 | D183-N186 WeakPolarHBondContact CB-O 3.47Å; D183-N186 CarbonylContact O-C 3.6Å; D183-N186 PolarHBondContact O-N 3.02Å; N186-Q188 PolarHBondContact O-N 2.87Å; N186-Q188 VanDerWaalsContact OD1-CB 3.28Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.5Å; N186-Q188 VanDerWaalsContact OD1-CG 3.3Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.4Å; N186-Q188 PolarHBondContact OD1-N 3.13Å; N186-F189 HydrophobicContact CB-CD2 4.11Å; N186-F189 WeakPolarHBondContact ND2-CD2 3.45Å; N186-F189 WeakPolarHBondContact ND2-CE2 3.2Å; N186-F189 PolarHBondContact O-N 3.02Å |
| 187 | K | 87.3 | Confident | 89.5 | Confident | 167 Ų | 167 | 82.8 Ų | 82.8 | 73% | 0.726 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 0.1 | 179.6 | -56.6 | -172.8 | 179.7 | -168.9 | 0 | 115 | F182 D183 | F182-K187 VanDerWaalsContact CD1-O 3.25Å; F182-K187 WeakPolarHBondContact CD1-O 3.49Å; D183-K187 PolarHBondContact O-N 3Å |
| 188 | Q | 90.6 | Very high | 89.3 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 55% | 0.547 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -28.3 | 168.9 | -58.3 | -176.5 | -2.1 | 0 | 0 | 112.2 | N186 R206 M207 | N186-Q188 PolarHBondContact O-N 2.87Å; N186-Q188 VanDerWaalsContact OD1-CB 3.28Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.5Å; N186-Q188 VanDerWaalsContact OD1-CG 3.3Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.4Å; N186-Q188 PolarHBondContact OD1-N 3.13Å; Q188-R206 HydrophobicContact CB-CG 4.35Å; Q188-R206 CarbonylContact O-C 3.08Å; Q188-R206 WeakPolarHBondContact O-CA 3.35Å; Q188-R206 WeakPolarHBondContact O-CG 3.37Å; Q188-M207 PolarHBondContact O-N 2.98Å |
| 189 | F | 91.8 | Very high | 89 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 143.4 | -179.9 | -69 | -89.7 | 0 | 0 | 0 | 110.7 | D183 N186 F205 R206 | D183-F189 HydrophobicContact CB-CB 4.28Å; D183-F189 PolarHBondContact N-O 2.9Å; D183-F189 VanDerWaalsContact OD2-CB 3.22Å; D183-F189 WeakPolarHBondContact OD2-CB 3.5Å; N186-F189 HydrophobicContact CB-CD2 4.11Å; N186-F189 WeakPolarHBondContact ND2-CD2 3.45Å; N186-F189 WeakPolarHBondContact ND2-CE2 3.2Å; N186-F189 PolarHBondContact O-N 3.02Å; F189-F205 WeakPolarHBondContact CA-O 3.47Å; F189-R206 HydrophobicContact CD1-CB 4.44Å; F189-R206 HydrophobicContact CE1-CB 4.34Å |
| 190 | V | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.9 | 171.7 | 165.5 | 0 | 0 | 0 | 0 | 107.4 | A176 L181 F182 W196 R204 F205 M207 | A176-V190 HydrophobicContact CB-CG2 4.42Å; L181-V190 HydrophobicContact CB-CG1 3.83Å; L181-V190 WeakPolarHBondContact O-CA 3.42Å; F182-V190 HydrophobicContact CD1-CG2 3.57Å; F182-V190 HydrophobicContact CE1-CG2 3.54Å; F182-V190 HydrophobicContact CG-CG2 4.2Å; F182-V190 HydrophobicContact CZ-CG2 4.13Å; V190-W196 HydrophobicContact CB-CZ3 4.34Å; V190-W196 HydrophobicContact CG1-CE3 3.75Å; V190-W196 HydrophobicContact CG1-CH2 4.28Å; V190-W196 HydrophobicContact CG1-CZ3 3.38Å; V190-R204 VanDerWaalsContact O-CA 3.32Å; V190-R204 WeakPolarHBondContact O-CA 3.3Å; V190-F205 PolarHBondContact N-O 3.23Å; V190-F205 PolarHBondContact O-N 3.2Å; V190-F205 VanDerWaalsContact O-N 3.07Å; V190-M207 HydrophobicContact CG2-CB 3.82Å; V190-M207 HydrophobicContact CG2-CG 4.05Å; V190-M207 HydrophobicContact CG2-SD 3.78Å |
