| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.2 | Very low | 70.7 | Confident | 228 Ų | 228 | 160.5 Ų | 160.5 | 100% | 1.123 | 83% | 0.825 | S | S | * | * | 0 | 124.4 | 0 | -67.5 | -162.3 | 165.2 | 0 | 0 | 109.2 | V3 | M1-V3 PolarHBondContact O-N 3.3Š| |||
| 2 | P | 56.2 | Low | 72.4 | Confident | 135 Ų | 135 | 152.7 Ų | 152.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 117 | 176.2 | 27.6 | -28.9 | 0 | 0 | 0 | 109.7 | A4 | P2-A4 PolarHBondContact O-N 2.82Š| ||
| 3 | V | 53.8 | Low | 74 | Confident | 137 Ų | 137 | 146.5 Ų | 146.5 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -64.3 | 121.3 | 176.8 | -157.4 | 0 | 0 | 0 | 0 | 108.3 | M1 R5 | M1-V3 PolarHBondContact O-N 3.3Å; V3-R5 PolarHBondContact O-N 3.01Å | ||
| 4 | A | 58.4 | Low | 75.4 | Confident | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -59.2 | 105 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P2 S6 | P2-A4 PolarHBondContact O-N 2.82Å; A4-S6 VanDerWaalsContact C-N 3.35Å; A4-S6 PolarHBondContact O-N 3.15Å | ||
| 5 | R | 60.8 | Low | 76.5 | Confident | 220 Ų | 220 | 138.4 Ų | 138.4 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -62.4 | 98.9 | 166 | -84 | 178.7 | 151.6 | -161.2 | -3.8 | 107.4 | V3 W7 | V3-R5 PolarHBondContact O-N 3.01Å; R5-W7 VanDerWaalsContact O-CD1 3.23Å; R5-W7 PolarHBondContact O-N 3.23Å; R5-W7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | S | 68 | Low | 77.6 | Confident | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -64.5 | 116.1 | 171.1 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | A4 V8 | A4-S6 VanDerWaalsContact C-N 3.35Å; A4-S6 PolarHBondContact O-N 3.15Å; S6-V8 PolarHBondContact O-N 3.2Å; S6-V8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | W | 75.3 | Confident | 78.4 | Confident | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -74.2 | 106 | 178.4 | -66.3 | 79.8 | 0 | 0 | 0 | 108.7 | R5 C9 | R5-W7 VanDerWaalsContact O-CD1 3.23Å; R5-W7 PolarHBondContact O-N 3.23Å; R5-W7 VanDerWaalsContact O-N 3.16Å; W7-C9 PolarHBondContact O-N 3.44Å; W7-C9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | V | 84.7 | Confident | 79.1 | Confident | 119 Ų | 119 | 141.7 Ų | 141.7 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -75.2 | 99.3 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | S6 | S6-V8 PolarHBondContact O-N 3.2Å; S6-V8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | C | 88.5 | Confident | 79.7 | Confident | 117 Ų | 117 | 138.6 Ų | 138.6 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -97.1 | 136.9 | 175.5 | -72 | 0 | 0 | 0 | 0 | 111.5 | W7 | W7-C9 PolarHBondContact O-N 3.44Å; W7-C9 VanDerWaalsContact O-N 3.08Å | ||
| 10 | R | 91.2 | Very high | 80.4 | Confident | 218 Ų | 218 | 141.3 Ų | 141.3 | 82% | 0.823 | 70% | 0.704 | S | S | * | * | trans | -127.4 | 142.5 | 177.3 | -67.6 | -176.2 | 178.5 | -161.6 | -1.7 | 112.1 | ||||
| 11 | K | 92.3 | Very high | 81 | Confident | 171 Ų | 171 | 138.1 Ų | 138.1 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -70.1 | 142.3 | 175.2 | -67.6 | -177.3 | -179.6 | 176.3 | 0 | 111.1 | F49 | K11-F49 WeakPolarHBondContact O-CE1 3.4Š| ||
| 12 | T | 91.5 | Very high | 83.2 | Confident | 66 Ų | 66 | 135.1 Ų | 135.1 | 41% | 0.405 | 67% | 0.668 | S | S | . | * | trans | -108.6 | 1.6 | -178.1 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | R46 F49 | T12-R46 WeakPolarHBondContact O-CG 3.2Å; T12-F49 VanDerWaalsContact C-CD1 3.44Å; T12-F49 WeakPolarHBondContact O-CD1 3.2Å | ||
| 13 | Y | 93.6 | Very high | 84.9 | Confident | 73 Ų | 73 | 131.7 Ų | 131.7 | 29% | 0.286 | 65% | 0.648 | S | S | . | * | trans | -148.4 | 158.9 | 179.6 | 68.7 | -77.6 | 0 | 0 | 0 | 110 | T15 R42 W45 | Y13-T15 HydrophobicContact CE2-CG2 4.27Å; Y13-R42 HydrophobicContact CD1-CG 4.32Å; Y13-R42 HydrophobicContact CD2-CG 4.29Å; Y13-R42 VanDerWaalsContact CE1-NH2 3.29Å; Y13-R42 HydrophobicContact CG-CG 4.16Å; Y13-W45 HydrophobicContact CD2-CE3 4.26Å | ||
| 14 | V | 93.3 | Very high | 86.8 | Confident | 86 Ų | 86 | 126.5 Ų | 126.5 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | trans | -129.9 | 140.3 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 107.8 | F49 | V14-F49 HydrophobicContact CB-CD2 4.02Å; V14-F49 HydrophobicContact CB-CE2 4.41Å; V14-F49 HydrophobicContact CG2-CD2 3.38Å; V14-F49 HydrophobicContact CG2-CE2 3.31Å; V14-F49 HydrophobicContact CG2-CG 4.25Å; V14-F49 HydrophobicContact CG2-CZ 4.1Å | ||
| 15 | T | 92.3 | Very high | 88.3 | Confident | 85 Ų | 85 | 124.4 Ų | 124.4 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | trans | -81.3 | 150 | 178.2 | 46.6 | 0 | 0 | 0 | 0 | 111 | Y13 W45 | Y13-T15 HydrophobicContact CE2-CG2 4.27Å; T15-W45 HydrophobicContact CG2-CE3 4.14Å; T15-W45 HydrophobicContact CG2-CH2 4.47Å; T15-W45 HydrophobicContact CG2-CZ3 3.83Å | ||
| 16 | P | 92.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 118 Ų | 118 | 24% | 0.24 | 57% | 0.571 | C | S | . | * | trans | -61.3 | 147.4 | 174.9 | 26.7 | -34.4 | 0 | 0 | 0 | 110.9 | W45 | P16-W45 HydrophobicContact CG-CZ2 4.07Š| ||
| 17 | R | 91.1 | Very high | 90.8 | Very high | 253 Ų | 253 | 119 Ų | 119 | 96% | 0.955 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -66 | -43.6 | 177.6 | -73.3 | -175.5 | 169.9 | -171.2 | -3.7 | 112.2 | P19 | R17-P19 WeakPolarHBondContact O-CD 3.47Š|
| 18 | R | 92.1 | Very high | 91.5 | Very high | 184 Ų | 184 | 108.3 Ų | 108.3 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -101.6 | 112.1 | 178.9 | -70.4 | -175.6 | 175.7 | 173.3 | -2.4 | 110.4 | R24 | R18-R24 PolarHBondContact O-NH2 2.91Š|
| 19 | P | 91.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 107.4 Ų | 107.4 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -66.4 | -39 | -176 | -25.3 | 35.9 | 0 | 0 | 0 | 114.7 | R17 R24 | R17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-R24 PolarHBondContact O-NH2 2.8Å |
| 20 | F | 92 | Very high | 91.7 | Very high | 191 Ų | 191 | 108.2 Ų | 108.2 | 84% | 0.838 | 50% | 0.504 | S | S | * | . | trans | -116.9 | 86.7 | -173.4 | -54.1 | -66.6 | 0 | 0 | 0 | 110.9 | ||||
| 21 | E | 94.1 | Very high | 91.4 | Very high | 75 Ų | 75 | 98.4 Ų | 98.4 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | trans | -130 | 112.3 | 177.1 | -179.4 | 174.2 | -158.7 | 0 | 0 | 107.7 | S23 R24 L25 | E21-S23 PolarHBondContact O-N 2.98Å; E21-R24 HydrophobicContact CB-CB 4.19Å; E21-R24 HydrophobicContact CG-CB 4.19Å; E21-R24 PolarHBondContact O-N 3.35Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.23Å | ||
| 22 | K | 93.9 | Very high | 90.8 | Very high | 166 Ų | 166 | 91.2 Ų | 91.2 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56.4 | -51.2 | -170.3 | -176.2 | 177.4 | 177.6 | -176.4 | 0 | 111.9 | R24 L25 D26 | K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 3.12Å; K22-L25 PolarHBondContact O-N 3.31Å; K22-L25 VanDerWaalsContact O-N 3.08Å; K22-D26 WeakPolarHBondContact CG-OD2 3.33Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 2.87Å |
| 23 | S | 92.8 | Very high | 89.5 | Confident | 63 Ų | 63 | 90.9 Ų | 90.9 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -54.7 | -44.7 | 178.9 | 56 | 0 | 0 | 0 | 0 | 113 | E21 Q27 | E21-S23 PolarHBondContact O-N 2.98Å; S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.12Å; S23-Q27 PolarHBondContact O-N 2.94Å |
| 24 | R | 92.6 | Very high | 88.4 | Confident | 28 Ų | 28 | 89.9 Ų | 89.9 | 11% | 0.106 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68 | -41.6 | 177.5 | -175.2 | -176.5 | 60 | 69.5 | 3.6 | 111.8 | R18 P19 E21 K22 D26 E28 | R18-R24 PolarHBondContact O-NH2 2.91Å; P19-R24 PolarHBondContact O-NH2 2.8Å; E21-R24 HydrophobicContact CB-CB 4.19Å; E21-R24 HydrophobicContact CG-CB 4.19Å; E21-R24 PolarHBondContact O-N 3.35Å; K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 3.12Å; R24-D26 VanDerWaalsContact C-N 3.34Å; R24-E28 HydrophobicContact CG-CG 4.44Å; R24-E28 IonicContact NH1-OE1 3.07Å; R24-E28 PolarHBondContact NH1-OE1 2.93Å; R24-E28 IonicContact NH1-OE2 2.95Å; R24-E28 PolarHBondContact NH1-OE2 3.33Å; R24-E28 WeakPolarHBondContact O-CB 3.07Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.21Å |
| 25 | L | 90.7 | Very high | 87.8 | Confident | 48 Ų | 48 | 89.8 Ų | 89.8 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 179.4 | -70.3 | 171.3 | 0 | 0 | 0 | 111 | E21 K22 E28 L29 | E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.23Å; K22-L25 PolarHBondContact O-N 3.31Å; K22-L25 VanDerWaalsContact O-N 3.08Å; L25-E28 PolarHBondContact O-N 3.48Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 PolarHBondContact O-N 3.08Å |
| 26 | D | 91.8 | Very high | 87.6 | Confident | 85 Ų | 85 | 86.5 Ų | 86.5 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 178.4 | -64 | -20.3 | 0 | 0 | 0 | 111.2 | K22 R24 E28 L29 K30 | K22-D26 WeakPolarHBondContact CG-OD2 3.33Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 2.87Å; R24-D26 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 3.21Å; D26-L29 PolarHBondContact O-N 3.49Å; D26-K30 PolarHBondContact O-N 2.92Å |
| 27 | Q | 89.6 | Confident | 87.3 | Confident | 124 Ų | 124 | 84.8 Ų | 84.8 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 173.8 | -74.3 | 173.5 | 2.6 | 0 | 0 | 112.4 | S23 L29 K30 L31 | S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.12Å; S23-Q27 PolarHBondContact O-N 2.94Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.98Å; Q27-K30 PolarHBondContact O-N 3.19Å; Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 2.76Å |
| 28 | E | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177 | -75.5 | 178.1 | -177.2 | 0 | 0 | 111.4 | R24 L25 D26 L31 I32 V44 W45 K48 | R24-E28 HydrophobicContact CG-CG 4.44Å; R24-E28 IonicContact NH1-OE1 3.07Å; R24-E28 PolarHBondContact NH1-OE1 2.93Å; R24-E28 IonicContact NH1-OE2 2.95Å; R24-E28 PolarHBondContact NH1-OE2 3.33Å; R24-E28 WeakPolarHBondContact O-CB 3.07Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.21Å; L25-E28 PolarHBondContact O-N 3.48Å; D26-E28 PolarHBondContact O-N 3.21Å; E28-L31 PolarHBondContact O-N 3.12Å; E28-I32 HydrophobicContact CB-CD1 4.33Å; E28-I32 WeakPolarHBondContact O-CB 3.32Å; E28-I32 VanDerWaalsContact O-CD1 3.23Å; E28-I32 WeakPolarHBondContact O-CD1 3.41Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.32Å; E28-V44 HydrophobicContact CG-CG1 4.4Å; E28-W45 PolarHBondContact OE1-NE1 3.42Å; E28-W45 VanDerWaalsContact OE1-NE1 3.15Å; E28-K48 IonicContact OE1-NZ 3.38Å; E28-K48 PolarHBondContact OE1-NZ 3.14Å; E28-K48 VanDerWaalsContact OE1-NZ 3.13Å |
| 29 | L | 88.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.1 | -173 | 64.4 | 0 | 0 | 0 | 111.4 | L25 D26 Q27 L31 I32 A33 | L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 PolarHBondContact O-N 3.08Å; D26-L29 PolarHBondContact O-N 3.49Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.98Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.4Å; L29-I32 PolarHBondContact O-N 3.07Å; L29-A33 HydrophobicContact CD1-CB 4.02Å; L29-A33 HydrophobicContact CG-CB 4.45Å; L29-A33 WeakPolarHBondContact O-CB 3.21Å; L29-A33 PolarHBondContact O-N 3.34Å |
| 30 | K | 89.3 | Confident | 87.1 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | I | π-helix | trans | -56.7 | -46 | 175.5 | -175.1 | 176.3 | 176.6 | -179.6 | 0 | 112.1 | D26 Q27 G34 E35 | D26-K30 PolarHBondContact O-N 2.92Å; Q27-K30 PolarHBondContact O-N 3.19Å; K30-G34 WeakPolarHBondContact O-CA 3.24Å; K30-G34 PolarHBondContact O-N 3.47Å; K30-G34 VanDerWaalsContact O-N 3.08Å; K30-E35 WeakPolarHBondContact CE-OE1 3.27Å; K30-E35 IonicContact NZ-OE1 3.13Å; K30-E35 PolarHBondContact O-N 3.07Å |
| 31 | L | 84.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -67.5 | -36.9 | 177.6 | -68.2 | 172.9 | 0 | 0 | 0 | 112.9 | Q27 E28 L29 Y36 V44 V103 E104 L107 | Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 2.76Å; E28-L31 PolarHBondContact O-N 3.12Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.4Å; L31-Y36 HydrophobicContact CD2-CD2 4.09Å; L31-Y36 HydrophobicContact CD2-CE2 3.9Å; L31-Y36 PolarHBondContact O-N 3.11Å; L31-V44 HydrophobicContact CD1-CG1 4.43Å; L31-V103 HydrophobicContact CD1-CG1 4.49Å; L31-E104 HydrophobicContact CD2-CG 4.06Å; L31-L107 HydrophobicContact CD2-CD1 4.23Å |
