| 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 | 36.6 | Very low | 40.9 | Very low | 255 Ų | 255 | 139.3 Ų | 139.3 | 100% | 1.256 | 80% | 0.804 | S | S | * | * | 0 | 123 | 0 | -77.6 | 179.6 | 179.5 | 0 | 0 | 107.3 | |||||
| 2 | G | 37.5 | Very low | 42.3 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 113.8 | 62.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | D | 34.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 162.5 | 160.4 | -88.4 | -35.6 | 0 | 0 | 0 | 110.9 | ||||
| 4 | S | 39.3 | Very low | 44.8 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | 87.4 | 74.8 | 171.7 | 77.3 | 0 | 0 | 0 | 0 | 116.5 | F6 | S4-F6 PolarHBondContact O-N 3.33Å; S4-F6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | L | 40.2 | Very low | 46.6 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | trans | -63.2 | 107 | 148.5 | -77.1 | 161.2 | 0 | 0 | 0 | 107.6 | H7 | L5-H7 PolarHBondContact O-N 3.49Š| ||
| 6 | F | 41 | Very low | 49.1 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -42.2 | 121.7 | 178.7 | -67.4 | -92 | 0 | 0 | 0 | 112.3 | S4 N8 | S4-F6 PolarHBondContact O-N 3.33Å; S4-F6 VanDerWaalsContact O-N 3.15Å; F6-N8 PolarHBondContact O-N 3.39Å | ||
| 7 | H | 39.5 | Very low | 51.5 | Low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | trans | -66.6 | 96 | 165.8 | -165.9 | 68.5 | 0 | 0 | 0 | 107.5 | L5 S9 | L5-H7 PolarHBondContact O-N 3.49Å; H7-S9 PolarHBondContact CD2-OG 2.83Å; H7-S9 VanDerWaalsContact CD2-OG 3.22Å; H7-S9 PolarHBondContact O-N 3.35Å | ||
| 8 | N | 37.6 | Very low | 53.7 | Low | 148 Ų | 148 | 121.9 Ų | 121.9 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -78.3 | 68.7 | 176.8 | -123.6 | 19 | 0 | 0 | 0 | 109.4 | F6 | F6-N8 PolarHBondContact O-N 3.39Š| ||
| 9 | S | 45.8 | Very low | 55.9 | Low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | trans | -97.8 | 67.3 | 164.3 | 59.1 | 0 | 0 | 0 | 0 | 108.2 | H7 | H7-S9 PolarHBondContact CD2-OG 2.83Å; H7-S9 VanDerWaalsContact CD2-OG 3.22Å; H7-S9 PolarHBondContact O-N 3.35Å | ||
| 10 | S | 46.4 | Very low | 57.9 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | trans | -115.4 | 60.9 | 171.4 | 68.1 | 0 | 0 | 0 | 0 | 109.1 | A12 | S10-A12 PolarHBondContact O-N 3.09Š| ||
| 11 | A | 52 | Low | 59.7 | Low | 75 Ų | 75 | 110.7 Ų | 110.7 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | trans | -64.5 | 124.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | D15 | A11-D15 HydrophobicContact CB-CB 3.9Š| ||