| 191 | V | 90.5 | Very high | 88.7 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.6 | 168.6 | -175.4 | 0 | 0 | 0 | 0 | 106.8 | L181 D183 N193 | L181-V191 WeakPolarHBondContact CD2-O 3.1Å; L181-V191 PolarHBondContact O-N 3.26Å; D183-V191 VanDerWaalsContact CG-CG2 3.46Å; D183-V191 WeakPolarHBondContact OD1-CG2 3.18Å; V191-N193 PolarHBondContact O-N 3.25Å |
| 192 | C | 88.6 | Confident | 88.5 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 127.6 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | W196 Q197 L202 K203 F205 | C192-W196 HydrophobicContact CB-CB 3.71Å; C192-Q197 HydrophobicContact CB-CB 4.21Å; C192-L202 WeakPolarHBondContact CB-O 3.43Å; C192-L202 PolarHBondContact SG-O 3.03Å; C192-K203 PolarHBondContact N-O 3.03Å; C192-F205 WeakPolarHBondContact SG-CD1 3.48Å; C192-F205 WeakPolarHBondContact SG-CE1 3.28Å |
| 193 | N | 88.3 | Confident | 88.3 | Confident | 61 Ų | 61 | 81 Ų | 81 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 172 | 159.9 | -79.2 | -17.4 | 0 | 0 | 0 | 110.8 | Q179 L181 V191 D195 W196 Q197 | Q179-N193 PolarHBondContact OE1-ND2 3.28Å; L181-N193 HydrophobicContact CD2-CB 4.11Å; L181-N193 WeakPolarHBondContact CD2-ND2 3.34Å; L181-N193 WeakPolarHBondContact CD2-OD1 3.47Å; V191-N193 PolarHBondContact O-N 3.25Å; N193-D195 PolarHBondContact O-N 2.91Å; N193-W196 PolarHBondContact O-N 2.9Å; N193-W196 VanDerWaalsContact O-N 3.13Å; N193-Q197 WeakPolarHBondContact O-CB 3.37Å; N193-Q197 PolarHBondContact O-N 3.43Å |
| 194 | E | 88.2 | Confident | 88.3 | Confident | 140 Ų | 140 | 87.5 Ų | 87.5 | 65% | 0.654 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -52.9 | -41.4 | 179.7 | -63.8 | -171.4 | -179.5 | 0 | 0 | 112.4 | Q197 R198 | E194-Q197 PolarHBondContact O-N 3.19Å; E194-R198 WeakPolarHBondContact O-CG 3.24Å; E194-R198 PolarHBondContact O-N 3.41Å |
| 195 | D | 86.3 | Confident | 88.4 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 179.3 | -57.2 | -40.9 | 0 | 0 | 0 | 112.2 | Y157 N193 Q197 R198 L199 | Y157-D195 HydrophobicContact CD2-CB 3.82Å; Y157-D195 HydrophobicContact CE2-CB 3.39Å; N193-D195 PolarHBondContact O-N 2.91Å; D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 2.98Å; D195-R198 PolarHBondContact O-N 3.14Å; D195-L199 WeakPolarHBondContact O-CG 3.33Å; D195-L199 PolarHBondContact O-N 2.87Å |
| 196 | W | 88.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -31.1 | 178.2 | -74.6 | 35.6 | 0 | 0 | 0 | 111.4 | Y157 F172 I175 A176 L181 V190 C192 N193 F200 F205 M207 | Y157-W196 AromaticContact CE1-NE1 3.81Å; Y157-W196 AromaticContact CZ-CD1 3.99Å; Y157-W196 AromaticContact CZ-NE1 3.73Å; Y157-W196 PolarHBondContact OH-NE1 2.89Å; F172-W196 HydrophobicContact CB-CH2 4.29Å; F172-W196 HydrophobicContact CB-CZ2 4.4Å; F172-W196 HydrophobicContact CD1-CD2 4.22Å; F172-W196 AromaticContact CD1-CE2 3.65Å; F172-W196 HydrophobicContact CD1-CE3 4.47Å; F172-W196 AromaticContact