| 32 | I | 79.8 | Confident | 87 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -79 | -56.6 | -175 | -69.5 | 163.4 | 0 | 0 | 0 | 111.6 | E28 L29 G37 L38 K41 V44 | E28-I32 HydrophobicContact CB-CD1 4.33Å; E28-I32 WeakPolarHBondContact O-CB 3.32Å; E28-I32 VanDerWaalsContact O-CD1 3.23Å; E28-I32 WeakPolarHBondContact O-CD1 3.41Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.32Å; L29-I32 PolarHBondContact O-N 3.07Å; I32-G37 WeakPolarHBondContact O-CA 3.09Å; I32-G37 PolarHBondContact O-N 3.34Å; I32-L38 HydrophobicContact CB-CB 4.33Å; I32-L38 HydrophobicContact CG1-CB 4.15Å; I32-L38 HydrophobicContact CG1-CD1 4.11Å; I32-L38 HydrophobicContact CG2-CB 4.21Å; I32-L38 WeakPolarHBondContact CG2-O 3.45Å; I32-L38 PolarHBondContact O-N 3.43Å; I32-K41 HydrophobicContact CD1-CB 4.12Å; I32-K41 HydrophobicContact CD1-CG 3.38Å; I32-V44 HydrophobicContact CD1-CG2 3.96Å; I32-V44 HydrophobicContact CG1-CG2 3.6Å |
| 33 | A | 64.6 | Low | 86.9 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 49% | 0.488 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -88.1 | -31.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 | L29-A33 HydrophobicContact CD1-CB 4.02Å; L29-A33 HydrophobicContact CG-CB 4.45Å; L29-A33 WeakPolarHBondContact O-CB 3.21Å; L29-A33 PolarHBondContact O-N 3.34Å |
| 34 | G | 71.1 | Confident | 86.8 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -86.7 | -75.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K30 | K30-G34 WeakPolarHBondContact O-CA 3.24Å; K30-G34 PolarHBondContact O-N 3.47Å; K30-G34 VanDerWaalsContact O-N 3.08Å |
| 35 | E | 80.5 | Confident | 86.9 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -93.5 | -25 | -154.9 | -69 | 173 | -170 | 0 | 0 | 115.6 | K30 I124 | K30-E35 WeakPolarHBondContact CE-OE1 3.27Å; K30-E35 IonicContact NZ-OE1 3.13Å; K30-E35 PolarHBondContact O-N 3.07Å; E35-I124 WeakPolarHBondContact O-CD1 3.12Å |
| 36 | Y | 87.6 | Confident | 87 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -126.5 | -0.7 | -170.1 | -62.6 | -86.8 | 0 | 0 | 0 | 114.6 | L31 L38 L107 E108 Q112 T113 I124 | L31-Y36 HydrophobicContact CD2-CD2 4.09Å; L31-Y36 HydrophobicContact CD2-CE2 3.9Å; L31-Y36 PolarHBondContact O-N 3.11Å; Y36-L38 PolarHBondContact O-N 3.06Å; Y36-L107 HydrophobicContact CD1-CB 3.43Å; Y36-L107 VanDerWaalsContact CD1-CB 3.43Å; Y36-L107 HydrophobicContact CD1-CD1 4.42Å; Y36-L107 HydrophobicContact CD1-CG 4.48Å; Y36-L107 HydrophobicContact CD2-CB 4.28Å; Y36-L107 HydrophobicContact CD2-CD1 3.82Å; Y36-L107 HydrophobicContact CE1-CB 3.51Å; Y36-L107 HydrophobicContact CE2-CB 4.33Å; Y36-L107 HydrophobicContact CE2-CD1 4.15Å; Y36-L107 HydrophobicContact CG-CB 3.87Å; Y36-L107 HydrophobicContact CG-CD1 4Å; Y36-L107 HydrophobicContact CG-CG 4.49Å; Y36-E108 HydrophobicContact CE1-CG 4.2Å; Y36-Q112 PolarHBondContact O-NE2 2.76Å; Y36-T113 HydrophobicContact CD1-CG2 3.41Å; Y36-T113 VanDerWaalsContact CD1-CG2 3.41Å; Y36-T113 HydrophobicContact CE1-CG2 4.02Å; Y36-T113 HydrophobicContact CG-CG2 4.39Å; Y36-I124 VanDerWaalsContact C-CG2 3.47Å; Y36-I124 WeakPolarHBondContact O-CG2 3.47Å |
| 37 | G | 87.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | 52.8 | 49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I32 Q112 R128 | I32-G37 WeakPolarHBondContact O-CA 3.09Å; I32-G37 PolarHBondContact O-N 3.34Å; G37-Q112 PolarHBondContact O-NE2 3.45Å; G37-R128 PolarHBondContact O-NH1 3.34Å | ||
| 38 | L | 90.8 | Very high | 87.3 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | trans | -79.2 | 149.6 | 179.3 | -54.1 | 178.4 | 0 | 0 | 0 | 110.1 | I32 Y36 E43 V44 L107 | I32-L38 HydrophobicContact CB-CB 4.33Å; I32-L38 HydrophobicContact CG1-CB 4.15Å; I32-L38 HydrophobicContact CG1-CD1 4.11Å; I32-L38 HydrophobicContact CG2-CB 4.21Å; I32-L38 WeakPolarHBondContact CG2-O 3.45Å; I32-L38 PolarHBondContact O-N 3.43Å; Y36-L38 PolarHBondContact O-N 3.06Å; L38-E43 HydrophobicContact CB-CB 4.44Å; L38-E43 HydrophobicContact CD1-CB 4.44Å; L38-E43 HydrophobicContact CD2-CB 4.34Å; L38-V44 HydrophobicContact CD1-CG2 3.43Å; L38-V44 VanDerWaalsContact CD1-CG2 3.43Å; L38-L107 HydrophobicContact CD1-CD1 4.43Å; L38-L107 HydrophobicContact CD1-CD2 4.27Å; L38-L107 HydrophobicContact CD2-CD2 4.27Å | ||
| 39 | R | 89 | Confident | 87.6 | Confident | 190 Ų | 190 | 60.2 Ų | 60.2 | 72% | 0.717 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -84 | -37.2 | 179.6 | -164 | -175.3 | 74.7 | 174.7 | 6.5 | 112.6 | E43 | R39-E43 PolarHBondContact N-OE1 3.15Š|
| 40 | N | 90.7 | Very high | 87.8 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | trans | -141.3 | 151.3 | -171.9 | -60.8 | 57.4 | 0 | 0 | 0 | 110.8 | R42 E43 | N40-R42 HydrophobicContact CB-CB 4.27Å; N40-R42 PolarHBondContact O-N 3.28Å; N40-R42 VanDerWaalsContact O-N 3.09Å; N40-E43 WeakPolarHBondContact O-CB 3.36Å; N40-E43 PolarHBondContact O-N 3.04Å | ||
| 41 | K | 90.8 | Very high | 88 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.2 | -28.9 | 168.1 | -71.7 | 177.5 | 176.9 | 174.4 | 0 | 113.3 | I32 E43 V44 W45 | I32-K41 HydrophobicContact CD1-CB 4.12Å; I32-K41 HydrophobicContact CD1-CG 3.38Å; K41-E43 PolarHBondContact O-N 3.31Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.22Å; K41-W45 HydrophobicContact CB-CD2 4.47Å; K41-W45 HydrophobicContact CB-CH2 4.3Å; K41-W45 HydrophobicContact CB-CZ2 3.82Å; K41-W45 HydrophobicContact CD-CZ2 4.36Å; K41-W45 VanDerWaalsContact O-CG 3.3Å; K41-W45 PolarHBondContact O-N 2.99Å |
| 42 | R | 91.8 | Very high | 88.5 | Confident | 123 Ų | 123 | 54.4 Ų | 54.4 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -33.3 | 174.3 | -169.5 | 177.1 | 177.4 | -142.9 | -0.3 | 113.1 | Y13 N40 W45 R46 | Y13-R42 HydrophobicContact CD1-CG 4.32Å; Y13-R42 HydrophobicContact CD2-CG 4.29Å; Y13-R42 VanDerWaalsContact CE1-NH2 3.29Å; Y13-R42 HydrophobicContact CG-CG 4.16Å; N40-R42 HydrophobicContact CB-CB 4.27Å; N40-R42 PolarHBondContact O-N 3.28Å; N40-R42 VanDerWaalsContact O-N 3.09Å; R42-W45 PolarHBondContact O-N 2.83Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.33Å; R42-R46 PolarHBondContact O-N 2.95Å |
| 43 | E | 91.6 | Very high | 89.2 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.8 | -67.7 | -169.1 | -140 | 0 | 0 | 110.9 | L38 R39 N40 K41 R46 V47 R110 R128 | L38-E43 HydrophobicContact CB-CB 4.44Å; L38-E43 HydrophobicContact CD1-CB 4.44Å; L38-E43 HydrophobicContact CD2-CB 4.34Å; R39-E43 PolarHBondContact N-OE1 3.15Å; N40-E43 WeakPolarHBondContact O-CB 3.36Å; N40-E43 PolarHBondContact O-N 3.04Å; K41-E43 PolarHBondContact O-N 3.31Å; E43-R46 PolarHBondContact O-N 3.27Å; E43-V47 PolarHBondContact O-N 3.02Å; E43-R110 IonicContact OE2-CZ 2.75Å; E43-R110 IonicContact OE2-NH2 3.59Å; E43-R110 PolarHBondContact OE2-NH2 2.87Å; E43-R128 IonicContact OE1-CZ 3.51Å; E43-R128 IonicContact OE1-NH1 2.76Å; E43-R128 PolarHBondContact OE1-NH1 3.14Å; E43-R128 IonicContact OE1-NH2 3.53Å; E43-R128 PolarHBondContact OE1-NH2 3.18Å; E43-R128 IonicContact OE2-NH1 3.99Å; E43-R128 IonicContact OE2-NH2 3.85Å |
| 44 | V | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | E28 L31 I32 L38 K41 R46 V47 K48 | E28-V44 HydrophobicContact CG-CG1 4.4Å; L31-V44 HydrophobicContact CD1-CG1 4.43Å; I32-V44 HydrophobicContact CD1-CG2 3.96Å; I32-V44 HydrophobicContact CG1-CG2 3.6Å; L38-V44 HydrophobicContact CD1-CG2 3.43Å; L38-V44 VanDerWaalsContact CD1-CG2 3.43Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.22Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.32Å; V44-V47 PolarHBondContact O-N 3.08Å; V44-V47 VanDerWaalsContact O-N 3.14Å; V44-K48 HydrophobicContact CG1-CD 4.06Å; V44-K48 HydrophobicContact CG1-CG 4.26Å; V44-K48 WeakPolarHBondContact O-CG 3.46Å; V44-K48 PolarHBondContact O-N 3.09Å |
| 45 | W | 94.2 | Very high | 91.7 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -31.2 | -178.4 | -59.2 | -18.5 | 0 | 0 | 0 | 113.4 | Y13 T15 P16 E28 K41 R42 F49 | Y13-W45 HydrophobicContact CD2-CE3 4.26Å; T15-W45 HydrophobicContact CG2-CE3 4.14Å; T15-W45 HydrophobicContact CG2-CH2 4.47Å; T15-W45 HydrophobicContact CG2-CZ3 3.83Å; P16-W45 HydrophobicContact CG-CZ2 4.07Å; E28-W45 PolarHBondContact OE1-NE1 3.42Å; E28-W45 VanDerWaalsContact OE1-NE1 3.15Å; K41-W45 HydrophobicContact CB-CD2 4.47Å; K41-W45 HydrophobicContact CB-CH2 4.3Å; K41-W45 HydrophobicContact CB-CZ2 3.82Å; K41-W45 HydrophobicContact CD-CZ2 4.36Å; K41-W45 VanDerWaalsContact O-CG 3.3Å; K41-W45 PolarHBondContact O-N 2.99Å; R42-W45 PolarHBondContact O-N 2.83Å; W45-F49 VanDerWaalsContact O-CB 3.23Å; W45-F49 WeakPolarHBondContact O-CB 3.21Å; W45-F49 PolarHBondContact O-N 3.27Å |
| 46 | R | 93.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 60.9 Ų | 60.9 | 39% | 0.389 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63 | -46 | 172.1 | -76.1 | 178 | 67.2 | -163.7 | -2 | 111.3 | T12 R42 E43 V44 F49 T50 | T12-R46 WeakPolarHBondContact O-CG 3.2Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.33Å; R42-R46 PolarHBondContact O-N 2.95Å; E43-R46 PolarHBondContact O-N 3.27Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.32Å; R46-F49 PolarHBondContact O-N 3.09Å; R46-T50 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-OG1 3.35Å |
| 47 | V | 92.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | E43 V44 F49 T50 L51 V103 F106 L107 | E43-V47 PolarHBondContact O-N 3.02Å; V44-V47 PolarHBondContact O-N 3.08Å; V44-V47 VanDerWaalsContact O-N 3.14Å; V47-F49 VanDerWaalsContact C-N 3.27Å; V47-F49 PolarHBondContact O-N 3.2Å; V47-T50 WeakPolarHBondContact CA-OG1 3.5Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 2.92Å; V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.36Å; V47-V103 HydrophobicContact CB-CG1 4.31Å; V47-V103 HydrophobicContact CG1-CG1 3.86Å; V47-F106 HydrophobicContact CG1-CB 3.5Å; V47-F106 VanDerWaalsContact CG1-CB 3.5Å; V47-F106 HydrophobicContact CG1-CG 4.16Å; V47-L107 HydrophobicContact CG2-CD2 3.94Å |
| 48 | K | 93.7 | Very high | 93 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.1 | -43.1 | 172.9 | -73.6 | -177.7 | 176.5 | 179.7 | 0 | 111.4 | E28 V44 L51 A52 V103 | E28-K48 IonicContact OE1-NZ 3.38Å; E28-K48 PolarHBondContact OE1-NZ 3.14Å; E28-K48 VanDerWaalsContact OE1-NZ 3.13Å; V44-K48 HydrophobicContact CG1-CD 4.06Å; V44-K48 HydrophobicContact CG1-CG 4.26Å; V44-K48 WeakPolarHBondContact O-CG 3.46Å; V44-K48 PolarHBondContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.36Å; K48-A52 WeakPolarHBondContact O-CB 3.4Å; K48-A52 PolarHBondContact O-N 3.43Å; K48-V103 HydrophobicContact CG-CG2 3.94Å |
| 49 | F | 94.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 68.8 Ų | 68.8 | 20% | 0.197 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 178.9 | -177.6 | -118.1 | 0 | 0 | 0 | 113 | K11 T12 V14 W45 R46 V47 A52 K53 | K11-F49 WeakPolarHBondContact O-CE1 3.4Å; T12-F49 VanDerWaalsContact C-CD1 3.44Å; T12-F49 WeakPolarHBondContact O-CD1 3.2Å; V14-F49 HydrophobicContact CB-CD2 4.02Å; V14-F49 HydrophobicContact CB-CE2 4.41Å; V14-F49 HydrophobicContact CG2-CD2 3.38Å; V14-F49 HydrophobicContact CG2-CE2 3.31Å; V14-F49 HydrophobicContact CG2-CG 4.25Å; V14-F49 HydrophobicContact CG2-CZ 4.1Å; W45-F49 VanDerWaalsContact O-CB 3.23Å; W45-F49 WeakPolarHBondContact O-CB 3.21Å; W45-F49 PolarHBondContact O-N 3.27Å; R46-F49 PolarHBondContact O-N 3.09Å; V47-F49 VanDerWaalsContact C-N 3.27Å; V47-F49 PolarHBondContact O-N 3.2Å; F49-A52 PolarHBondContact O-N 3.35Å; F49-K53 HydrophobicContact CE1-CD 4.28Å; F49-K53 HydrophobicContact CZ-CD 4.4Å; F49-K53 PolarHBondContact O-N 2.95Å; F49-K53 VanDerWaalsContact O-N 3.17Å |
| 50 | T | 93.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | R46 V47 K53 I54 | R46-T50 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-OG1 3.35Å; V47-T50 WeakPolarHBondContact CA-OG1 3.5Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 2.92Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-I54 WeakPolarHBondContact O-CG1 3.38Å; T50-I54 PolarHBondContact O-N 3.22Å; T50-I54 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 93.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.1 | -169 | 163.3 | 0 | 0 | 0 | 110.7 | V47 K48 K53 I54 R55 K102 V103 F106 | V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.36Å; K48-L51 PolarHBondContact O-N 3.36Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.95Å; L51-I54 PolarHBondContact O-N 3.26Å; L51-I54 VanDerWaalsContact O-N 3.15Å; L51-R55 VanDerWaalsContact CD2-CD 3.42Å; L51-R55 HydrophobicContact CD2-CG 3.8Å; L51-R55 VanDerWaalsContact CD2-CZ 3.46Å; L51-R55 VanDerWaalsContact CD2-NH1 3.27Å; L51-R55 PolarHBondContact O-N 2.65Å; L51-K102 VanDerWaalsContact CD1-O 3.31Å; L51-K102 WeakPolarHBondContact CD1-O 3.46Å; L51-V103 HydrophobicContact CD1-CG2 4.21Å; L51-F106 HydrophobicContact CD1-CD2 4.23Å; L51-F106 HydrophobicContact CD1-CE2 4.25Å; L51-F106 HydrophobicContact CG-CE2 4.25Å |
| 52 | A | 94.4 | Very high | 93.7 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K48 F49 K56 | K48-A52 WeakPolarHBondContact O-CB 3.4Å; K48-A52 PolarHBondContact O-N 3.43Å; F49-A52 PolarHBondContact O-N 3.35Å; A52-K56 WeakPolarHBondContact O-CB 3.33Å; A52-K56 PolarHBondContact O-N 3.06Å |