| 12 | A | 56.9 | Low | 62.6 | Low | 49 Ų | 49 | 101.2 Ų | 101.2 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | trans | -58.2 | 152.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | S10 D14 D15 | S10-A12 PolarHBondContact O-N 3.09Å; A12-D14 PolarHBondContact O-N 3.2Å; A12-D15 PolarHBondContact N-OD2 3.42Å; A12-D15 VanDerWaalsContact N-OD2 3.16Å; A12-D15 WeakPolarHBondContact O-CA 3.47Å; A12-D15 VanDerWaalsContact O-CB 3.3Å; A12-D15 WeakPolarHBondContact O-CB 3.44Å; A12-D15 PolarHBondContact O-N 3.46Å | ||
| 13 | P | 58.2 | Low | 65.5 | Low | 117 Ų | 117 | 97.4 Ų | 97.4 | 76% | 0.76 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -51.7 | -27.8 | 176.9 | -26.8 | 34 | 0 | 0 | 0 | 113.6 | D15 E16 | P13-D15 VanDerWaalsContact C-N 3.26Å; P13-D15 PolarHBondContact O-N 2.95Å; P13-E16 PolarHBondContact O-N 3.24Å |
| 14 | D | 62.2 | Low | 68.4 | Low | 139 Ų | 139 | 89.8 Ų | 89.8 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -71 | -13.9 | 174.7 | -77 | -20.5 | 0 | 0 | 0 | 114.5 | A12 R61 | A12-D14 PolarHBondContact O-N 3.2Å; D14-R61 PolarHBondContact O-NH1 3.31Å |
| 15 | D | 71 | Confident | 71.1 | Confident | 66 Ų | 66 | 85.4 Ų | 85.4 | 35% | 0.353 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -84.6 | -16.8 | 176.7 | -71.6 | -36 | 0 | 0 | 0 | 114.1 | A11 A12 P13 R61 | A11-D15 HydrophobicContact CB-CB 3.9Å; A12-D15 PolarHBondContact N-OD2 3.42Å; A12-D15 VanDerWaalsContact N-OD2 3.16Å; A12-D15 WeakPolarHBondContact O-CA 3.47Å; A12-D15 VanDerWaalsContact O-CB 3.3Å; A12-D15 WeakPolarHBondContact O-CB 3.44Å; A12-D15 PolarHBondContact O-N 3.46Å; P13-D15 VanDerWaalsContact C-N 3.26Å; P13-D15 PolarHBondContact O-N 2.95Å; D15-R61 IonicContact OD1-CZ 3.55Å; D15-R61 VanDerWaalsContact OD1-CZ 3.23Å; D15-R61 IonicContact OD1-NH1 3.84Å; D15-R61 PolarHBondContact OD1-NH1 3.48Å; D15-R61 IonicContact OD1-NH2 3.57Å; D15-R61 PolarHBondContact OD1-NH2 2.98Å |
| 16 | E | 86.4 | Confident | 73.7 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | trans | -79.5 | 123.8 | 178.2 | -164.9 | -174.8 | -147.1 | 0 | 0 | 110.5 | P13 R78 | P13-E16 PolarHBondContact O-N 3.24Å; E16-R78 WeakPolarHBondContact O-CD 3.41Å; E16-R78 IonicContact OE2-CZ 3.41Å; E16-R78 IonicContact OE2-NH1 2.61Å; E16-R78 PolarHBondContact OE2-NH1 3.5Å; E16-R78 IonicContact OE2-NH2 2.86Å; E16-R78 PolarHBondContact OE2-NH2 3.37Å; E16-R78 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 17 | Y | 90.7 | Very high | 76.3 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 38% | 0.384 | 38% | 0.378 | S | S | . | . | trans | -123.4 | 148.9 | 174.8 | 59.8 | -97.5 | 0 | 0 | 0 | 110.1 | Y19 L20 H80 | Y17-Y19 VanDerWaalsContact CD2-C 3.49Å; Y17-L20 HydrophobicContact CD2-CB 4.3Å; Y17-L20 HydrophobicContact CE2-CB 3.61Å; Y17-H80 HydrophobicContact CD1-CB 3.64Å; Y17-H80 AromaticContact CD1-CG 3.99Å; Y17-H80 AromaticContact CD1-ND1 3.46Å; Y17-H80 WeakPolarHBondContact CD1-ND1 3.28Å; Y17-H80 HydrophobicContact CD2-CB 4.05Å; Y17-H80 HydrophobicContact CE1-CB 4.17Å; Y17-H80 AromaticContact CE1-ND1 3.49Å; Y17-H80 WeakPolarHBondContact CE1-ND1 3.46Å; Y17-H80 HydrophobicContact CG-CB 3.55Å | ||