CD1-CH2 3.59Å; F172-W196 HydrophobicContact CD1-CH2 3.59Å; F172-W196 AromaticContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ3 4.18Å; F172-W196 HydrophobicContact CE1-CD2 4.14Å; F172-W196 AromaticContact CE1-CE2 3.73Å; F172-W196 HydrophobicContact CE1-CH2 4.44Å; F172-W196 AromaticContact CE1-CZ2 3.93Å; F172-W196 HydrophobicContact CE1-CZ2 3.93Å; F172-W196 AromaticContact CE1-NE1 3.91Å; F172-W196 HydrophobicContact CG-CH2 4.43Å; F172-W196 HydrophobicContact CG-CZ2 4.26Å; I175-W196 HydrophobicContact CB-CZ2 4.25Å; I175-W196 HydrophobicContact CG2-CZ2 3.89Å; A176-W196 HydrophobicContact CB-CH2 3.77Å; A176-W196 HydrophobicContact CB-CZ2 4.37Å; L181-W196 HydrophobicContact CD1-CD2 4.35Å; L181-W196 HydrophobicContact CD1-CZ2 4.18Å; V190-W196 HydrophobicContact CB-CZ3 4.34Å; V190-W196 HydrophobicContact CG1-CE3 3.75Å; V190-W196 HydrophobicContact CG1-CH2 4.28Å; V190-W196 HydrophobicContact CG1-CZ3 3.38Å; C192-W196 HydrophobicContact CB-CB 3.71Å; N193-W196 PolarHBondContact O-N 2.9Å; N193-W196 VanDerWaalsContact O-N 3.13Å; W196-F200 HydrophobicContact CB-CD2 4.3Å; W196-F200 HydrophobicContact CD2-CE2 4.32Å; W196-F200 HydrophobicContact CE3-CE2 4.22Å; W196-F200 WeakPolarHBondContact O-CB 3.46Å; W196-F200 WeakPolarHBondContact O-CD2 3.38Å; W196-F200 PolarHBondContact O-N 2.96Å; W196-F205 AromaticContact CE3-CE1 3.71Å; W196-F205 HydrophobicContact CE3-CE1 3.71Å; W196-F205 AromaticContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CZ3-CE1 4.08Å; W196-F205 HydrophobicContact CZ3-CE2 4.33Å; W196-F205 AromaticContact CZ3-CZ 3.44Å; W196-F205 HydrophobicContact CZ3-CZ 3.44Å; W196-F205 VanDerWaalsContact CZ3-CZ 3.44Å; W196-M207 HydrophobicContact CH2-CE 4.19Å; W196-M207 HydrophobicContact CH2-SD 4.32Å; W196-M207 HydrophobicContact CZ3-SD 4.32Å |
| 197 | Q | 88 | Confident | 88.5 | Confident | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.7 | -36.1 | 174.7 | -168.9 | 175.2 | -0.5 | 0 | 0 | 111 | C192 N193 E194 D195 N201 | C192-Q197 HydrophobicContact CB-CB 4.21Å; N193-Q197 WeakPolarHBondContact O-CB 3.37Å; N193-Q197 PolarHBondContact O-N 3.43Å; E194-Q197 PolarHBondContact O-N 3.19Å; D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 2.98Å; Q197-N201 WeakPolarHBondContact O-CA 3.43Å; Q197-N201 PolarHBondContact O-N 3.35Å |
| 198 | R | 86.2 | Confident | 88.5 | Confident | 173 Ų | 173 | 77.8 Ų | 77.8 | 65% | 0.653 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | 172.4 | -71.5 | 173.7 | -169.7 | -162.4 | 6.7 | 111.7 | E194 D195 N201 | E194-R198 WeakPolarHBondContact O-CG 3.24Å; E194-R198 PolarHBondContact O-N 3.41Å; D195-R198 PolarHBondContact O-N 3.14Å; R198-N201 PolarHBondContact O-ND2 3.17Å |
| 199 | L | 86 | Confident | 88.4 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -59.6 | 179.6 | -66.9 | 170.6 | 0 | 0 | 0 | 111.1 | E153 M154 Y157 F172 D195 H217 | E153-L199 HydrophobicContact CB-CD2 3.77Å; M154-L199 HydrophobicContact CE-CB 4.48Å; M154-L199 HydrophobicContact CE-CD1 4.14Å; M154-L199 HydrophobicContact CE-CD2 4.16Å; M154-L199 HydrophobicContact SD-CD1 4.07Å; M154-L199 HydrophobicContact SD-CD2 4.49Å; Y157-L199 HydrophobicContact CD1-CD1 4.21Å; Y157-L199 HydrophobicContact CG-CD1 4.18Å; F172-L199 HydrophobicContact CZ-CD1 4.19Å; D195-L199 WeakPolarHBondContact O-CG 3.33Å; D195-L199 PolarHBondContact O-N 2.87Å; L199-H217 PolarHBondContact O-CE1 2.96Å; L199-H217 PolarHBondContact O-NE2 3.04Å |