| 53 | K | 94.4 | Very high | 93.8 | Very high | 115 Ų | 115 | 59.5 Ų | 59.5 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.7 | -73.8 | -178.1 | 175.9 | 179.3 | 0 | 112.5 | F49 T50 L51 K56 A57 | F49-K53 HydrophobicContact CE1-CD 4.28Å; F49-K53 HydrophobicContact CZ-CD 4.4Å; F49-K53 PolarHBondContact O-N 2.95Å; F49-K53 VanDerWaalsContact O-N 3.17Å; T50-K53 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.95Å; K53-K56 PolarHBondContact O-N 3.35Å; K53-A57 PolarHBondContact O-N 3.4Å |
| 54 | I | 93.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 178.5 | -69.7 | 165 | 0 | 0 | 0 | 110.2 | T50 L51 K56 A57 A58 L78 L82 I98 F106 | T50-I54 WeakPolarHBondContact O-CG1 3.38Å; T50-I54 PolarHBondContact O-N 3.22Å; T50-I54 VanDerWaalsContact O-N 3.09Å; L51-I54 PolarHBondContact O-N 3.26Å; L51-I54 VanDerWaalsContact O-N 3.15Å; I54-K56 VanDerWaalsContact C-N 3.35Å; I54-K56 PolarHBondContact O-N 3Å; I54-A57 PolarHBondContact O-N 3.31Å; I54-A58 PolarHBondContact O-N 3.46Å; I54-L78 HydrophobicContact CG2-CD1 4.26Å; I54-L82 HydrophobicContact CD1-CD2 4.27Å; I54-L82 HydrophobicContact CG2-CD1 4.22Å; I54-I98 HydrophobicContact CG2-CG2 3.49Å; I54-I98 VanDerWaalsContact CG2-CG2 3.49Å; I54-F106 HydrophobicContact CD1-CE1 3.99Å; I54-F106 HydrophobicContact CD1-CZ 3.64Å |
| 55 | R | 94.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 65.9 Ų | 65.9 | 33% | 0.328 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 175 | -78.1 | -173.8 | 168.7 | 153.5 | -8.2 | 113 | L51 A58 R59 L99 L101 | L51-R55 VanDerWaalsContact CD2-CD 3.42Å; L51-R55 HydrophobicContact CD2-CG 3.8Å; L51-R55 VanDerWaalsContact CD2-CZ 3.46Å; L51-R55 VanDerWaalsContact CD2-NH1 3.27Å; L51-R55 PolarHBondContact O-N 2.65Å; R55-A58 PolarHBondContact O-N 3.15Å; R55-R59 WeakPolarHBondContact O-CG 3.26Å; R55-R59 PolarHBondContact O-N 2.76Å; R55-L99 PolarHBondContact NE-O 3.24Å; R55-L99 PolarHBondContact NH2-O 3.29Å; R55-L101 VanDerWaalsContact CZ-O 3.24Å; R55-L101 PolarHBondContact NH2-O 3.32Å |
| 56 | K | 95.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 70.3 Ų | 70.3 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.8 | -176.1 | 179.2 | 168.4 | 178.4 | 0 | 110.6 | A52 K53 I54 A58 R59 E60 | A52-K56 WeakPolarHBondContact O-CB 3.33Å; A52-K56 PolarHBondContact O-N 3.06Å; K53-K56 PolarHBondContact O-N 3.35Å; I54-K56 VanDerWaalsContact C-N 3.35Å; I54-K56 PolarHBondContact O-N 3Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.35Å; K56-R59 PolarHBondContact O-N 3.45Å; K56-E60 WeakPolarHBondContact CE-OE1 3.48Å; K56-E60 IonicContact NZ-OE1 2.7Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.43Å |
| 57 | A | 93.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 73.9 Ų | 73.9 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K53 I54 R59 E60 L61 | K53-A57 PolarHBondContact O-N 3.4Å; I54-A57 PolarHBondContact O-N 3.31Å; A57-R59 PolarHBondContact O-N 2.92Å; A57-E60 PolarHBondContact O-N 3.17Å; A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.13Å |
| 58 | A | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | I54 R55 K56 L61 L62 L78 I98 L99 | I54-A58 PolarHBondContact O-N 3.46Å; R55-A58 PolarHBondContact O-N 3.15Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.35Å; A58-L61 PolarHBondContact O-N 2.9Å; A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.36Å; A58-L78 HydrophobicContact CB-CD2 4.33Å; A58-I98 HydrophobicContact CB-CB 4.16Å; A58-I98 HydrophobicContact CB-CD1 4.48Å; A58-I98 HydrophobicContact CB-CG2 3.93Å; A58-L99 HydrophobicContact CB-CD2 4.19Å |
| 59 | R | 95.5 | Very high | 93.6 | Very high | 159 Ų | 159 | 76.9 Ų | 76.9 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 176.5 | -75.4 | -171.3 | -62.4 | 159.5 | 2.8 | 112.5 | R55 K56 A57 L62 T63 L99 | R55-R59 WeakPolarHBondContact O-CG 3.26Å; R55-R59 PolarHBondContact O-N 2.76Å; K56-R59 PolarHBondContact O-N 3.45Å; A57-R59 PolarHBondContact O-N 2.92Å; R59-L62 PolarHBondContact O-N 3.21Å; R59-T63 WeakPolarHBondContact O-CG2 3.44Å; R59-T63 PolarHBondContact O-N 2.83Å; R59-L99 HydrophobicContact CG-CD2 3.74Å |
| 60 | E | 93.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 79.8 Ų | 79.8 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.1 | -71.1 | 168.5 | -175.9 | 0 | 0 | 110.2 | K56 A57 L62 T63 L64 | K56-E60 WeakPolarHBondContact CE-OE1 3.48Å; K56-E60 IonicContact NZ-OE1 2.7Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.43Å; A57-E60 PolarHBondContact O-N 3.17Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-T63 PolarHBondContact O-N 3.19Å; E60-T63 PolarHBondContact O-OG1 3.16Å; E60-L64 WeakPolarHBondContact O-CD1 3.4Å |
| 61 | L | 92.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 179 | -64.5 | 171 | 0 | 0 | 0 | 113.6 | A57 A58 T63 L64 R71 E74 L95 | A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.13Å; A58-L61 PolarHBondContact O-N 2.9Å; L61-T63 VanDerWaalsContact C-N 3.25Å; L61-T63 PolarHBondContact O-N 3.38Å; L61-L64 PolarHBondContact O-N 3.04Å; L61-R71 PolarHBondContact O-NH1 2.92Å; L61-E74 HydrophobicContact CD1-CB 4.11Å; L61-E74 HydrophobicContact CD2-CB 3.83Å; L61-L95 HydrophobicContact CB-CD1 4.15Å |
| 62 | L | 93.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 82.4 Ų | 82.4 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.7 | -21.4 | 178.8 | -77.8 | 170.6 | 0 | 0 | 0 | 113.4 | A58 R59 E60 L64 R71 L95 D96 L99 | A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.36Å; R59-L62 PolarHBondContact O-N 3.21Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.14Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-R71 PolarHBondContact O-NH1 3.32Å; L62-R71 VanDerWaalsContact O-NH1 3.12Å; L62-L95 HydrophobicContact CD2-CB 3.76Å; L62-L95 HydrophobicContact CD2-CD1 4.36Å; L62-L95 HydrophobicContact CG-CB 4.14Å; L62-D96 WeakPolarHBondContact CD2-OD1 3.25Å; L62-L99 HydrophobicContact CD1-CD1 3.66Å; L62-L99 HydrophobicContact CD1-CG 4.16Å |
| 63 | T | 93.5 | Very high | 93.3 | Very high | 119 Ų | 119 | 87.6 Ų | 87.6 | 73% | 0.73 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.1 | -19.1 | 175.4 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | R59 E60 L61 | R59-T63 WeakPolarHBondContact O-CG2 3.44Å; R59-T63 PolarHBondContact O-N 2.83Å; E60-T63 PolarHBondContact O-N 3.19Å; E60-T63 PolarHBondContact O-OG1 3.16Å; L61-T63 VanDerWaalsContact C-N 3.25Å; L61-T63 PolarHBondContact O-N 3.38Å |
| 64 | L | 93.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 86.4 Ų | 86.4 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -82.9 | 156.6 | 177.4 | -76.3 | 75.9 | 0 | 0 | 0 | 110.4 | E60 L61 L62 D68 K70 R71 | E60-L64 WeakPolarHBondContact O-CD1 3.4Å; L61-L64 PolarHBondContact O-N 3.04Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L64-D68 HydrophobicContact CB-CB 4.22Å; L64-D68 HydrophobicContact CD2-CB 4.31Å; L64-D68 WeakPolarHBondContact CD2-OD1 3.38Å; L64-K70 HydrophobicContact CD2-CB 4.22Å; L64-K70 HydrophobicContact CD2-CD 4.25Å; L64-R71 HydrophobicContact CB-CB 4.35Å; L64-R71 PolarHBondContact O-NH1 3.32Å |
| 65 | D | 92.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 59% | 0.594 | 41% | 0.41 | S | S | * | . | trans | -59.6 | 151.9 | 174 | -176.6 | 55.6 | 0 | 0 | 0 | 112 | K67 D68 R71 | D65-K67 PolarHBondContact O-N 2.86Å; D65-K67 PolarHBondContact OD2-N 3.36Å; D65-D68 WeakPolarHBondContact O-CB 3.37Å; D65-D68 PolarHBondContact O-N 3.46Å; D65-D68 VanDerWaalsContact O-N 3.15Å; D65-R71 WeakPolarHBondContact O-CD 3.48Å | ||
| 66 | E | 88.4 | Confident | 93 | Very high | 142 Ų | 142 | 84.3 Ų | 84.3 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32 | -175.7 | -65.8 | -167.2 | 163.1 | 0 | 0 | 113.5 | ||
| 67 | K | 92.4 | Very high | 92.9 | Very high | 177 Ų | 177 | 80.8 Ų | 80.8 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1.1 | -177.8 | -64.3 | -178.6 | -179.2 | 176.8 | 0 | 113.4 | D65 | D65-K67 PolarHBondContact O-N 2.86Å; D65-K67 PolarHBondContact OD2-N 3.36Å |
| 68 | D | 93.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | trans | -61.8 | 131.7 | 179.4 | -176.1 | -81.8 | 0 | 0 | 0 | 110.9 | L64 D65 K70 R71 L72 | L64-D68 HydrophobicContact CB-CB 4.22Å; L64-D68 HydrophobicContact CD2-CB 4.31Å; L64-D68 WeakPolarHBondContact CD2-OD1 3.38Å; D65-D68 WeakPolarHBondContact O-CB 3.37Å; D65-D68 PolarHBondContact O-N 3.46Å; D65-D68 VanDerWaalsContact O-N 3.15Å; D68-K70 PolarHBondContact O-N 3.09Å; D68-K70 WeakPolarHBondContact OD1-CA 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.4Å; D68-K70 PolarHBondContact OD1-N 3.03Å; D68-R71 HydrophobicContact CB-CB 4.18Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 VanDerWaalsContact O-N 3.12Å; D68-R71 PolarHBondContact OD1-N 2.92Å; D68-L72 WeakPolarHBondContact O-CG 2.88Å; D68-L72 PolarHBondContact O-N 3.28Å | ||
| 69 | P | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 80.7 Ų | 80.7 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.9 | -33.2 | -175.9 | 23.7 | -34.5 | 0 | 0 | 0 | 112.7 | F73 | P69-F73 WeakPolarHBondContact O-CB 3.24Å; P69-F73 PolarHBondContact O-N 3.08Å |
| 70 | K | 92.6 | Very high | 92.6 | Very high | 107 Ų | 107 | 81.3 Ų | 81.3 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -43.3 | 177.5 | -171.1 | -177.8 | 177.4 | -176.9 | 0 | 110.7 | L64 D68 F73 E74 | L64-K70 HydrophobicContact CD2-CB 4.22Å; L64-K70 HydrophobicContact CD2-CD 4.25Å; D68-K70 PolarHBondContact O-N 3.09Å; D68-K70 WeakPolarHBondContact OD1-CA 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.4Å; D68-K70 PolarHBondContact OD1-N 3.03Å; K70-F73 PolarHBondContact O-N 3.42Å; K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact O-CB 3.33Å; K70-E74 PolarHBondContact O-N 3.3Å |
| 71 | R | 92.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 84.4 Ų | 84.4 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 175.9 | -175.1 | -178.6 | 173 | 128.4 | -5.7 | 111.2 | L61 L62 L64 D65 D68 G75 L95 | L61-R71 PolarHBondContact O-NH1 2.92Å; L62-R71 PolarHBondContact O-NH1 3.32Å; L62-R71 VanDerWaalsContact O-NH1 3.12Å; L64-R71 HydrophobicContact CB-CB 4.35Å; L64-R71 PolarHBondContact O-NH1 3.32Å; D65-R71 WeakPolarHBondContact O-CD 3.48Å; D68-R71 HydrophobicContact CB-CB 4.18Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 VanDerWaalsContact O-N 3.12Å; D68-R71 PolarHBondContact OD1-N 2.92Å; R71-G75 VanDerWaalsContact O-CA 3.24Å; R71-G75 WeakPolarHBondContact O-CA 3.34Å; R71-G75 PolarHBondContact O-N 3.46Å; R71-L95 HydrophobicContact CG-CD1 4.34Å |
| 72 | L | 91.6 | Very high | 92.4 | Very high | 87 Ų | 87 | 84.3 Ų | 84.3 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 179.3 | -68.7 | 174.2 | 0 | 0 | 0 | 112 | D68 N76 | D68-L72 WeakPolarHBondContact O-CG 2.88Å; D68-L72 PolarHBondContact O-N 3.28Å; L72-N76 WeakPolarHBondContact O-CB 3.05Å; L72-N76 PolarHBondContact O-N 2.79Å; L72-N76 PolarHBondContact O-ND2 3.4Å |
| 73 | F | 93.5 | Very high | 92.4 | Very high | 161 Ų | 161 | 83 Ų | 83 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.5 | -57.4 | -177.2 | -176.9 | -103.8 | 0 | 0 | 0 | 112.5 | P69 K70 A77 | P69-F73 WeakPolarHBondContact O-CB 3.24Å; P69-F73 PolarHBondContact O-N 3.08Å; K70-F73 PolarHBondContact O-N 3.42Å; F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.11Å; F73-A77 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 93.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 83.8 Ų | 83.8 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | -176.6 | -66.2 | -173.3 | -177.8 | 0 | 0 | 111.7 | L61 K70 A77 L78 | L61-E74 HydrophobicContact CD1-CB 4.11Å; L61-E74 HydrophobicContact CD2-CB 3.83Å; K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact O-CB 3.33Å; K70-E74 PolarHBondContact O-N 3.3Å; E74-A77 PolarHBondContact O-N 3.44Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 2.91Å |
| 75 | G | 91.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 83.2 Ų | 83.2 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R71 A77 L78 L79 | R71-G75 VanDerWaalsContact O-CA 3.24Å; R71-G75 WeakPolarHBondContact O-CA 3.34Å; R71-G75 PolarHBondContact O-N 3.46Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.86Å; G75-L78 PolarHBondContact O-N 2.91Å; G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.78Å |
| 76 | N | 91.5 | Very high | 92 | Very high | 75 Ų | 75 | 79 Ų | 79 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 176 | -77.1 | -36.6 | 0 | 0 | 0 | 112.1 | L72 L78 L79 R80 | L72-N76 WeakPolarHBondContact O-CB 3.05Å; L72-N76 PolarHBondContact O-N 2.79Å; L72-N76 PolarHBondContact O-ND2 3.4Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 2.86Å; N76-L79 PolarHBondContact O-N 3.48Å; N76-R80 VanDerWaalsContact O-CB 3.32Å; N76-R80 WeakPolarHBondContact O-CB 3.22Å; N76-R80 WeakPolarHBondContact O-CG 3.46Å; N76-R80 PolarHBondContact O-N 3.35Å |