| 18 | D | 91.5 | Very high | 78.9 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -86.2 | -30.4 | 178.6 | -49.6 | -52.5 | 0 | 0 | 0 | 110.7 | R78 | D18-R78 PolarHBondContact N-O 3.48Å; D18-R78 IonicContact OD1-CZ 2.73Å; D18-R78 IonicContact OD1-NE 2.74Å; D18-R78 PolarHBondContact OD1-NE 3Å; D18-R78 IonicContact OD1-NH2 3.23Å; D18-R78 PolarHBondContact OD1-NH2 3.31Å; D18-R78 VanDerWaalsContact OD2-CB 3.31Å; D18-R78 WeakPolarHBondContact OD2-CB 3.09Å; D18-R78 PolarHBondContact OD2-N 3.21Å; D18-R78 IonicContact OD2-NE 2.79Å; D18-R78 PolarHBondContact OD2-NE 2.88Å |
| 19 | Y | 94.2 | Very high | 81.5 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.9 | -179.4 | -56.3 | -88.9 | 0 | 0 | 0 | 111.9 | Y17 Q77 R78 L79 H80 M193 I196 | Y17-Y19 VanDerWaalsContact CD2-C 3.49Å; Y19-Q77 HydrophobicContact CD2-CB 4.39Å; Y19-Q77 HydrophobicContact CE2-CB 4.17Å; Y19-Q77 HydrophobicContact CE2-CG 4.13Å; Y19-R78 PolarHBondContact N-O 3.15Å; Y19-R78 VanDerWaalsContact N-O 3.14Å; Y19-L79 HydrophobicContact CD2-CD2 3.59Å; Y19-L79 HydrophobicContact CG-CD2 3.96Å; Y19-H80 PolarHBondContact O-N 3.17Å; Y19-M193 HydrophobicContact CD1-CE 4.2Å; Y19-M193 HydrophobicContact CD2-CE 3.86Å; Y19-M193 HydrophobicContact CE1-CE 4.2Å; Y19-M193 HydrophobicContact CE2-CE 3.86Å; Y19-M193 HydrophobicContact CG-CE 4.04Å; Y19-M193 HydrophobicContact CG-SD 4.48Å; Y19-I196 HydrophobicContact CD1-CG2 4.22Å; Y19-I196 HydrophobicContact CE1-CG2 3.89Å |
| 20 | L | 95.6 | Very high | 83.7 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.4 | 164.2 | -178.3 | 65.5 | 0 | 0 | 0 | 108.4 | Y17 H80 Q82 | Y17-L20 HydrophobicContact CD2-CB 4.3Å; Y17-L20 HydrophobicContact CE2-CB 3.61Å; L20-H80 WeakPolarHBondContact CA-O 3.45Å; L20-H80 HydrophobicContact CD1-CB 4.07Å; L20-Q82 HydrophobicContact CD1-CG 3.88Å |
| 21 | I | 97.2 | Very high | 86 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.6 | -176.8 | -54.4 | -62 | 0 | 0 | 0 | 110 | L23 H80 L81 Q82 M104 L189 V192 M193 I196 | I21-L23 HydrophobicContact CG2-CD2 3.63Å; I21-L23 HydrophobicContact CG2-CG 4Å; I21-H80 PolarHBondContact N-O 3.26Å; I21-L81 HydrophobicContact CB-CD2 3.74Å; I21-L81 HydrophobicContact CG1-CD2 4.22Å; I21-L81 HydrophobicContact CG2-CD2 4.27Å; I21-L81 CarbonylContact O-C 3.56Å; I21-L81 WeakPolarHBondContact O-CA 3.4Å; I21-Q82 PolarHBondContact O-N 