| 200 | F | 86.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -90.7 | -11.8 | -170.1 | -56.6 | -50.2 | 0 | 0 | 0 | 114.7 | M154 F172 W196 L202 F205 V210 H213 L214 | M154-F200 HydrophobicContact CE-CE1 4.13Å; M154-F200 HydrophobicContact CE-CZ 4.45Å; F172-F200 AromaticContact CD1-CE2 3.95Å; F172-F200 HydrophobicContact CD1-CE2 3.95Å; F172-F200 AromaticContact CD1-CZ 3.95Å; F172-F200 HydrophobicContact CD1-CZ 3.95Å; F172-F200 AromaticContact CE1-CE2 3.44Å; F172-F200 HydrophobicContact CE1-CE2 3.44Å; F172-F200 VanDerWaalsContact CE1-CE2 3.44Å; F172-F200 AromaticContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CE1-CZ 3.41Å; F172-F200 VanDerWaalsContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CZ-CE2 4.19Å; F172-F200 AromaticContact CZ-CZ 3.74Å; F172-F200 HydrophobicContact CZ-CZ 3.74Å; W196-F200 HydrophobicContact CB-CD2 4.3Å; W196-F200 HydrophobicContact CD2-CE2 4.32Å; W196-F200 HydrophobicContact CE3-CE2 4.22Å; W196-F200 WeakPolarHBondContact O-CB 3.46Å; W196-F200 WeakPolarHBondContact O-CD2 3.38Å; W196-F200 PolarHBondContact O-N 2.96Å; F200-L202 HydrophobicContact CB-CB 4.39Å; F200-L202 HydrophobicContact CB-CD1 4.2Å; F200-L202 WeakPolarHBondContact O-CG 3.34Å; F200-L202 PolarHBondContact O-N 2.78Å; F200-F205 HydrophobicContact CD2-CD1 4.5Å; F200-F205 AromaticContact CD2-CE1 3.59Å; F200-F205 HydrophobicContact CD2-CE1 3.59Å; F200-F205 AromaticContact CD2-CZ 3.96Å; F200-F205 HydrophobicContact CD2-CZ 3.96Å; F200-F205 AromaticContact CE2-CE1 3.99Å; F200-F205 HydrophobicContact CE2-CE1 3.99Å; F200-F205 AromaticContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CG-CE1 4.44Å; F200-V210 HydrophobicContact CE2-CG2 4.33Å; F200-V210 HydrophobicContact CZ-CG2 4.05Å; F200-H213 HydrophobicContact CB-CB 4.47Å; F200-H213 HydrophobicContact CD1-CB 3.33Å; F200-H213 HydrophobicContact CE1-CB 3.6Å; F200-H213 HydrophobicContact CG-CB 3.99Å; F200-H213 HydrophobicContact CZ-CB 4.46Å; F200-L214 HydrophobicContact CE1-CD2 3.91Å; F200-L214 HydrophobicContact CE1-CG 4.35Å; F200-L214 HydrophobicContact CZ-CD2 3.82Å; F200-L214 HydrophobicContact CZ-CG 4.37Å |
| 201 | N | 85.3 | Confident | 88 | Confident | 135 Ų | 135 | 71.7 Ų | 71.7 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | trans | 53.9 | 31.9 | -174.5 | -67.7 | -66.8 | 0 | 0 | 0 | 113.4 | Q197 R198 | Q197-N201 WeakPolarHBondContact O-CA 3.43Å; Q197-N201 PolarHBondContact O-N 3.35Å; R198-N201 PolarHBondContact O-ND2 3.17Å | ||