| 77 | A | 93.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 73 Ų | 73 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F73 E74 G75 R81 | F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.11Å; F73-A77 VanDerWaalsContact O-N 3.08Å; E74-A77 PolarHBondContact O-N 3.44Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.86Å; A77-R81 WeakPolarHBondContact O-CB 3.47Å; A77-R81 PolarHBondContact O-N 2.79Å |
| 78 | L | 92 | Very high | 91.9 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -48.3 | 177.2 | -171.1 | 64.1 | 0 | 0 | 0 | 111.4 | I54 A58 E74 G75 N76 R81 L82 I98 | I54-L78 HydrophobicContact CG2-CD1 4.26Å; A58-L78 HydrophobicContact CB-CD2 4.33Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 2.91Å; G75-L78 PolarHBondContact O-N 2.91Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 2.86Å; L78-R81 PolarHBondContact O-N 3.38Å; L78-L82 HydrophobicContact CG-CD1 4.47Å; L78-L82 PolarHBondContact O-N 3.25Å; L78-L82 VanDerWaalsContact O-N 3.14Å; L78-I98 HydrophobicContact CD2-CD1 3.66Å; L78-I98 HydrophobicContact CG-CD1 4Å |
| 79 | L | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 178.3 | -72.8 | 169.6 | 0 | 0 | 0 | 111.6 | G75 N76 R81 L82 V83 L88 L95 I98 | G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.78Å; N76-L79 PolarHBondContact O-N 3.48Å; L79-R81 PolarHBondContact O-N 2.87Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 2.77Å; L79-L88 HydrophobicContact CD2-CD2 3.72Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L79-L95 HydrophobicContact CD2-CD2 4.48Å; L79-L95 HydrophobicContact CG-CD2 4.09Å; L79-I98 HydrophobicContact CD2-CD1 3.8Å; L79-I98 HydrophobicContact CD2-CG1 4.12Å; L79-I98 HydrophobicContact CG-CD1 4.36Å |
| 80 | R | 92 | Very high | 91 | Very high | 171 Ų | 171 | 69.3 Ų | 69.3 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -56.7 | -37.1 | 177.8 | -74.3 | 173.6 | -178.7 | 168.9 | 1.2 | 112.4 | N76 R84 | N76-R80 VanDerWaalsContact O-CB 3.32Å; N76-R80 WeakPolarHBondContact O-CB 3.22Å; N76-R80 WeakPolarHBondContact O-CG 3.46Å; N76-R80 PolarHBondContact O-N 3.35Å; R80-R84 WeakPolarHBondContact O-CB 3.26Å; R80-R84 PolarHBondContact O-N 3.15Å |
| 81 | R | 91.7 | Very high | 90.5 | Very high | 168 Ų | 168 | 67.6 Ų | 67.6 | 63% | 0.634 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.9 | -42 | 178 | -171.1 | -177.1 | -59.5 | 177.9 | 2.9 | 111.9 | A77 L78 L79 I85 | A77-R81 WeakPolarHBondContact O-CB 3.47Å; A77-R81 PolarHBondContact O-N 2.79Å; L78-R81 PolarHBondContact O-N 3.38Å; L79-R81 PolarHBondContact O-N 2.87Å; R81-I85 HydrophobicContact CG-CD1 4.38Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 3.38Å |
| 82 | L | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 179.8 | -71.6 | 171.6 | 0 | 0 | 0 | 111.9 | I54 L78 L79 I85 G86 V87 L88 I98 L101 F106 | I54-L82 HydrophobicContact CD1-CD2 4.27Å; I54-L82 HydrophobicContact CG2-CD1 4.22Å; L78-L82 HydrophobicContact CG-CD1 4.47Å; L78-L82 PolarHBondContact O-N 3.25Å; L78-L82 VanDerWaalsContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L82-I85 PolarHBondContact O-N 3.27Å; L82-G86 PolarHBondContact O-N 2.64Å; L82-V87 HydrophobicContact CD2-CB 4.29Å; L82-V87 HydrophobicContact CD2-CG1 4.4Å; L82-V87 PolarHBondContact O-N 3.46Å; L82-V87 VanDerWaalsContact O-N 3.09Å; L82-L88 HydrophobicContact CB-CB 4.18Å; L82-I98 HydrophobicContact CD1-CD1 3.8Å; L82-I98 HydrophobicContact CD1-CG1 3.82Å; L82-I98 HydrophobicContact CD1-CG2 4.1Å; L82-L101 HydrophobicContact CD1-CD1 4.14Å; L82-L101 HydrophobicContact CD2-CD1 4.38Å; L82-F106 HydrophobicContact CD2-CE1 4.36Å; L82-F106 HydrophobicContact CD2-CZ 3.88Å |
| 83 | V | 92.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L79 I85 G86 L88 E90 M93 L152 | L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 2.77Å; V83-I85 PolarHBondContact O-N 2.81Å; V83-I85 VanDerWaalsContact O-N 3.15Å; V83-G86 WeakPolarHBondContact O-CA 3.32Å; V83-G86 PolarHBondContact O-N 2.92Å; V83-L88 HydrophobicContact CG2-CB 4.36Å; V83-E90 HydrophobicContact CG1-CG 3.96Å; V83-M93 HydrophobicContact CG1-CE 4.33Å; V83-M93 HydrophobicContact CG2-CE 4.21Å; V83-M93 HydrophobicContact CG2-CG 4.4Å; V83-L152 WeakPolarHBondContact O-CD1 3.4Å |
| 84 | R | 91.9 | Very high | 89.3 | Confident | 136 Ų | 136 | 70.1 Ų | 70.1 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.9 | -34.1 | 177.8 | -174.9 | -179.8 | -61.7 | 178.5 | -0.8 | 113.5 | R80 R151 L152 | R80-R84 WeakPolarHBondContact O-CB 3.26Å; R80-R84 PolarHBondContact O-N 3.15Å; R84-R151 WeakPolarHBondContact O-CA 3.38Å; R84-L152 PolarHBondContact O-N 2.98Å |
| 85 | I | 91.5 | Very high | 88.9 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 20% | 0.195 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -75.9 | -30.3 | 175 | -66.8 | 168.3 | 0 | 0 | 0 | 110.8 | R81 L82 V83 V87 R109 V149 | R81-I85 HydrophobicContact CG-CD1 4.38Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 3.38Å; L82-I85 PolarHBondContact O-N 3.27Å; V83-I85 PolarHBondContact O-N 2.81Å; V83-I85 VanDerWaalsContact O-N 3.15Å; I85-V87 HydrophobicContact CB-CG2 4.25Å; I85-V87 HydrophobicContact CG2-CG2 3.7Å; I85-R109 HydrophobicContact CG2-CB 4.13Å; I85-R109 HydrophobicContact CG2-CG 4.17Å; I85-R109 PolarHBondContact O-NE 2.94Å; I85-R109 PolarHBondContact O-NH2 3Å; I85-V149 HydrophobicContact CB-CG1 4.44Å; I85-V149 HydrophobicContact CG1-CG1 4.34Å; I85-V149 HydrophobicContact CG2-CG1 3.32Å |
| 86 | G | 89.1 | Confident | 88.8 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 25 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L82 V83 R109 | L82-G86 PolarHBondContact O-N 2.64Å; V83-G86 WeakPolarHBondContact O-CA 3.32Å; V83-G86 PolarHBondContact O-N 2.92Å; G86-R109 WeakPolarHBondContact O-CD 3.43Å |
| 87 | V | 90.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -80.6 | -32.2 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L82 I85 L101 D105 F106 R109 | L82-V87 HydrophobicContact CD2-CB 4.29Å; L82-V87 HydrophobicContact CD2-CG1 4.4Å; L82-V87 PolarHBondContact O-N 3.46Å; L82-V87 VanDerWaalsContact O-N 3.09Å; I85-V87 HydrophobicContact CB-CG2 4.25Å; I85-V87 HydrophobicContact CG2-CG2 3.7Å; V87-L101 HydrophobicContact CG1-CD1 3.95Å; V87-L101 HydrophobicContact CG1-CD2 3.81Å; V87-L101 HydrophobicContact CG1-CG 4.45Å; V87-D105 HydrophobicContact CG1-CB 3.85Å; V87-F106 HydrophobicContact CG1-CD2 4.08Å; V87-F106 HydrophobicContact CG1-CE1 4.44Å; V87-F106 HydrophobicContact CG1-CE2 3.73Å; V87-F106 HydrophobicContact CG1-CZ 3.93Å; V87-F106 HydrophobicContact CG2-CD1 3.94Å; V87-F106 HydrophobicContact CG2-CE1 3.88Å; V87-F106 HydrophobicContact CG2-CG 4.3Å; V87-F106 HydrophobicContact CG2-CZ 4.19Å; V87-R109 HydrophobicContact CG2-CG 4.2Å |
| 88 | L | 88.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -117.5 | 141.5 | 179.1 | -169 | 63.5 | 0 | 0 | 0 | 108.7 | L79 L82 V83 K92 | L79-L88 HydrophobicContact CD2-CD2 3.72Å; L82-L88 HydrophobicContact CB-CB 4.18Å; V83-L88 HydrophobicContact CG2-CB 4.36Å; L88-K92 HydrophobicContact CD1-CB 3.81Å; L88-K92 WeakPolarHBondContact CD2-O 3.45Å; L88-K92 HydrophobicContact CG-CB 4.27Å |
| 89 | D | 86.4 | Confident | 88.4 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | trans | -79.6 | 154.1 | 176.5 | -171.6 | 28.4 | 0 | 0 | 0 | 111.5 | G91 K92 | D89-G91 PolarHBondContact O-N 3.45Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 VanDerWaalsContact O-N 3.07Å | ||
| 90 | E | 82.5 | Confident | 88.4 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -64.9 | -29.3 | -176.7 | -67.8 | -178.9 | -172.7 | 0 | 0 | 112.2 | V83 K92 M93 | V83-E90 HydrophobicContact CG1-CG 3.96Å; E90-K92 PolarHBondContact O-N 2.89Å; E90-M93 HydrophobicContact CB-CE 4.16Å; E90-M93 HydrophobicContact CG-CE 4.3Å; E90-M93 WeakPolarHBondContact O-CG 3.33Å |
| 91 | G | 82.6 | Confident | 88.3 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 73% | 0.732 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -73.2 | -10.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D89 | D89-G91 PolarHBondContact O-N 3.45Š|
| 92 | K | 82.4 | Confident | 88.4 | Confident | 105 Ų | 105 | 65.5 Ų | 65.5 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -113.2 | 38.3 | -173.4 | -63.7 | -177.3 | -177.4 | 172.5 | 0 | 112.8 | L88 D89 E90 K94 Y97 | L88-K92 HydrophobicContact CD1-CB 3.81Å; L88-K92 WeakPolarHBondContact CD2-O 3.45Å; L88-K92 HydrophobicContact CG-CB 4.27Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 VanDerWaalsContact O-N 3.07Å; E90-K92 PolarHBondContact O-N 2.89Å; K92-K94 PolarHBondContact O-N 3.46Å; K92-Y97 HydrophobicContact CB-CD2 3.78Å; K92-Y97 HydrophobicContact CB-CE2 4.12Å; K92-Y97 HydrophobicContact CB-CG 4.06Å; K92-Y97 HydrophobicContact CD-CD1 4.42Å; K92-Y97 HydrophobicContact CG-CD2 4.42Å; K92-Y97 HydrophobicContact CG-CE2 4.38Å; K92-Y97 WeakPolarHBondContact O-CD2 3.49Å |
| 93 | M | 82.2 | Confident | 88.4 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 51% | 0.512 | 35% | 0.349 | S | S | . | . | trans | -76.3 | 51.9 | 180 | -66.7 | -166.2 | -163.9 | 0 | 0 | 114.1 | V83 E90 | V83-M93 HydrophobicContact CG1-CE 4.33Å; V83-M93 HydrophobicContact CG2-CE 4.21Å; V83-M93 HydrophobicContact CG2-CG 4.4Å; E90-M93 HydrophobicContact CB-CE 4.16Å; E90-M93 HydrophobicContact CG-CE 4.3Å; E90-M93 WeakPolarHBondContact O-CG 3.33Å | ||
| 94 | K | 87.1 | Confident | 88.3 | Confident | 131 Ų | 131 | 68.8 Ų | 68.8 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -120.1 | 147.6 | 169 | -62.6 | -174.2 | 177.8 | -176.4 | 0 | 110.4 | K92 D96 Y97 | K92-K94 PolarHBondContact O-N 3.46Å; K94-D96 PolarHBondContact O-N 3.15Å; K94-Y97 HydrophobicContact CB-CD2 3.78Å; K94-Y97 HydrophobicContact CB-CE2 3.99Å; K94-Y97 HydrophobicContact CD-CE2 4.31Å; K94-Y97 HydrophobicContact CG-CE2 4.29Å; K94-Y97 PolarHBondContact O-N 3.27Å |
| 95 | L | 84.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -29.7 | -179.5 | -70.7 | 177.2 | 0 | 0 | 0 | 112.5 | L61 L62 R71 L79 Y97 I98 | L61-L95 HydrophobicContact CB-CD1 4.15Å; L62-L95 HydrophobicContact CD2-CB 3.76Å; L62-L95 HydrophobicContact CD2-CD1 4.36Å; L62-L95 HydrophobicContact CG-CB 4.14Å; R71-L95 HydrophobicContact CG-CD1 4.34Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L79-L95 HydrophobicContact CD2-CD2 4.48Å; L79-L95 HydrophobicContact CG-CD2 4.09Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.98Å; L95-I98 HydrophobicContact CD2-CD1 3.76Å; L95-I98 VanDerWaalsContact O-CB 3.26Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 WeakPolarHBondContact O-CG1 3.44Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-I98 VanDerWaalsContact O-N 3.09Å |
| 96 | D | 89.4 | Confident | 88.3 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | -179.2 | -52.8 | -56 | 0 | 0 | 0 | 112.5 | L62 K94 I98 L99 | L62-D96 WeakPolarHBondContact CD2-OD1 3.25Å; K94-D96 PolarHBondContact O-N 3.15Å; D96-I98 PolarHBondContact O-N 3.17Å; D96-L99 WeakPolarHBondContact O-CB 3Å; D96-L99 PolarHBondContact O-N 3.08Å |
| 97 | Y | 89.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.3 | -23.8 | 178.2 | -66.8 | -64.2 | 0 | 0 | 0 | 112.8 | K92 K94 L95 L99 G100 | K92-Y97 HydrophobicContact CB-CD2 3.78Å; K92-Y97 HydrophobicContact CB-CE2 4.12Å; K92-Y97 HydrophobicContact CB-CG 4.06Å; K92-Y97 HydrophobicContact CD-CD1 4.42Å; K92-Y97 HydrophobicContact CG-CD2 4.42Å; K92-Y97 HydrophobicContact CG-CE2 4.38Å; K92-Y97 WeakPolarHBondContact O-CD2 3.49Å; K94-Y97 HydrophobicContact CB-CD2 3.78Å; K94-Y97 HydrophobicContact CB-CE2 3.99Å; K94-Y97 HydrophobicContact CD-CE2 4.31Å; K94-Y97 HydrophobicContact CG-CE2 4.29Å; K94-Y97 PolarHBondContact O-N 3.27Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.98Å; Y97-L99 PolarHBondContact O-N 3.16Å; Y97-G100 PolarHBondContact O-N 3.24Å; Y97-G100 VanDerWaalsContact O-N 3.16Å |
| 98 | I | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 175.1 | -56 | 179.9 | 0 | 0 | 0 | 110.6 | I54 A58 L78 L79 L82 L95 D96 G100 L101 | I54-I98 HydrophobicContact CG2-CG2 3.49Å; I54-I98 VanDerWaalsContact CG2-CG2 3.49Å; A58-I98 HydrophobicContact CB-CB 4.16Å; A58-I98 HydrophobicContact CB-CD1 4.48Å; A58-I98 HydrophobicContact CB-CG2 3.93Å; L78-I98 HydrophobicContact CD2-CD1 3.66Å; L78-I98 HydrophobicContact CG-CD1 4Å; L79-I98 HydrophobicContact CD2-CD1 3.8Å; L79-I98 HydrophobicContact CD2-CG1 4.12Å; L79-I98 HydrophobicContact CG-CD1 4.36Å; L82-I98 HydrophobicContact CD1-CD1 3.8Å; L82-I98 HydrophobicContact CD1-CG1 3.82Å; L82-I98 HydrophobicContact CD1-CG2 4.1Å; L95-I98 HydrophobicContact CD2-CD1 3.76Å; L95-I98 VanDerWaalsContact O-CB 3.26Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 WeakPolarHBondContact O-CG1 3.44Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-I98 VanDerWaalsContact O-N 3.09Å; D96-I98 PolarHBondContact O-N 3.17Å; I98-G100 VanDerWaalsContact C-N 3.27Å; I98-G100 PolarHBondContact O-N 3.41Å; I98-L101 HydrophobicContact CG2-CD1 4.1Å; I98-L101 WeakPolarHBondContact O-CG 3.3Å; I98-L101 PolarHBondContact O-N 3.15Å |