3Å; I21-M104 HydrophobicContact CD1-CE 3.76Å; I21-M104 HydrophobicContact CD1-SD 4.23Å; I21-M104 HydrophobicContact CG2-SD 4.46Å; I21-L189 HydrophobicContact CG2-CD2 3.99Å; I21-V192 HydrophobicContact CD1-CG1 4.24Å; I21-V192 HydrophobicContact CG2-CG1 4.03Å; I21-M193 HydrophobicContact CD1-SD 4.01Å; I21-M193 HydrophobicContact CG1-SD 4.42Å; I21-I196 HydrophobicContact CD1-CD1 3.45Å; I21-I196 VanDerWaalsContact CD1-CD1 3.45Å |
| 22 | K | 96.7 | Very high | 88.1 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.5 | 176.8 | -65.1 | 176.8 | 177.5 | -178.2 | 0 | 110 | Q82 D102 M104 | K22-Q82 CarbonylContact C-O 3.57Å; K22-Q82 WeakPolarHBondContact CA-O 3.18Å; K22-Q82 HydrophobicContact CG-CB 4.1Å; K22-D102 VanDerWaalsContact CD-O 3.3Å; K22-D102 WeakPolarHBondContact CD-O 3.47Å; K22-M104 HydrophobicContact CB-CG 4.38Å; K22-M104 WeakPolarHBondContact O-CB 3.21Å; K22-M104 PolarHBondContact O-N 3.5Å |
| 23 | L | 97.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.3 | 174.1 | -50.2 | 178.7 | 0 | 0 | 0 | 109.6 | I21 Q82 L83 W84 G105 V185 L188 L189 V192 | I21-L23 HydrophobicContact CG2-CD2 3.63Å; I21-L23 HydrophobicContact CG2-CG 4Å; L23-Q82 PolarHBondContact N-O 3.07Å; L23-L83 HydrophobicContact CB-CD2 3.98Å; L23-L83 HydrophobicContact CD1-CD2 4.03Å; L23-L83 HydrophobicContact CG-CD2 4.39Å; L23-L83 WeakPolarHBondContact O-CA 3.25Å; L23-W84 PolarHBondContact O-N 3.22Å; L23-G105 WeakPolarHBondContact CA-O 3.47Å; L23-V185 HydrophobicContact CD1-CG1 3.92Å; L23-L188 HydrophobicContact CB-CD2 4.26Å; L23-L188 HydrophobicContact CD1-CD2 4.13Å; L23-L188 HydrophobicContact CD2-CD2 3.91Å; L23-L188 HydrophobicContact CD2-CG 4.07Å; L23-L188 HydrophobicContact CG-CD2 4.33Å; L23-L189 HydrophobicContact CD1-CD2 3.89Å; L23-L189 HydrophobicContact CD1-CG 4.23Å; L23-V192 HydrophobicContact CD2-CG2 4.2Å |
| 24 | L | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.6 | -178.5 | -175 | 147.5 | 0 | 0 | 0 | 110.7 | L26 W84 T86 F99 L100 A103 G105 F106 L107 | L24-L26 HydrophobicContact CD2-CB 3.82Å; L24-L26 HydrophobicContact CD2-CD2 3.98Å; L24-L26 HydrophobicContact CD2-CG 4.38Å; L24-W84 WeakPolarHBondContact CA-O 3.29Å; L24-W84 HydrophobicContact CB-CB 4.27Å; L24-W84 HydrophobicContact CD1-CB 4.11Å; L24-W84 HydrophobicContact CG-CB 4.14Å; L24-T86 HydrophobicContact CD1-CG2 3.73Å; L24-T86 HydrophobicContact CD2-CG2 3.72Å; L24-T86 HydrophobicContact CG-CG2 3.77Å; L24-F99 HydrophobicContact CD1-CB 3.54Å; L24-L100 HydrophobicContact CD1-CD2 4.15Å; L24-L100 HydrophobicContact CD2-CD2 3.8Å; L24-A103 HydrophobicContact CB-CB 3.84Å; L24-A103 HydrophobicContact CD1-CB 4.45Å; L24-G105 PolarHBondContact N-O 3.3Å; L24-F106 HydrophobicContact CB-CD1 3.97Å; L24-F106 HydrophobicContact CB-CE1 4.21Å; L24-F106 HydrophobicContact CD2-CD1 3.98Å; L24-F106 HydrophobicContact CD2-CE1 4.37Å; L24-F106 CarbonylContact O-C 3.56Å; L24-F106 VanDerWaalsContact O-CA 3.28Å; L24-F106 WeakPolarHBondContact O-CA 3.49Å; L24-L107 PolarHBondContact O-N 2.98Å |