| 202 | L | 85.7 | Confident | 87.8 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | trans | -125.8 | 139.9 | -178.3 | -74.6 | 156.5 | 0 | 0 | 0 | 109.1 | C192 F200 F205 H213 | C192-L202 WeakPolarHBondContact CB-O 3.43Å; C192-L202 PolarHBondContact SG-O 3.03Å; F200-L202 HydrophobicContact CB-CB 4.39Å; F200-L202 HydrophobicContact CB-CD1 4.2Å; F200-L202 WeakPolarHBondContact O-CG 3.34Å; F200-L202 PolarHBondContact O-N 2.78Å; L202-F205 HydrophobicContact CB-CD1 4.45Å; L202-H213 WeakPolarHBondContact CD1-CD2 3.32Å; L202-H213 WeakPolarHBondContact CD1-NE2 3.41Å | ||
| 203 | K | 87.1 | Confident | 87.7 | Confident | 160 Ų | 160 | 78.1 Ų | 78.1 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -80.8 | -32.5 | 175.4 | -64.3 | -175.9 | 178.5 | -177.8 | 0 | 112.6 | C192 | C192-K203 PolarHBondContact N-O 3.03Š|
| 204 | R | 89.3 | Confident | 87.6 | Confident | 176 Ų | 176 | 75.3 Ų | 75.3 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 142.2 | 179.4 | 58.6 | 180 | 163.5 | 144.6 | -3.5 | 109.5 | V190 | V190-R204 VanDerWaalsContact O-CA 3.32Å; V190-R204 WeakPolarHBondContact O-CA 3.3Å |
| 205 | F | 90.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.044 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165.2 | 170.3 | 65.1 | -93.6 | 0 | 0 | 0 | 111.1 | F189 V190 C192 W196 F200 L202 M207 V210 | F189-F205 WeakPolarHBondContact CA-O 3.47Å; V190-F205 PolarHBondContact N-O 3.23Å; V190-F205 PolarHBondContact O-N 3.2Å; V190-F205 VanDerWaalsContact O-N 3.07Å; C192-F205 WeakPolarHBondContact SG-CD1 3.48Å; C192-F205 WeakPolarHBondContact SG-CE1 3.28Å; W196-F205 AromaticContact CE3-CE1 3.71Å; W196-F205 HydrophobicContact CE3-CE1 3.71Å; W196-F205 AromaticContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CZ3-CE1 4.08Å; W196-F205 HydrophobicContact CZ3-CE2 4.33Å; W196-F205 AromaticContact CZ3-CZ 3.44Å; W196-F205 HydrophobicContact CZ3-CZ 3.44Å; W196-F205 VanDerWaalsContact CZ3-CZ 3.44Å; F200-F205 HydrophobicContact CD2-CD1 4.5Å; F200-F205 AromaticContact CD2-CE1 3.59Å; F200-F205 HydrophobicContact CD2-CE1 3.59Å; F200-F205 AromaticContact CD2-CZ 3.96Å; F200-F205 HydrophobicContact CD2-CZ 3.96Å; F200-F205 AromaticContact CE2-CE1 3.99Å; F200-F205 HydrophobicContact CE2-CE1 3.99Å; F200-F205 AromaticContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CG-CE1 4.44Å; L202-F205 HydrophobicContact CB-CD1 4.45Å; F205-M207 HydrophobicContact CE2-SD 4.35Å; F205-V210 HydrophobicContact CE2-CB 3.82Å; F205-V210 HydrophobicContact CE2-CG2 3.82Å; F205-V210 HydrophobicContact CZ-CB 4.47Å; F205-V210 HydrophobicContact CZ-CG2 3.98Å |
| 206 | R | 91.3 | Very high | 87.2 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.6 | 177.3 | -169.9 | 163.9 | 67.1 | 114.8 | -3.1 | 109.9 | Q188 F189 F208 G209 | Q188-R206 HydrophobicContact CB-CG 4.35Å; Q188-R206 CarbonylContact O-C 3.08Å; Q188-R206 WeakPolarHBondContact O-CA 3.35Å; Q188-R206 WeakPolarHBondContact O-CG 3.37Å; F189-R206 HydrophobicContact CD1-CB 4.44Å; F189-R206 HydrophobicContact CE1-CB 4.34Å; R206-F208 VanDerWaalsContact C-N 3.27Å; R206-F208 PolarHBondContact O-N 3.1Å; R206-G209 WeakPolarHBondContact O-CA 3.42Å; R206-G209 PolarHBondContact O-N 3.38Å |