| 99 | L | 89.6 | Confident | 88.8 | Confident | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 177.3 | -59 | -177.8 | 0 | 0 | 0 | 111.5 | R55 A58 R59 L62 D96 Y97 L101 | R55-L99 PolarHBondContact NE-O 3.24Å; R55-L99 PolarHBondContact NH2-O 3.29Å; A58-L99 HydrophobicContact CB-CD2 4.19Å; R59-L99 HydrophobicContact CG-CD2 3.74Å; L62-L99 HydrophobicContact CD1-CD1 3.66Å; L62-L99 HydrophobicContact CD1-CG 4.16Å; D96-L99 WeakPolarHBondContact O-CB 3Å; D96-L99 PolarHBondContact O-N 3.08Å; Y97-L99 PolarHBondContact O-N 3.16Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 2.93Å |
| 100 | G | 90.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.7 | -10.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y97 I98 K102 | Y97-G100 PolarHBondContact O-N 3.24Å; Y97-G100 VanDerWaalsContact O-N 3.16Å; I98-G100 VanDerWaalsContact C-N 3.27Å; I98-G100 PolarHBondContact O-N 3.41Å; G100-K102 PolarHBondContact O-N 2.99Å |
| 101 | L | 91.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -60.5 | 135 | -175.4 | -68.7 | 177.7 | 0 | 0 | 0 | 113 | R55 L82 V87 I98 L99 F106 | R55-L101 VanDerWaalsContact CZ-O 3.24Å; R55-L101 PolarHBondContact NH2-O 3.32Å; L82-L101 HydrophobicContact CD1-CD1 4.14Å; L82-L101 HydrophobicContact CD2-CD1 4.38Å; V87-L101 HydrophobicContact CG1-CD1 3.95Å; V87-L101 HydrophobicContact CG1-CD2 3.81Å; V87-L101 HydrophobicContact CG1-CG 4.45Å; I98-L101 HydrophobicContact CG2-CD1 4.1Å; I98-L101 WeakPolarHBondContact O-CG 3.3Å; I98-L101 PolarHBondContact O-N 3.15Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 2.93Å; L101-F106 HydrophobicContact CD1-CE2 4.27Å | ||
| 102 | K | 92.1 | Very high | 90.3 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | trans | -101.4 | 174.6 | 177.8 | -51 | -176.6 | 177.4 | 173.9 | 0 | 111.2 | L51 G100 E104 D105 | L51-K102 VanDerWaalsContact CD1-O 3.31Å; L51-K102 WeakPolarHBondContact CD1-O 3.46Å; G100-K102 PolarHBondContact O-N 2.99Å; K102-E104 VanDerWaalsContact C-N 3.3Å; K102-E104 WeakPolarHBondContact CB-OE2 3.1Å; K102-D105 PolarHBondContact N-OD2 2.93Å | ||
| 103 | V | 91.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.7 | -32.9 | -177.6 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L31 V47 K48 L51 D105 F106 L107 | L31-V103 HydrophobicContact CD1-CG1 4.49Å; V47-V103 HydrophobicContact CB-CG1 4.31Å; V47-V103 HydrophobicContact CG1-CG1 3.86Å; K48-V103 HydrophobicContact CG-CG2 3.94Å; L51-V103 HydrophobicContact CD1-CG2 4.21Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.75Å; V103-F106 PolarHBondContact O-N 3.12Å; V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.27Å |
| 104 | E | 91.5 | Very high | 91.5 | Very high | 65 Ų | 65 | 42.2 Ų | 42.2 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 178.5 | -63.6 | 77.5 | -169.4 | 0 | 0 | 110.6 | L31 K102 F106 L107 E108 | L31-E104 HydrophobicContact CD2-CG 4.06Å; K102-E104 VanDerWaalsContact C-N 3.3Å; K102-E104 WeakPolarHBondContact CB-OE2 3.1Å; E104-F106 PolarHBondContact O-N 3.35Å; E104-L107 CarbonylContact O-C 3.57Å; E104-L107 WeakPolarHBondContact O-CA 3.23Å; E104-L107 PolarHBondContact O-N 2.85Å; E104-E108 VanDerWaalsContact O-CG 3.25Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 2.94Å |
| 105 | D | 91.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.8 | -35.6 | -179.4 | -52.4 | -35 | 0 | 0 | 0 | 112.6 | V87 K102 V103 R109 | V87-D105 HydrophobicContact CG1-CB 3.85Å; K102-D105 PolarHBondContact N-OD2 2.93Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.75Å; D105-R109 WeakPolarHBondContact O-CG 3.48Å |
| 106 | F | 91.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 39 Ų | 39 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -81.3 | -33.7 | 175.9 | -77.4 | -90.7 | 0 | 0 | 0 | 113.1 | V47 L51 I54 L82 V87 L101 V103 E104 E108 R109 | V47-F106 HydrophobicContact CG1-CB 3.5Å; V47-F106 VanDerWaalsContact CG1-CB 3.5Å; V47-F106 HydrophobicContact CG1-CG 4.16Å; L51-F106 HydrophobicContact CD1-CD2 4.23Å; L51-F106 HydrophobicContact CD1-CE2 4.25Å; L51-F106 HydrophobicContact CG-CE2 4.25Å; I54-F106 HydrophobicContact CD1-CE1 3.99Å; I54-F106 HydrophobicContact CD1-CZ 3.64Å; L82-F106 HydrophobicContact CD2-CE1 4.36Å; L82-F106 HydrophobicContact CD2-CZ 3.88Å; V87-F106 HydrophobicContact CG1-CD2 4.08Å; V87-F106 HydrophobicContact CG1-CE1 4.44Å; V87-F106 HydrophobicContact CG1-CE2 3.73Å; V87-F106 HydrophobicContact CG1-CZ 3.93Å; V87-F106 HydrophobicContact CG2-CD1 3.94Å; V87-F106 HydrophobicContact CG2-CE1 3.88Å; V87-F106 HydrophobicContact CG2-CG 4.3Å; V87-F106 HydrophobicContact CG2-CZ 4.19Å; L101-F106 HydrophobicContact CD1-CE2 4.27Å; V103-F106 PolarHBondContact O-N 3.12Å; E104-F106 PolarHBondContact O-N 3.35Å; F106-E108 VanDerWaalsContact C-N 3.32Å; F106-R109 PolarHBondContact O-N 3.41Å |
| 107 | L | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -31 | 177.8 | -68.1 | 176.7 | 0 | 0 | 0 | 111.6 | L31 Y36 L38 V47 V103 E104 R109 R110 T113 | L31-L107 HydrophobicContact CD2-CD1 4.23Å; Y36-L107 HydrophobicContact CD1-CB 3.43Å; Y36-L107 VanDerWaalsContact CD1-CB 3.43Å; Y36-L107 HydrophobicContact CD1-CD1 4.42Å; Y36-L107 HydrophobicContact CD1-CG 4.48Å; Y36-L107 HydrophobicContact CD2-CB 4.28Å; Y36-L107 HydrophobicContact CD2-CD1 3.82Å; Y36-L107 HydrophobicContact CE1-CB 3.51Å; Y36-L107 HydrophobicContact CE2-CB 4.33Å; Y36-L107 HydrophobicContact CE2-CD1 4.15Å; Y36-L107 HydrophobicContact CG-CB 3.87Å; Y36-L107 HydrophobicContact CG-CD1 4Å; Y36-L107 HydrophobicContact CG-CG 4.49Å; L38-L107 HydrophobicContact CD1-CD1 4.43Å; L38-L107 HydrophobicContact CD1-CD2 4.27Å; L38-L107 HydrophobicContact CD2-CD2 4.27Å; V47-L107 HydrophobicContact CG2-CD2 3.94Å; V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.27Å; E104-L107 CarbonylContact O-C 3.57Å; E104-L107 WeakPolarHBondContact O-CA 3.23Å; E104-L107 PolarHBondContact O-N 2.85Å; L107-R109 PolarHBondContact O-N 3.45Å; L107-R110 WeakPolarHBondContact O-CB 3.47Å; L107-R110 PolarHBondContact O-N 2.92Å; L107-T113 PolarHBondContact O-OG1 3.38Å |
| 108 | E | 92.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 39 Ų | 39 | 33% | 0.327 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.4 | -30.6 | 174 | -64.5 | -138.3 | 136.3 | 0 | 0 | 112.9 | Y36 E104 F106 R110 T113 Q114 K117 | Y36-E108 HydrophobicContact CE1-CG 4.2Å; E104-E108 VanDerWaalsContact O-CG 3.25Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 2.94Å; F106-E108 VanDerWaalsContact C-N 3.32Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.4Å; E108-T113 PolarHBondContact O-OG1 3.22Å; E108-T113 VanDerWaalsContact O-OG1 3.08Å; E108-Q114 PolarHBondContact O-NE2 3.32Å; E108-K117 IonicContact OE1-NZ 2.94Å; E108-K117 PolarHBondContact OE1-NZ 3.25Å; E108-K117 IonicContact OE2-NZ 3.84Å; E108-K117 PolarHBondContact OE2-NZ 3.32Å |
| 109 | R | 94.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 2.8 | -178 | -58.1 | -52.5 | -57.6 | 172 | 6.8 | 113.9 | I85 G86 V87 D105 F106 L107 V149 V150 | I85-R109 HydrophobicContact CG2-CB 4.13Å; I85-R109 HydrophobicContact CG2-CG 4.17Å; I85-R109 PolarHBondContact O-NE 2.94Å; I85-R109 PolarHBondContact O-NH2 3Å; G86-R109 WeakPolarHBondContact O-CD 3.43Å; V87-R109 HydrophobicContact CG2-CG 4.2Å; D105-R109 WeakPolarHBondContact O-CG 3.48Å; F106-R109 PolarHBondContact O-N 3.41Å; L107-R109 PolarHBondContact O-N 3.45Å; R109-V149 HydrophobicContact CB-CG1 4.27Å; R109-V150 PolarHBondContact NE-O 3.46Å; R109-V150 PolarHBondContact NH2-O 2.86Å; R109-V150 PolarHBondContact O-N 3.39Å |
| 110 | R | 94.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 144.7 | 176.6 | -66.8 | 175.8 | 74.2 | -116.2 | 0.8 | 110.3 | E43 L107 E108 Q112 T113 Q114 F148 | E43-R110 IonicContact OE2-CZ 2.75Å; E43-R110 IonicContact OE2-NH2 3.59Å; E43-R110 PolarHBondContact OE2-NH2 2.87Å; L107-R110 WeakPolarHBondContact O-CB 3.47Å; L107-R110 PolarHBondContact O-N 2.92Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.4Å; R110-Q112 PolarHBondContact O-N 2.85Å; R110-Q112 VanDerWaalsContact O-N 3.15Å; R110-T113 PolarHBondContact O-N 3.1Å; R110-T113 VanDerWaalsContact O-N 3.1Å; R110-T113 PolarHBondContact O-OG1 2.78Å; R110-Q114 WeakPolarHBondContact O-CG 3.32Å; R110-Q114 PolarHBondContact O-N 3.2Å; R110-F148 CarbonylContact C-O 3.5Å; R110-F148 WeakPolarHBondContact CA-O 3.36Å |
| 111 | L | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56 | -36.6 | 177.7 | -176.2 | 63.7 | 0 | 0 | 0 | 111.5 | T113 Q114 V115 I131 V138 V143 F148 V150 I158 | L111-T113 PolarHBondContact O-N 3.15Å; L111-Q114 PolarHBondContact O-N 3Å; L111-V115 HydrophobicContact CD1-CG2 4.01Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.34Å; L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.09Å; L111-I131 HydrophobicContact CD2-CG1 4.25Å; L111-I131 HydrophobicContact CD2-CG2 4.23Å; L111-I131 HydrophobicContact CG-CD1 3.84Å; L111-I131 HydrophobicContact CG-CG1 4.39Å; L111-V138 HydrophobicContact CD1-CG2 3.82Å; L111-V138 HydrophobicContact CD2-CG2 4.38Å; L111-V143 HydrophobicContact CD2-CB 3.88Å; L111-V143 HydrophobicContact CD2-CG1 3.63Å; L111-F148 HydrophobicContact CB-CB 4.05Å; L111-F148 HydrophobicContact CB-CD1 4.24Å; L111-F148 HydrophobicContact CD2-CB 4.34Å; L111-F148 HydrophobicContact CD2-CD1 4.36Å; L111-F148 PolarHBondContact N-O 3.06Å; L111-V150 HydrophobicContact CB-CG2 3.98Å; L111-V150 HydrophobicContact CD1-CG2 3.76Å; L111-V150 HydrophobicContact CG-CG2 4.5Å; L111-I158 HydrophobicContact CD1-CD1 4.02Å; L111-I158 HydrophobicContact CD1-CG1 4.37Å; L111-I158 HydrophobicContact CD1-CG2 4.33Å |
| 112 | Q | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 176.4 | -173.8 | 179.5 | -6.1 | 0 | 0 | 113.3 | Y36 G37 R110 F116 I124 A127 R128 I131 P146 | Y36-Q112 PolarHBondContact O-NE2 2.76Å; G37-Q112 PolarHBondContact O-NE2 3.45Å; R110-Q112 PolarHBondContact O-N 2.85Å; R110-Q112 VanDerWaalsContact O-N 3.15Å; Q112-F116 PolarHBondContact O-N 3.23Å; Q112-I124 HydrophobicContact CG-CG2 4.02Å; Q112-I124 PolarHBondContact NE2-O 3.34Å; Q112-A127 HydrophobicContact CG-CB 4.48Å; Q112-A127 WeakPolarHBondContact O-CB 3.34Å; Q112-R128 HydrophobicContact CG-CB 4.39Å; Q112-I131 HydrophobicContact CB-CD1 4.29Å; Q112-P146 HydrophobicContact CB-CB 4.13Å; Q112-P146 PolarHBondContact N-O 2.86Å |
| 113 | T | 93.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -78.8 | -36.1 | -178.7 | 39.2 | 0 | 0 | 0 | 0 | 112.1 | Y36 L107 E108 R110 L111 V115 F116 K117 | Y36-T113 HydrophobicContact CD1-CG2 3.41Å; Y36-T113 VanDerWaalsContact CD1-CG2 3.41Å; Y36-T113 HydrophobicContact CE1-CG2 4.02Å; Y36-T113 HydrophobicContact CG-CG2 4.39Å; L107-T113 PolarHBondContact O-OG1 3.38Å; E108-T113 PolarHBondContact O-OG1 3.22Å; E108-T113 VanDerWaalsContact O-OG1 3.08Å; R110-T113 PolarHBondContact O-N 3.1Å; R110-T113 VanDerWaalsContact O-N 3.1Å; R110-T113 PolarHBondContact O-OG1 2.78Å; L111-T113 PolarHBondContact O-N 3.15Å; T113-V115 VanDerWaalsContact C-N 3.34Å; T113-V115 PolarHBondContact O-N 3.1Å; T113-F116 PolarHBondContact O-N 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.88Å |
| 114 | Q | 94.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 174.4 | -68.3 | -65.5 | -37.5 | 0 | 0 | 111.8 | E108 R110 L111 F116 K117 L118 V150 Q155 I158 | E108-Q114 PolarHBondContact O-NE2 3.32Å; R110-Q114 WeakPolarHBondContact O-CG 3.32Å; R110-Q114 PolarHBondContact O-N 3.2Å; L111-Q114 PolarHBondContact O-N 3Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 3.14Å; Q114-K117 PolarHBondContact O-N 3.34Å; Q114-L118 WeakPolarHBondContact O-CB 3.1Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 2.97Å; Q114-V150 HydrophobicContact CB-CG2 4.39Å; Q114-V150 HydrophobicContact CG-CB 4.2Å; Q114-V150 HydrophobicContact CG-CG2 4.17Å; Q114-Q155 VanDerWaalsContact OE1-CD 3.25Å; Q114-I158 HydrophobicContact CB-CD1 4.02Å |
| 115 | V | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.2 | 165.8 | 0 | 0 | 0 | 0 | 112.1 | L111 T113 L120 A121 A127 I131 I136 I158 | L111-V115 HydrophobicContact CD1-CG2 4.01Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.34Å; T113-V115 VanDerWaalsContact C-N 3.34Å; T113-V115 PolarHBondContact O-N 3.1Å; V115-L120 HydrophobicContact CG1-CB 3.97Å; V115-L120 PolarHBondContact O-N 3.37Å; V115-A121 HydrophobicContact CG1-CB 4.1Å; V115-A127 HydrophobicContact CB-CB 4.21Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; V115-I131 HydrophobicContact CG2-CD1 4.37Å; V115-I136 HydrophobicContact CB-CD1 4.05Å; V115-I136 HydrophobicContact CG1-CD1 3.35Å; V115-I136 HydrophobicContact CG2-CD1 3.48Å; V115-I136 VanDerWaalsContact CG2-CD1 3.48Å; V115-I136 HydrophobicContact CG2-CG2 4.03Å; V115-I158 HydrophobicContact CG2-CG2 3.96Å |
| 116 | F | 93.9 | Very high | 93 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.6 | -46.7 | 176.3 | 175.4 | -109.9 | 0 | 0 | 0 | 111.8 | Q112 T113 Q114 L118 G119 A121 I124 | Q112-F116 PolarHBondContact O-N 3.23Å; T113-F116 PolarHBondContact O-N 3.32Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 3.14Å; F116-L118 VanDerWaalsContact C-N 3.26Å; F116-L118 PolarHBondContact O-N 2.92Å; F116-G119 PolarHBondContact O-N 3.34Å; F116-A121 WeakPolarHBondContact CD2-O 3.5Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 3.96Å; F116-I124 HydrophobicContact CD1-CG1 3.51Å; F116-I124 HydrophobicContact CD2-CG1 3.99Å; F116-I124 HydrophobicContact CE1-CD1 4.12Å; F116-I124 HydrophobicContact CE1-CG1 3.88Å; F116-I124 HydrophobicContact CE2-CG1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.49Å; F116-I124 HydrophobicContact CG-CG1 3.56Å; F116-I124 HydrophobicContact CZ-CG1 4.28Å |
| 117 | K | 92.8 | Very high | 93.2 | Very high | 118 Ų | 118 | 44.7 Ų | 44.7 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -31.8 | 177.6 | -72.9 | -169.8 | 179.2 | -168.9 | 0 | 112.4 | E108 T113 Q114 G119 | E108-K117 IonicContact OE1-NZ 2.94Å; E108-K117 PolarHBondContact OE1-NZ 3.25Å; E108-K117 IonicContact OE2-NZ 3.84Å; E108-K117 PolarHBondContact OE2-NZ 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.88Å; Q114-K117 PolarHBondContact O-N 3.34Å; K117-G119 PolarHBondContact O-N 2.89Å |
| 118 | L | 92.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 47 Ų | 47 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2 | 174.7 | -70.9 | 172 | 0 | 0 | 0 | 113.9 | Q114 F116 L120 I158 | Q114-L118 WeakPolarHBondContact O-CB 3.1Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 2.97Å; F116-L118 VanDerWaalsContact C-N 3.26Å; F116-L118 PolarHBondContact O-N 2.92Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 HydrophobicContact CB-CG 4.32Å; L118-L120 PolarHBondContact O-N 3.45Å; L118-I158 HydrophobicContact CD1-CB 3.79Å; L118-I158 HydrophobicContact CD1-CD1 3.98Å; L118-I158 HydrophobicContact CD1-CG1 4.43Å; L118-I158 HydrophobicContact CD1-CG2 4.06Å |
| 119 | G | 92.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | 4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F116 K117 A121 | F116-G119 PolarHBondContact O-N 3.34Å; K117-G119 PolarHBondContact O-N 2.89Å; G119-A121 PolarHBondContact O-N 3.11Å |
| 120 | L | 90.2 | Very high | 93.4 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -68 | -18.2 | 178 | -63.9 | 174.9 | 0 | 0 | 0 | 112.9 | V115 L118 I158 F160 | V115-L120 HydrophobicContact CG1-CB 3.97Å; V115-L120 PolarHBondContact O-N 3.37Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 HydrophobicContact CB-CG 4.32Å; L118-L120 PolarHBondContact O-N 3.45Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; L120-F160 HydrophobicContact CB-CE2 4.48Å; L120-F160 HydrophobicContact CB-CZ 4.41Å; L120-F160 HydrophobicContact CD2-CD2 4.22Å; L120-F160 HydrophobicContact CD2-CE2 3.87Å |
| 121 | A | 92.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -134.5 | 140.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | V115 F116 G119 S123 H126 A127 L130 | V115-A121 HydrophobicContact CG1-CB 4.1Å; F116-A121 WeakPolarHBondContact CD2-O 3.5Å; G119-A121 PolarHBondContact O-N 3.11Å; A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 3.45Å; A121-H126 HydrophobicContact CB-CB 4.39Å; A121-A127 HydrophobicContact CB-CB 3.74Å; A121-L130 HydrophobicContact CB-CD1 4.03Å |
| 122 | K | 91.9 | Very high | 93.4 | Very high | 195 Ų | 195 | 52.9 Ų | 52.9 | 85% | 0.848 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -67.1 | -23.7 | 178.1 | -59.6 | -174.8 | 178.2 | -173.9 | 0 | 114.5 | ||
| 123 | S | 92.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -150.9 | 157.6 | -176.6 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | A121 H125 H126 A127 | A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 3.45Å; S123-H125 VanDerWaalsContact C-N 3.26Å; S123-H125 PolarHBondContact O-N 3.37Å; S123-H125 PolarHBondContact OG-N 3.5Å; S123-H126 WeakPolarHBondContact O-CA 3.4Å; S123-H126 WeakPolarHBondContact O-CB 2.86Å; S123-H126 PolarHBondContact O-N 3.03Å; S123-H126 VanDerWaalsContact O-N 3.11Å; S123-A127 PolarHBondContact O-N 3.01Å |
| 124 | I | 92.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -32.6 | 177.9 | -59.1 | 179.7 | 0 | 0 | 0 | 111.8 | E35 Y36 Q112 F116 R128 | E35-I124 WeakPolarHBondContact O-CD1 3.12Å; Y36-I124 VanDerWaalsContact C-CG2 3.47Å; Y36-I124 WeakPolarHBondContact O-CG2 3.47Å; Q112-I124 HydrophobicContact CG-CG2 4.02Å; Q112-I124 PolarHBondContact NE2-O 3.34Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 3.96Å; F116-I124 HydrophobicContact CD1-CG1 3.51Å; F116-I124 HydrophobicContact CD2-CG1 3.99Å; F116-I124 HydrophobicContact CE1-CD1 4.12Å; F116-I124 HydrophobicContact CE1-CG1 3.88Å; F116-I124 HydrophobicContact CE2-CG1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.49Å; F116-I124 HydrophobicContact CG-CG1 3.56Å; F116-I124 HydrophobicContact CZ-CG1 4.28Å; I124-R128 PolarHBondContact O-N 3.37Å |
| 125 | H | 92.7 | Very high | 93.3 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 173.5 | -60.4 | -64.9 | 0 | 0 | 0 | 111.3 | S123 R128 V129 | S123-H125 VanDerWaalsContact C-N 3.26Å; S123-H125 PolarHBondContact O-N 3.37Å; S123-H125 PolarHBondContact OG-N 3.5Å; H125-R128 WeakPolarHBondContact O-CB 3.45Å; H125-R128 PolarHBondContact O-N 2.98Å; H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.28Å |
| 126 | H | 93.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.2 | -175.1 | -168.3 | 0 | 0 | 0 | 111 | A121 S123 R128 V129 L130 | A121-H126 HydrophobicContact CB-CB 4.39Å; S123-H126 WeakPolarHBondContact O-CA 3.4Å; S123-H126 WeakPolarHBondContact O-CB 2.86Å; S123-H126 PolarHBondContact O-N 3.03Å; S123-H126 VanDerWaalsContact O-N 3.11Å; H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.44Å; H126-V129 PolarHBondContact O-N 3.24Å; H126-V129 VanDerWaalsContact O-N 3.14Å; H126-L130 WeakPolarHBondContact O-CG 3.47Å; H126-L130 PolarHBondContact O-N 2.84Å |
| 127 | A | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.3 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q112 V115 A121 S123 V129 L130 I131 | Q112-A127 HydrophobicContact CG-CB 4.48Å; Q112-A127 WeakPolarHBondContact O-CB 3.34Å; V115-A127 HydrophobicContact CB-CB 4.21Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; A121-A127 HydrophobicContact CB-CB 3.74Å; S123-A127 PolarHBondContact O-N 3.01Å; A127-V129 PolarHBondContact O-N 3.2Å; A127-L130 PolarHBondContact O-N 3.25Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 2.87Å |
| 128 | R | 94 | Very high | 93.4 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 178.7 | -165 | 175.2 | -175.2 | 111 | -0.3 | 112.3 | G37 E43 Q112 I124 H125 H126 R132 P146 | G37-R128 PolarHBondContact O-NH1 3.34Å; E43-R128 IonicContact OE1-CZ 3.51Å; E43-R128 IonicContact OE1-NH1 2.76Å; E43-R128 PolarHBondContact OE1-NH1 3.14Å; E43-R128 IonicContact OE1-NH2 3.53Å; E43-R128 PolarHBondContact OE1-NH2 3.18Å; E43-R128 IonicContact OE2-NH1 3.99Å; E43-R128 IonicContact OE2-NH2 3.85Å; Q112-R128 HydrophobicContact CG-CB 4.39Å; I124-R128 PolarHBondContact O-N 3.37Å; H125-R128 WeakPolarHBondContact O-CB 3.45Å; H125-R128 PolarHBondContact O-N 2.98Å; H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.44Å; R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 VanDerWaalsContact O-CG 3.3Å; R128-R132 WeakPolarHBondContact O-CG 3.3Å; R128-R132 PolarHBondContact O-N 3.38Å; R128-P146 HydrophobicContact CG-CB 4.15Å; R128-P146 HydrophobicContact CG-CG 3.76Å |
| 129 | V | 94.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | H125 H126 A127 I131 R132 Q133 | H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.28Å; H126-V129 PolarHBondContact O-N 3.24Å; H126-V129 VanDerWaalsContact O-N 3.14Å; A127-V129 PolarHBondContact O-N 3.2Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.17Å; V129-R132 PolarHBondContact O-N 3.22Å; V129-R132 VanDerWaalsContact O-N 3.17Å; V129-Q133 VanDerWaalsContact CG1-CD 3.49Å; V129-Q133 HydrophobicContact CG1-CG 4.18Å; V129-Q133 WeakPolarHBondContact O-CB 3.47Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 2.7Å |
| 130 | L | 94.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 178.6 | -71.6 | 173.2 | 0 | 0 | 0 | 112.5 | A121 H126 A127 Q133 R134 H135 I136 F160 Y166 | A121-L130 HydrophobicContact CB-CD1 4.03Å; H126-L130 WeakPolarHBondContact O-CG 3.47Å; H126-L130 PolarHBondContact O-N 2.84Å; A127-L130 PolarHBondContact O-N 3.25Å; L130-Q133 PolarHBondContact O-N 3.47Å; L130-R134 PolarHBondContact O-N 3.37Å; L130-H135 HydrophobicContact CB-CB 4.44Å; L130-H135 HydrophobicContact CD2-CB 4.22Å; L130-H135 WeakPolarHBondContact O-CB 3.36Å; L130-H135 PolarHBondContact O-N 3.33Å; L130-I136 HydrophobicContact CB-CD1 4.01Å; L130-I136 HydrophobicContact CB-CG1 4.2Å; L130-F160 HydrophobicContact CD1-CE1 4.31Å; L130-Y166 HydrophobicContact CD2-CD2 4.28Å; L130-Y166 HydrophobicContact CD2-CE2 3.95Å |
| 131 | I | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 175.6 | -66.3 | 166.7 | 0 | 0 | 0 | 110 | L111 Q112 V115 A127 V129 Q133 R134 I136 N144 P146 | L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.09Å; L111-I131 HydrophobicContact CD2-CG1 4.25Å; L111-I131 HydrophobicContact CD2-CG2 4.23Å; L111-I131 HydrophobicContact CG-CD1 3.84Å; L111-I131 HydrophobicContact CG-CG1 4.39Å; Q112-I131 HydrophobicContact CB-CD1 4.29Å; V115-I131 HydrophobicContact CG2-CD1 4.37Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 2.87Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.17Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.05Å; I131-R134 PolarHBondContact O-N 2.76Å; I131-I136 HydrophobicContact CG1-CB 4.35Å; I131-I136 HydrophobicContact CG1-CD1 3.64Å; I131-I136 HydrophobicContact CG1-CG1 4.23Å; I131-N144 WeakPolarHBondContact O-CA 3.37Å; I131-P146 HydrophobicContact CB-CG 4.4Å; I131-P146 HydrophobicContact CD1-CB 4.4Å; I131-P146 HydrophobicContact CG2-CG 4.05Å |
| 132 | R | 94.9 | Very high | 93.5 | Very high | 150 Ų | 150 | 75.6 Ų | 75.6 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.4 | -35.5 | -177.4 | -74.9 | -67 | -61.9 | 163.1 | -2.7 | 112.8 | R128 V129 R134 N144 P146 | R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 VanDerWaalsContact O-CG 3.3Å; R128-R132 WeakPolarHBondContact O-CG 3.3Å; R128-R132 PolarHBondContact O-N 3.38Å; V129-R132 PolarHBondContact O-N 3.22Å; V129-R132 VanDerWaalsContact O-N 3.17Å; R132-R134 PolarHBondContact O-N 3.37Å; R132-N144 WeakPolarHBondContact CD-O 3.46Å; R132-P146 HydrophobicContact CG-CG 4.1Å |
| 133 | Q | 93.3 | Very high | 93.7 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.3 | 176.4 | -70 | 176.8 | -12.4 | 0 | 0 | 113.7 | V129 L130 I131 H135 | V129-Q133 VanDerWaalsContact CG1-CD 3.49Å; V129-Q133 HydrophobicContact CG1-CG 4.18Å; V129-Q133 WeakPolarHBondContact O-CB 3.47Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 2.7Å; L130-Q133 PolarHBondContact O-N 3.47Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.05Å; Q133-H135 VanDerWaalsContact CB-CD2 3.45Å; Q133-H135 WeakPolarHBondContact CB-CD2 3.34Å; Q133-H135 PolarHBondContact OE1-NE2 3.06Å |
| 134 | R | 93.1 | Very high | 93.8 | Very high | 164 Ų | 164 | 67.4 Ų | 67.4 | 62% | 0.619 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 30.4 | 174.8 | -51.1 | -178.1 | 178.3 | -139.6 | 2.7 | 114 | L130 I131 R132 V142 N144 | L130-R134 PolarHBondContact O-N 3.37Å; I131-R134 PolarHBondContact O-N 2.76Å; R132-R134 PolarHBondContact O-N 3.37Å; R134-V142 HydrophobicContact CB-CG1 3.83Å; R134-N144 HydrophobicContact CG-CB 4.17Å |
| 135 | H | 93.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 71 Ų | 71 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | trans | -84.7 | -19.3 | 177.4 | -65.5 | -57.7 | 0 | 0 | 0 | 113.5 | L130 Q133 F160 S161 S164 Y166 | L130-H135 HydrophobicContact CB-CB 4.44Å; L130-H135 HydrophobicContact CD2-CB 4.22Å; L130-H135 WeakPolarHBondContact O-CB 3.36Å; L130-H135 PolarHBondContact O-N 3.33Å; Q133-H135 VanDerWaalsContact CB-CD2 3.45Å; Q133-H135 WeakPolarHBondContact CB-CD2 3.34Å; Q133-H135 PolarHBondContact OE1-NE2 3.06Å; H135-F160 HydrophobicContact CB-CD1 4.35Å; H135-F160 CarbonylContact O-C 3.54Å; H135-F160 WeakPolarHBondContact O-CA 3.24Å; H135-S161 PolarHBondContact O-N 3.06Å; H135-S164 PolarHBondContact ND1-OG 2.85Å; H135-Y166 HydrophobicContact CB-CD2 4.46Å; H135-Y166 AromaticContact ND1-CD2 3.92Å | ||