| 207 | M | 90 | Very high | 86.9 | Confident | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -57.1 | -39.7 | -171.2 | -171.2 | 52.6 | 177.5 | 0 | 0 | 113.3 | F172 W173 A176 F182 Q188 V190 W196 F205 G209 V210 | F172-M207 VanDerWaalsContact C-CE 3.49Å; F172-M207 HydrophobicContact CB-CE 4.37Å; F172-M207 VanDerWaalsContact O-CE 3.27Å; F172-M207 WeakPolarHBondContact O-CE 3.39Å; W173-M207 HydrophobicContact CB-CE 4.06Å; W173-M207 HydrophobicContact CD2-CE 3.62Å; W173-M207 HydrophobicContact CD2-CG 3.87Å; W173-M207 HydrophobicContact CE3-CE 4.06Å; W173-M207 HydrophobicContact CE3-CG 3.86Å; W173-M207 HydrophobicContact CG-CE 3.6Å; W173-M207 HydrophobicContact CH2-CB 4.05Å; W173-M207 HydrophobicContact CH2-CG 3.57Å; W173-M207 HydrophobicContact CZ2-CB 4.2Å; W173-M207 HydrophobicContact CZ2-CG 3.56Å; W173-M207 HydrophobicContact CZ3-CB 4.48Å; W173-M207 HydrophobicContact CZ3-CG 3.71Å; A176-M207 HydrophobicContact CB-CE 3.67Å; A176-M207 HydrophobicContact CB-SD 4.3Å; F182-M207 HydrophobicContact CE1-CB 3.85Å; F182-M207 HydrophobicContact CE1-CG 3.78Å; F182-M207 HydrophobicContact CZ-CG 4Å; Q188-M207 PolarHBondContact O-N 2.98Å; V190-M207 HydrophobicContact CG2-CB 3.82Å; V190-M207 HydrophobicContact CG2-CG 4.05Å; V190-M207 HydrophobicContact CG2-SD 3.78Å; W196-M207 HydrophobicContact CH2-CE 4.19Å; W196-M207 HydrophobicContact CH2-SD 4.32Å; W196-M207 HydrophobicContact CZ3-SD 4.32Å; F205-M207 HydrophobicContact CE2-SD 4.35Å; M207-G209 PolarHBondContact O-N 3.01Å; M207-G209 VanDerWaalsContact O-N 3.08Å; M207-V210 VanDerWaalsContact O-CB 3.31Å; M207-V210 WeakPolarHBondContact O-CB 3.44Å; M207-V210 WeakPolarHBondContact O-CG1 3.42Å; M207-V210 PolarHBondContact O-N 3.28Å; M207-V210 HydrophobicContact SD-CB 4.39Å |
| 208 | F | 88.4 | Confident | 86.8 | Confident | 162 Ų | 162 | 81.8 Ų | 81.8 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -58.8 | -24.1 | 175.2 | -170.1 | -104.2 | 0 | 0 | 0 | 113.6 | R206 | R206-F208 VanDerWaalsContact C-N 3.27Å; R206-F208 PolarHBondContact O-N 3.1Å |
| 209 | G | 87.5 | Confident | 86.4 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -87.7 | 1.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R206 M207 A211 K212 H213 | R206-G209 WeakPolarHBondContact O-CA 3.42Å; R206-G209 PolarHBondContact O-N 3.38Å; M207-G209 PolarHBondContact O-N 3.01Å; M207-G209 VanDerWaalsContact O-N 3.08Å; G209-A211 PolarHBondContact O-N 3.27Å; G209-K212 WeakPolarHBondContact O-CB 3.4Å; G209-K212 PolarHBondContact O-N 3.35Å; G209-H213 PolarHBondContact O-ND1 3.45Å |
| 210 | V | 88.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.006 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55 | -38.1 | -176 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | V169 F172 F200 F205 M207 K212 H213 L214 | V169-V210 HydrophobicContact CG1-CG1 4.19Å; V169-V210 HydrophobicContact CG2-CG1 4.39Å; F172-V210 HydrophobicContact CB-CG2 4.2Å; F172-V210 HydrophobicContact CD1-CG2 4.19Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F200-V210 HydrophobicContact CE2-CG2 4.33Å; F200-V210 HydrophobicContact CZ-CG2 4.05Å; F205-V210 HydrophobicContact CE2-CB 3.82Å; F205-V210 HydrophobicContact CE2-CG2 3.82Å; F205-V210 HydrophobicContact CZ-CB 