| 136 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.1 | -172.1 | -54.4 | -165.8 | 0 | 0 | 0 | 110.8 | V115 L130 I131 V143 I158 | V115-I136 HydrophobicContact CB-CD1 4.05Å; V115-I136 HydrophobicContact CG1-CD1 3.35Å; V115-I136 HydrophobicContact CG2-CD1 3.48Å; V115-I136 VanDerWaalsContact CG2-CD1 3.48Å; V115-I136 HydrophobicContact CG2-CG2 4.03Å; L130-I136 HydrophobicContact CB-CD1 4.01Å; L130-I136 HydrophobicContact CB-CG1 4.2Å; I131-I136 HydrophobicContact CG1-CB 4.35Å; I131-I136 HydrophobicContact CG1-CD1 3.64Å; I131-I136 HydrophobicContact CG1-CG1 4.23Å; I136-V143 PolarHBondContact O-N 3.24Å; I136-V143 VanDerWaalsContact O-N 3.15Å; I136-I158 HydrophobicContact CG2-CG2 4.07Å |
| 137 | R | 94.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 154.2 | 171.7 | 63.4 | 174.7 | 177.1 | 132.7 | -0.6 | 111.1 | R139 Q141 D159 F160 | R137-R139 WeakPolarHBondContact CD-O 3.5Å; R137-R139 PolarHBondContact NH1-O 3.39Å; R137-Q141 CarbonylContact C-O 3.56Å; R137-Q141 WeakPolarHBondContact CA-O 3.46Å; R137-Q141 WeakPolarHBondContact CB-O 3.48Å; R137-D159 WeakPolarHBondContact CG-O 3.09Å; R137-D159 PolarHBondContact N-O 3.41Å; R137-D159 IonicContact NH2-OD2 3.35Å; R137-D159 PolarHBondContact NH2-OD2 3.39Å; R137-D159 PolarHBondContact O-N 3.5Å; R137-F160 PolarHBondContact NE-O 2.92Å |
| 138 | V | 94.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 68.6 Ų | 68.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.5 | 166.3 | -176.6 | 0 | 0 | 0 | 0 | 106.2 | L111 K140 Q141 V143 F148 I158 | L111-V138 HydrophobicContact CD1-CG2 3.82Å; L111-V138 HydrophobicContact CD2-CG2 4.38Å; V138-K140 PolarHBondContact O-N 3.34Å; V138-Q141 PolarHBondContact N-O 2.95Å; V138-Q141 PolarHBondContact O-N 3.13Å; V138-Q141 VanDerWaalsContact O-N 3.14Å; V138-V143 HydrophobicContact CB-CG2 4.11Å; V138-V143 HydrophobicContact CG2-CB 4.39Å; V138-V143 HydrophobicContact CG2-CG2 3.83Å; V138-F148 HydrophobicContact CG1-CE1 4.39Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.11Å; V138-I158 HydrophobicContact CG2-CG1 4.42Å |
| 139 | R | 92.1 | Very high | 93.9 | Very high | 122 Ų | 122 | 69.3 Ų | 69.3 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -111.7 | -168 | -63.4 | 177.9 | 175.1 | -115.2 | -4.3 | 111.8 | R137 D153 S154 H157 | R137-R139 WeakPolarHBondContact CD-O 3.5Å; R137-R139 PolarHBondContact NH1-O 3.39Å; R139-D153 PolarHBondContact NH2-O 2.82Å; R139-S154 PolarHBondContact NE-OG 2.97Å; R139-H157 HydrophobicContact CB-CB 4.29Å; R139-H157 HydrophobicContact CG-CB 3.51Å; R139-H157 PolarHBondContact N-O 2.93Å |
| 140 | K | 91 | Very high | 93.8 | Very high | 202 Ų | 202 | 66.1 Ų | 66.1 | 88% | 0.878 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13 | -179.5 | -63.4 | -175.3 | 179.3 | -177.6 | 0 | 112.7 | V138 | V138-K140 PolarHBondContact O-N 3.34Š|
| 141 | Q | 93.2 | Very high | 93.8 | Very high | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.3 | -170.5 | -177.1 | 57.8 | 41.3 | 0 | 0 | 111.6 | R137 V138 | R137-Q141 CarbonylContact C-O 3.56Å; R137-Q141 WeakPolarHBondContact CA-O 3.46Å; R137-Q141 WeakPolarHBondContact CB-O 3.48Å; V138-Q141 PolarHBondContact N-O 2.95Å; V138-Q141 PolarHBondContact O-N 3.13Å; V138-Q141 VanDerWaalsContact O-N 3.14Å |
| 142 | V | 93.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 75.2 Ų | 75.2 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.8 | 171.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | R134 S161 | R134-V142 HydrophobicContact CB-CG1 3.83Å; V142-S161 WeakPolarHBondContact CG2-OG 3.38Å |
| 143 | V | 95.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | trans | -116.4 | 124.3 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L111 I136 V138 F148 | L111-V143 HydrophobicContact CD2-CB 3.88Å; L111-V143 HydrophobicContact CD2-CG1 3.63Å; I136-V143 PolarHBondContact O-N 3.24Å; I136-V143 VanDerWaalsContact O-N 3.15Å; V138-V143 HydrophobicContact CB-CG2 4.11Å; V138-V143 HydrophobicContact CG2-CB 4.39Å; V138-V143 HydrophobicContact CG2-CG2 3.83Å; V143-F148 HydrophobicContact CG1-CB 3.86Å; V143-F148 HydrophobicContact CG1-CD1 4.29Å; V143-F148 HydrophobicContact CG1-CD2 4.37Å; V143-F148 HydrophobicContact CG1-CG 3.93Å | ||
| 144 | N | 95 | Very high | 93.5 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | trans | -111.2 | 10.5 | -176.5 | 68.4 | -19 | 0 | 0 | 0 | 114.2 | I131 R132 R134 | I131-N144 WeakPolarHBondContact O-CA 3.37Å; R132-N144 WeakPolarHBondContact CD-O 3.46Å; R134-N144 HydrophobicContact CG-CB 4.17Å | ||
| 145 | I | 94.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 63.5 Ų | 63.5 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | trans | -110.5 | 111.5 | -179.1 | -60.3 | 173.9 | 0 | 0 | 0 | 109 | S147 F148 | I145-S147 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-CB 3.26Å; I145-F148 WeakPolarHBondContact O-CB 3.44Å; I145-F148 PolarHBondContact O-N 3.25Å; I145-F148 VanDerWaalsContact O-N 3.1Å | ||
| 146 | P | 94.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.8 | 178.3 | -24.3 | 33.9 | 0 | 0 | 0 | 114.1 | Q112 R128 I131 R132 F148 | Q112-P146 HydrophobicContact CB-CB 4.13Å; Q112-P146 PolarHBondContact N-O 2.86Å; R128-P146 HydrophobicContact CG-CB 4.15Å; R128-P146 HydrophobicContact CG-CG 3.76Å; I131-P146 HydrophobicContact CB-CG 4.4Å; I131-P146 HydrophobicContact CD1-CB 4.4Å; I131-P146 HydrophobicContact CG2-CG 4.05Å; R132-P146 HydrophobicContact CG-CG 4.1Å; P146-F148 PolarHBondContact O-N 3.08Å |
| 147 | S | 93.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 5.1 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 113.8 | I145 V149 | I145-S147 PolarHBondContact O-N 3.42Å; S147-V149 PolarHBondContact O-N 3.33Å |
| 148 | F | 94.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.6 | 176.3 | 179 | -105 | 0 | 0 | 0 | 110 | R110 L111 V138 V143 I145 P146 V150 | R110-F148 CarbonylContact C-O 3.5Å; R110-F148 WeakPolarHBondContact CA-O 3.36Å; L111-F148 HydrophobicContact CB-CB 4.05Å; L111-F148 HydrophobicContact CB-CD1 4.24Å; L111-F148 HydrophobicContact CD2-CB 4.34Å; L111-F148 HydrophobicContact CD2-CD1 4.36Å; L111-F148 PolarHBondContact N-O 3.06Å; V138-F148 HydrophobicContact CG1-CE1 4.39Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.11Å; V143-F148 HydrophobicContact CG1-CB 3.86Å; V143-F148 HydrophobicContact CG1-CD1 4.29Å; V143-F148 HydrophobicContact CG1-CD2 4.37Å; V143-F148 HydrophobicContact CG1-CG 3.93Å; I145-F148 VanDerWaalsContact O-CB 3.26Å; I145-F148 WeakPolarHBondContact O-CB 3.44Å; I145-F148 PolarHBondContact O-N 3.25Å; I145-F148 VanDerWaalsContact O-N 3.1Å; P146-F148 PolarHBondContact O-N 3.08Å; F148-V150 HydrophobicContact CD1-CG2 4.04Å; F148-V150 HydrophobicContact CE1-CG2 4.29Å |
| 149 | V | 93.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 116.2 | -179.9 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | I85 R109 S147 | I85-V149 HydrophobicContact CB-CG1 4.44Å; I85-V149 HydrophobicContact CG1-CG1 4.34Å; I85-V149 HydrophobicContact CG2-CG1 3.32Å; R109-V149 HydrophobicContact CB-CG1 4.27Å; S147-V149 PolarHBondContact O-N 3.33Å |
| 150 | V | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 120.7 | -175.8 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | R109 L111 Q114 F148 Q155 I158 | R109-V150 PolarHBondContact NE-O 3.46Å; R109-V150 PolarHBondContact NH2-O 2.86Å; R109-V150 PolarHBondContact O-N 3.39Å; L111-V150 HydrophobicContact CB-CG2 3.98Å; L111-V150 HydrophobicContact CD1-CG2 3.76Å; L111-V150 HydrophobicContact CG-CG2 4.5Å; Q114-V150 HydrophobicContact CB-CG2 4.39Å; Q114-V150 HydrophobicContact CG-CB 4.2Å; Q114-V150 HydrophobicContact CG-CG2 4.17Å; F148-V150 HydrophobicContact CD1-CG2 4.04Å; F148-V150 HydrophobicContact CE1-CG2 4.29Å; V150-Q155 HydrophobicContact CG1-CB 4.05Å; V150-I158 HydrophobicContact CG1-CD1 3.8Å; V150-I158 HydrophobicContact CG2-CD1 4.12Å |
| 151 | R | 93.6 | Very high | 93.3 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 50% | 0.502 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 150.3 | 170.2 | -61.8 | -178.8 | -179.9 | 175.7 | 1.5 | 110.8 | R84 D153 S154 Q155 | R84-R151 WeakPolarHBondContact O-CA 3.38Å; R151-D153 VanDerWaalsContact C-N 3.31Å; R151-D153 PolarHBondContact O-N 3.29Å; R151-S154 PolarHBondContact O-N 3.19Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.15Å |
| 152 | L | 91.6 | Very high | 93 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.9 | -47.8 | 178.9 | -70.8 | 172.1 | 0 | 0 | 0 | 112 | V83 R84 S154 Q155 | V83-L152 WeakPolarHBondContact O-CD1 3.4Å; R84-L152 PolarHBondContact O-N 2.98Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.11Å; L152-Q155 VanDerWaalsContact O-CB 3.25Å; L152-Q155 WeakPolarHBondContact O-CB 3.34Å; L152-Q155 PolarHBondContact O-N 3.03Å |
| 153 | D | 92.2 | Very high | 92.7 | Very high | 103 Ų | 103 | 71.3 Ų | 71.3 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -25.7 | -179.7 | -43 | -29 | 0 | 0 | 0 | 114.1 | R139 R151 H157 | R139-D153 PolarHBondContact NH2-O 2.82Å; R151-D153 VanDerWaalsContact C-N 3.31Å; R151-D153 PolarHBondContact O-N 3.29Å; D153-H157 PolarHBondContact O-CE1 3.27Å; D153-H157 PolarHBondContact O-ND1 3.5Å; D153-H157 VanDerWaalsContact O-ND1 3.07Å |
| 154 | S | 92.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 70.7 Ų | 70.7 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -95.3 | -11.1 | -178.6 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | R139 R151 L152 K156 H157 | R139-S154 PolarHBondContact NE-OG 2.97Å; R151-S154 PolarHBondContact O-N 3.19Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.11Å; S154-K156 PolarHBondContact O-N 3.4Å; S154-H157 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact O-N 3.13Å |
| 155 | Q | 91.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 70.8 Ų | 70.8 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | -176.7 | -174 | 176.3 | -28.2 | 0 | 0 | 112.2 | Q114 V150 R151 L152 H157 I158 | Q114-Q155 VanDerWaalsContact OE1-CD 3.25Å; V150-Q155 HydrophobicContact CG1-CB 4.05Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.15Å; L152-Q155 VanDerWaalsContact O-CB 3.25Å; L152-Q155 WeakPolarHBondContact O-CB 3.34Å; L152-Q155 PolarHBondContact O-N 3.03Å; Q155-H157 PolarHBondContact O-N 3.44Å; Q155-H157 VanDerWaalsContact O-N 3.17Å; Q155-I158 WeakPolarHBondContact O-CG1 3.23Å; Q155-I158 PolarHBondContact O-N 2.86Å |
| 156 | K | 92.1 | Very high | 91.4 | Very high | 195 Ų | 195 | 73.2 Ų | 73.2 | 85% | 0.848 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.4 | 176.7 | -60.1 | -177.7 | -178.1 | -178.6 | 0 | 113.6 | S154 | S154-K156 PolarHBondContact O-N 3.4Š|
| 157 | H | 92.8 | Very high | 90.9 | Very high | 85 Ų | 85 | 74 Ų | 74 | 39% | 0.394 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 24.6 | -173.5 | -54.9 | 96.5 | 0 | 0 | 0 | 112 | R139 D153 S154 Q155 | R139-H157 HydrophobicContact CB-CB 4.29Å; R139-H157 HydrophobicContact CG-CB 3.51Å; R139-H157 PolarHBondContact N-O 2.93Å; D153-H157 PolarHBondContact O-CE1 3.27Å; D153-H157 PolarHBondContact O-ND1 3.5Å; D153-H157 VanDerWaalsContact O-ND1 3.07Å; S154-H157 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact O-N 3.13Å; Q155-H157 PolarHBondContact O-N 3.44Å; Q155-H157 VanDerWaalsContact O-N 3.17Å |
| 158 | I | 94.1 | Very high | 90.5 | Very high | 14 Ų | 14 | 75.9 Ų | 75.9 | 7% | 0.072 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.3 | 173.5 | -61.1 | 172.7 | 0 | 0 | 0 | 107.8 | L111 Q114 V115 L118 L120 I136 V138 V150 Q155 | L111-I158 HydrophobicContact CD1-CD1 4.02Å; L111-I158 HydrophobicContact CD1-CG1 4.37Å; L111-I158 HydrophobicContact CD1-CG2 4.33Å; Q114-I158 HydrophobicContact CB-CD1 4.02Å; V115-I158 HydrophobicContact CG2-CG2 3.96Å; L118-I158 HydrophobicContact CD1-CB 3.79Å; L118-I158 HydrophobicContact CD1-CD1 3.98Å; L118-I158 HydrophobicContact CD1-CG1 4.43Å; L118-I158 HydrophobicContact CD1-CG2 4.06Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; I136-I158 HydrophobicContact CG2-CG2 4.07Å; V138-I158 HydrophobicContact CG2-CG1 4.42Å; V150-I158 HydrophobicContact CG1-CD1 3.8Å; V150-I158 HydrophobicContact CG2-CD1 4.12Å; Q155-I158 WeakPolarHBondContact O-CG1 3.23Å; Q155-I158 PolarHBondContact O-N 2.86Å |