4.47Å; F205-V210 HydrophobicContact CZ-CG2 3.98Å; M207-V210 VanDerWaalsContact O-CB 3.31Å; M207-V210 WeakPolarHBondContact O-CB 3.44Å; M207-V210 WeakPolarHBondContact O-CG1 3.42Å; M207-V210 PolarHBondContact O-N 3.28Å; M207-V210 HydrophobicContact SD-CB 4.39Å; V210-K212 PolarHBondContact O-N 3.49Å; V210-K212 VanDerWaalsContact O-N 3.08Å; V210-H213 PolarHBondContact O-N 3.01Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 HydrophobicContact CG2-CD1 4.23Å; V210-L214 HydrophobicContact CG2-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 3.07Å |
| 211 | A | 87.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 87.2 Ų | 87.2 | 23% | 0.231 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -55.3 | -32.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R165 V169 G209 K215 | R165-A211 PolarHBondContact NH2-O 3.36Å; V169-A211 HydrophobicContact CG2-CB 3.9Å; G209-A211 PolarHBondContact O-N 3.27Å; A211-K215 PolarHBondContact O-N 2.99Å |
| 212 | K | 86.6 | Confident | 85.4 | Confident | 167 Ų | 167 | 84.7 Ų | 84.7 | 73% | 0.726 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 178.2 | -172.9 | 179.5 | 178 | -178.3 | 0 | 111.4 | G209 V210 K215 | G209-K212 WeakPolarHBondContact O-CB 3.4Å; G209-K212 PolarHBondContact O-N 3.35Å; V210-K212 PolarHBondContact O-N 3.49Å; V210-K212 VanDerWaalsContact O-N 3.08Å; K212-K215 WeakPolarHBondContact O-CB 3.08Å; K212-K215 PolarHBondContact O-N 3.49Å |
| 213 | H | 86 | Confident | 85.4 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -74.5 | -40 | -179.7 | -52.5 | 94.6 | 0 | 0 | 0 | 110.8 | F200 L202 G209 V210 K215 R216 | F200-H213 HydrophobicContact CB-CB 4.47Å; F200-H213 HydrophobicContact CD1-CB 3.33Å; F200-H213 HydrophobicContact CE1-CB 3.6Å; F200-H213 HydrophobicContact CG-CB 3.99Å; F200-H213 HydrophobicContact CZ-CB 4.46Å; L202-H213 WeakPolarHBondContact CD1-CD2 3.32Å; L202-H213 WeakPolarHBondContact CD1-NE2 3.41Å; G209-H213 PolarHBondContact O-ND1 3.45Å; V210-H213 PolarHBondContact O-N 3.01Å; H213-K215 PolarHBondContact O-N 2.83Å; H213-R216 PolarHBondContact O-N 3.15Å; H213-R216 VanDerWaalsContact O-N 3.08Å |
| 214 | L | 86.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.6 | -31.4 | 173.8 | -65.7 | 172.4 | 0 | 0 | 0 | 113 | M154 L168 V169 F172 F200 V210 R216 H217 I218 | M154-L214 HydrophobicContact CE-CD2 3.73Å; M154-L214 HydrophobicContact SD-CD2 4.25Å; L168-L214 HydrophobicContact CB-CD1 3.99Å; V169-L214 HydrophobicContact CG2-CD1 3.76Å; F172-L214 HydrophobicContact CD2-CD1 4.39Å; F172-L214 HydrophobicContact CD2-CD2 3.82Å; F172-L214 HydrophobicContact CE2-CD2 3.5Å; F172-L214 HydrophobicContact CZ-CD2 4Å; F200-L214 HydrophobicContact CE1-CD2 3.91Å; F200-L214 HydrophobicContact CE1-CG 4.35Å; F200-L214 HydrophobicContact CZ-CD2 3.82Å; F200-L214 HydrophobicContact CZ-CG 4.37Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 HydrophobicContact CG2-CD1 4.23Å; V210-L214 HydrophobicContact CG2-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 3.07Å; L214-R216 PolarHBondContact O-N 3.26Å; L214-R216 VanDerWaalsContact O-N 3.08Å; L214-H217 PolarHBondContact O-N 3.3Å; L214-I218 HydrophobicContact CB-CD1 4.34Å; L214-I218 WeakPolarHBondContact O-CD1 3.48Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.18Å |
| 215 | K | 83.4 | Confident | 85 | Confident | 150 Ų | 150 | 75.8 Ų | 75.8 | 65% | 0.652 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.8 | 177.7 | -165.1 | 178.3 | 175.9 | -176.2 | 0 | 112.9 | A211 K212 H213 H217 | A211-K215 PolarHBondContact O-N 2.99Å; K212-K215 WeakPolarHBondContact O-CB 3.08Å; K212-K215 PolarHBondContact O-N 3.49Å; H213-K215 PolarHBondContact O-N 2.83Å; K215-H217 VanDerWaalsContact C-N 3.35Å |
| 216 | R | 83.3 | Confident | 84.6 | Confident | 225 Ų | 225 | 80.2 Ų | 80.2 | 85% | 0.849 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.7 | 179.5 | -64.1 | -171.3 | 174.4 | -161.6 | -2.4 | 113.6 | H213 L214 | H213-R216 PolarHBondContact O-N 3.15Å; H213-R216 VanDerWaalsContact O-N 3.08Å; L214-R216 PolarHBondContact O-N 3.26Å; L214-R216 VanDerWaalsContact O-N 3.08Å |
| 217 | H | 82.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 11% | 0.111 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 2.4 | -177.4 | -64 | -84.4 | 0 | 0 | 0 | 112.9 | S151 E153 M154 L199 L214 K215 | S151-H217 PolarHBondContact N-O 3.13Å; S151-H217 WeakPolarHBondContact OG-CB 3.46Å; S151-H217 PolarHBondContact OG-ND1 3.39Å; S151-H217 PolarHBondContact OG-O 3.39Å; E153-H217 IonicContact OE2-CE1 3.88Å; M154-H217 HydrophobicContact CB-CB 4.18Å; M154-H217 HydrophobicContact CE-CB 3.63Å; M154-H217 HydrophobicContact CG-CB 4.43Å; L199-H217 PolarHBondContact O-CE1 2.96Å; L199-H217 PolarHBondContact O-NE2 3.04Å; L214-H217 PolarHBondContact O-N 3.3Å; K215-H217 VanDerWaalsContact C-N 3.35Å |
| 218 | I | 84.6 | Confident | 83.7 | Confident | 24 Ų | 24 | 82.4 Ų | 82.4 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.3 | 174.9 | -67.6 | 165.6 | 0 | 0 | 0 | 106.8 | L148 L150 R165 L168 L214 | L148-I218 HydrophobicContact CB-CG2 3.49Å; L148-I218 VanDerWaalsContact CB-CG2 3.49Å; L148-I218 HydrophobicContact CD1-CG2 3.88Å; L148-I218 HydrophobicContact CD2-CG2 3.76Å; L148-I218 HydrophobicContact CG-CG2 3.89Å; L150-I218 HydrophobicContact CD2-CG1 4.3Å; R165-I218 HydrophobicContact CB-CD1 4.42Å; R165-I218 HydrophobicContact CG-CD1 4.18Å; L168-I218 HydrophobicContact CD1-CD1 3.62Å; L168-I218 HydrophobicContact CD1-CG1 3.67Å; L214-I218 HydrophobicContact CB-CD1 4.34Å; L214-I218 WeakPolarHBondContact O-CD1 3.48Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.18Å |
| 219 | I | 79.1 | Confident | 83.3 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.4 | 173.9 | -57.2 | 166.6 | 0 | 0 | 0 | 105.1 | T149 | T149-I219 PolarHBondContact N-O 3.16Å; T149-I219 CarbonylContact O-C 3.57Å; T149-I219 PolarHBondContact O-N 3.16Å; T149-I219 PolarHBondContact OG1-O 3.33Å |
| 220 | G | 65 | Low | 82.9 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 100% | 1.258 | 43% | 0.425 | S | S | * | . | trans | 170.1 | 0 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 |
Retrieved 220 of 220 residues in 442.6 ms
(Link to these results)