| 159 | D | 93.3 | Very high | 90.1 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 172.9 | -179.1 | -170.7 | 17.1 | 0 | 0 | 0 | 110 | R137 | R137-D159 WeakPolarHBondContact CG-O 3.09Å; R137-D159 PolarHBondContact N-O 3.41Å; R137-D159 IonicContact NH2-OD2 3.35Å; R137-D159 PolarHBondContact NH2-OD2 3.39Å; R137-D159 PolarHBondContact O-N 3.5Å |
| 160 | F | 93.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 145.9 | 167 | -70.2 | -70.7 | 0 | 0 | 0 | 111.1 | L120 L130 H135 R137 Y166 | L120-F160 HydrophobicContact CB-CE2 4.48Å; L120-F160 HydrophobicContact CB-CZ 4.41Å; L120-F160 HydrophobicContact CD2-CD2 4.22Å; L120-F160 HydrophobicContact CD2-CE2 3.87Å; L130-F160 HydrophobicContact CD1-CE1 4.31Å; H135-F160 HydrophobicContact CB-CD1 4.35Å; H135-F160 CarbonylContact O-C 3.54Å; H135-F160 WeakPolarHBondContact O-CA 3.24Å; R137-F160 PolarHBondContact NE-O 2.92Å; F160-Y166 HydrophobicContact CE1-CD2 4.42Å; F160-Y166 HydrophobicContact CE1-CG 4.37Å |
| 161 | S | 91.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | trans | -68.9 | 136.5 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | H135 V142 R163 S164 | H135-S161 PolarHBondContact O-N 3.06Å; V142-S161 WeakPolarHBondContact CG2-OG 3.38Å; S161-R163 PolarHBondContact O-N 3.28Å; S161-R163 VanDerWaalsContact O-N 3.11Å; S161-R163 PolarHBondContact OG-N 3.24Å; S161-S164 WeakPolarHBondContact O-CA 3.47Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.08Å | ||
| 162 | L | 88.8 | Confident | 88.9 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.4 | 174.5 | -58.2 | 175 | 0 | 0 | 0 | 112.5 | S164 G169 | L162-S164 VanDerWaalsContact C-N 3.33Å; L162-G169 PolarHBondContact O-N 2.96Å |
| 163 | R | 86.3 | Confident | 88.7 | Confident | 229 Ų | 229 | 84.1 Ų | 84.1 | 86% | 0.864 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11.2 | 177.7 | -158.9 | 174.8 | 173.4 | -170.9 | -1 | 112.8 | S161 | S161-R163 PolarHBondContact O-N 3.28Å; S161-R163 VanDerWaalsContact O-N 3.11Å; S161-R163 PolarHBondContact OG-N 3.24Å |
| 164 | S | 86.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 4% | 0.035 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -74.9 | 143.8 | 178 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | H135 S161 L162 Y166 G167 G169 | H135-S164 PolarHBondContact ND1-OG 2.85Å; S161-S164 WeakPolarHBondContact O-CA 3.47Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.08Å; L162-S164 VanDerWaalsContact C-N 3.33Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact O-N 3.12Å; S164-Y166 PolarHBondContact OG-N 3.09Å; S164-G167 PolarHBondContact O-N 2.94Å; S164-G169 VanDerWaalsContact O-CA 3.3Å; S164-G169 WeakPolarHBondContact O-CA 3.43Å; S164-G169 PolarHBondContact O-N 2.95Å |
| 165 | P | 87.4 | Confident | 88.2 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -53.3 | -30.7 | 169.1 | -24.9 | 33.7 | 0 | 0 | 0 | 113.8 | G167 | P165-G167 VanDerWaalsContact C-N 3.34Š|
| 166 | Y | 84.1 | Confident | 88 | Confident | 146 Ų | 146 | 92.3 Ų | 92.3 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -79.5 | -14.4 | 177.9 | -59.7 | -65.8 | 0 | 0 | 0 | 114 | L130 H135 F160 S164 | L130-Y166 HydrophobicContact CD2-CD2 4.28Å; L130-Y166 HydrophobicContact CD2-CE2 3.95Å; H135-Y166 HydrophobicContact CB-CD2 4.46Å; H135-Y166 AromaticContact ND1-CD2 3.92Å; F160-Y166 HydrophobicContact CE1-CD2 4.42Å; F160-Y166 HydrophobicContact CE1-CG 4.37Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact O-N 3.12Å; S164-Y166 PolarHBondContact OG-N 3.09Å |
| 167 | G | 83.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 89.2 Ų | 89.2 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -109.6 | 25 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S164 P165 | S164-G167 PolarHBondContact O-N 2.94Å; P165-G167 VanDerWaalsContact C-N 3.34Å |
| 168 | G | 83.5 | Confident | 87.6 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 81% | 0.814 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 169 | G | 85.9 | Confident | 87.3 | Confident | 17 Ų | 17 | 91.8 Ų | 91.8 | 18% | 0.175 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L162 S164 | L162-G169 PolarHBondContact O-N 2.96Å; S164-G169 VanDerWaalsContact O-CA 3.3Å; S164-G169 WeakPolarHBondContact O-CA 3.43Å; S164-G169 PolarHBondContact O-N 2.95Å |
| 170 | R | 85.3 | Confident | 87 | Confident | 176 Ų | 176 | 95.5 Ų | 95.5 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 136.7 | 178.7 | -170.5 | 179.9 | -171.1 | 171.6 | 11.5 | 111.5 | R176 | R170-R176 VanDerWaalsContact CZ-NH1 3.34Š|
| 171 | P | 86.2 | Confident | 86.6 | Confident | 63 Ų | 63 | 100.3 Ų | 100.3 | 41% | 0.409 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 142.2 | 173.3 | -28.8 | 35.4 | 0 | 0 | 0 | 113.2 | K175 R176 | P171-K175 HydrophobicContact CB-CD 4.32Å; P171-K175 HydrophobicContact CB-CG 4.49Å; P171-R176 HydrophobicContact CB-CG 4.18Å; P171-R176 WeakPolarHBondContact O-CD 3.42Å; P171-R176 WeakPolarHBondContact O-CG 3.43Å |
| 172 | G | 85.3 | Confident | 85.7 | Confident | 34 Ų | 34 | 102.2 Ų | 102.2 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 160.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V174 K175 R176 | G172-V174 VanDerWaalsContact C-N 3.3Å; G172-V174 PolarHBondContact O-N 3.15Å; G172-K175 PolarHBondContact O-N 2.94Å; G172-R176 WeakPolarHBondContact O-CG 3.29Å; G172-R176 PolarHBondContact O-N 3.05Å |
| 173 | R | 86.8 | Confident | 84.8 | Confident | 221 Ų | 221 | 103.7 Ų | 103.7 | 83% | 0.834 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -51.8 | -44.3 | -176.6 | -176.6 | 179.4 | 179.8 | 169.2 | 0.5 | 113.2 | R176 K177 | R173-R176 PolarHBondContact O-N 3.45Å; R173-K177 WeakPolarHBondContact O-CB 3.42Å; R173-K177 PolarHBondContact O-N 3.07Å |
| 174 | V | 88 | Confident | 83.4 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 65% | 0.648 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -48.9 | -178.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | G172 R176 K177 N178 | G172-V174 VanDerWaalsContact C-N 3.3Å; G172-V174 PolarHBondContact O-N 3.15Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.22Å; V174-K177 PolarHBondContact O-N 2.72Å; V174-K177 VanDerWaalsContact O-N 3.12Å; V174-N178 PolarHBondContact O-N 2.98Å; V174-N178 PolarHBondContact O-OD1 3.4Å |
| 175 | K | 86.4 | Confident | 81.7 | Confident | 152 Ų | 152 | 98.8 Ų | 98.8 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 176.7 | -172.3 | 168.6 | -179.6 | 177.5 | 0 | 111.4 | P171 G172 N178 A179 | P171-K175 HydrophobicContact CB-CD 4.32Å; P171-K175 HydrophobicContact CB-CG 4.49Å; G172-K175 PolarHBondContact O-N 2.94Å; K175-N178 PolarHBondContact O-N 3.45Å; K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.35Å |
| 176 | R | 87.3 | Confident | 79.8 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 35% | 0.351 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 174.7 | -70.4 | 177.4 | 58.1 | -148 | -7.8 | 113.1 | R170 P171 G172 R173 V174 K180 | R170-R176 VanDerWaalsContact CZ-NH1 3.34Å; P171-R176 HydrophobicContact CB-CG 4.18Å; P171-R176 WeakPolarHBondContact O-CD 3.42Å; P171-R176 WeakPolarHBondContact O-CG 3.43Å; G172-R176 WeakPolarHBondContact O-CG 3.29Å; G172-R176 PolarHBondContact O-N 3.05Å; R173-R176 PolarHBondContact O-N 3.45Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.22Å; R176-K180 WeakPolarHBondContact O-CG 3.29Å; R176-K180 PolarHBondContact O-N 2.9Å; R176-K180 VanDerWaalsContact O-N 3.11Å |
| 177 | K | 89 | Confident | 77.8 | Confident | 129 Ų | 129 | 96.8 Ų | 96.8 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -42.2 | 176.6 | -173.3 | 179.9 | 179.5 | -178.1 | 0 | 110.9 | R173 V174 K180 K181 | R173-K177 WeakPolarHBondContact O-CB 3.42Å; R173-K177 PolarHBondContact O-N 3.07Å; V174-K177 PolarHBondContact O-N 2.72Å; V174-K177 VanDerWaalsContact O-N 3.12Å; K177-K180 PolarHBondContact O-N 3.47Å; K177-K181 PolarHBondContact O-N 2.9Å |
| 178 | N | 88.6 | Confident | 75.8 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | 178.6 | -68.5 | 1.8 | 0 | 0 | 0 | 111.8 | V174 K175 K180 K181 G182 | V174-N178 PolarHBondContact O-N 2.98Å; V174-N178 PolarHBondContact O-OD1 3.4Å; K175-N178 PolarHBondContact O-N 3.45Å; N178-K180 VanDerWaalsContact C-N 3.34Å; N178-K180 PolarHBondContact O-N 3.45Å; N178-K181 PolarHBondContact O-N 3.42Å; N178-G182 PolarHBondContact O-N 3.11Å |
| 179 | A | 87.7 | Confident | 73.9 | Confident | 55 Ų | 55 | 99.7 Ų | 99.7 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.4 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K175 G182 Q183 | K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.35Å; A179-G182 PolarHBondContact O-N 3.07Å; A179-Q183 PolarHBondContact O-N 2.95Å |
| 180 | K | 86.5 | Confident | 71.8 | Confident | 148 Ų | 148 | 106.5 Ų | 106.5 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.4 | -40.4 | 174.3 | -75.6 | -171.9 | 171.7 | -152.4 | 0 | 113 | R176 K177 N178 Q183 G184 | R176-K180 WeakPolarHBondContact O-CG 3.29Å; R176-K180 PolarHBondContact O-N 2.9Å; R176-K180 VanDerWaalsContact O-N 3.11Å; K177-K180 PolarHBondContact O-N 3.47Å; N178-K180 VanDerWaalsContact C-N 3.34Å; N178-K180 PolarHBondContact O-N 3.45Å; K180-Q183 PolarHBondContact O-N 2.9Å; K180-G184 PolarHBondContact O-N 3.12Å |
| 181 | K | 84.1 | Confident | 69.9 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.609 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 175.2 | -78.2 | -172 | 167.9 | -158 | 0 | 112.3 | K177 N178 Q183 G184 G185 | K177-K181 PolarHBondContact O-N 2.9Å; N178-K181 PolarHBondContact O-N 3.42Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-G184 PolarHBondContact O-N 3.49Å; K181-G185 PolarHBondContact O-N 3.44Å; K181-G185 VanDerWaalsContact O-N 3.16Å |
| 182 | G | 73.3 | Confident | 67.8 | Low | 50 Ų | 50 | 112.1 Ų | 112.1 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.8 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N178 A179 | N178-G182 PolarHBondContact O-N 3.11Å; A179-G182 PolarHBondContact O-N 3.07Å |
| 183 | Q | 69.5 | Low | 65.7 | Low | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.6 | -37.1 | 174.6 | -75 | 173.1 | -9.4 | 0 | 0 | 112.8 | A179 K180 K181 G185 A186 | A179-Q183 PolarHBondContact O-N 2.95Å; K180-Q183 PolarHBondContact O-N 2.9Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-G185 VanDerWaalsContact C-N 3.29Å; Q183-G185 PolarHBondContact O-N 3.16Å; Q183-A186 PolarHBondContact O-N 3.38Å |
| 184 | G | 56.8 | Low | 63.4 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.1 | -12.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K180 K181 | K180-G184 PolarHBondContact O-N 3.12Å; K181-G184 PolarHBondContact O-N 3.49Å |
| 185 | G | 49.9 | Very low | 61 | Low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -6.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | K181 Q183 | K181-G185 PolarHBondContact O-N 3.44Å; K181-G185 VanDerWaalsContact O-N 3.16Å; Q183-G185 VanDerWaalsContact C-N 3.29Å; Q183-G185 PolarHBondContact O-N 3.16Å |
| 186 | A | 47.4 | Very low | 59.7 | Low | 88 Ų | 88 | 123.2 Ų | 123.2 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.6 | 1.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q183 | Q183-A186 PolarHBondContact O-N 3.38Š|
| 187 | G | 42.7 | Very low | 58.3 | Low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -118.9 | 31.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 188 | G | 42 | Very low | 56.6 | Low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -141.9 | 31.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 189 | A | 43.3 | Very low | 54.7 | Low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -143.8 | 37 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 190 | D | 42 | Very low | 52.6 | Low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -149.9 | 39.6 | -177 | -120.7 | 8.2 | 0 | 0 | 0 | 112.6 | ||
| 191 | D | 44.8 | Very low | 50.3 | Low | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -152.8 | 41 | 176.2 | -102.8 | -24.8 | 0 | 0 | 0 | 113.8 | ||
| 192 | E | 41.9 | Very low | 47.9 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -145.6 | 57.2 | 164.7 | -72.5 | -168.7 | -179.5 | 0 | 0 | 112 | ||
| 193 | E | 42.4 | Very low | 46 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -151.1 | 86.8 | 152 | -79 | -161.7 | 176.1 | 0 | 0 | 109.1 | ||||
| 194 | E | 37.8 | Very low | 44 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | -174.4 | 131.9 | 141.3 | -105.2 | 174.2 | -174.3 | 0 | 0 | 110.2 | ||||
| 195 | D | 37.3 | Very low | 42.9 | Very low | 240 Ų | 240 | 139.3 Ų | 139.3 | 100% | 1.283 | 85% | 0.853 | S | S | * | * | trans | 77 | 0 | 174.9 | -61.8 | -26.8 | 0 | 0 | 0 | 121 |
Retrieved 195 of 195 residues in 42.4 ms
(Link to these results)