| 25 | A | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K33 L37 W84 T86 L107 | A25-K33 HydrophobicContact CB-CB 4.15Å; A25-K33 HydrophobicContact CB-CD 4.49Å; A25-L37 HydrophobicContact CB-CD1 3.87Å; A25-L37 HydrophobicContact CB-CD2 4.45Å; A25-L37 HydrophobicContact CB-CG 4.27Å; A25-W84 PolarHBondContact N-O 3.39Å; A25-T86 PolarHBondContact O-N 2.79Å; A25-T86 PolarHBondContact O-OG1 2.74Å; A25-L107 WeakPolarHBondContact CA-O 3.49Å; A25-L107 HydrophobicContact CB-CB 4.37Å |
| 26 | L | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 168.3 | 178.9 | 74.5 | 163.8 | 0 | 0 | 0 | 112 | L24 K33 L100 F106 L107 L108 V109 W124 L128 | L24-L26 HydrophobicContact CD2-CB 3.82Å; L24-L26 HydrophobicContact CD2-CD2 3.98Å; L24-L26 HydrophobicContact CD2-CG 4.38Å; L26-K33 VanDerWaalsContact CA-CD 3.48Å; L26-L100 HydrophobicContact CD1-CD2 4.42Å; L26-F106 HydrophobicContact CD2-CB 3.8Å; L26-F106 HydrophobicContact CD2-CD1 4.11Å; L26-F106 HydrophobicContact CD2-CG 4.37Å; L26-L107 WeakPolarHBondContact CD2-O 3.39Å; L26-L107 PolarHBondContact N-O 3.05Å; L26-L108 HydrophobicContact CG-CD1 4.12Å; L26-V109 PolarHBondContact O-N 3.2Å; L26-W124 HydrophobicContact CD1-CE3 3.87Å; L26-L128 HydrophobicContact CD1-CD1 4.01Å; L26-L128 HydrophobicContact CD1-CD2 3.55Å; L26-L128 HydrophobicContact CD1-CG 3.71Å; L26-L128 HydrophobicContact CD2-CD1 4.14Å; L26-L128 HydrophobicContact CD2-CD2 4.2Å |
| 27 | G | 95 | Very high | 95 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 133.9 | 177.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K33 G88 V109 W124 | G27-K33 PolarHBondContact O-NZ 3.45Å; G27-G88 WeakPolarHBondContact O-CA 3.41Å; G27-V109 WeakPolarHBondContact CA-O 3.17Å; G27-W124 VanDerWaalsContact C-CE2 3.48Å; G27-W124 WeakPolarHBondContact O-CZ2 3.22Å |
| 28 | D | 94 | Very high | 95.2 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 16% | 0.16 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -57.6 | 163.3 | -176.5 | -80.9 | 13.2 | 0 | 0 | 0 | 113.3 | V31 K33 S117 N120 W124 | D28-V31 HydrophobicContact CB-CG1 3.78Å; D28-V31 VanDerWaalsContact O-CG2 3.26Å; D28-V31 WeakPolarHBondContact O-CG2 3.44Å; D28-K33 PolarHBondContact O-NZ 3Å; D28-S117 WeakPolarHBondContact OD2-CA 3.3Å; D28-N120 PolarHBondContact OD2-ND2 3.42Å; D28-W124 PolarHBondContact OD1-NE1 2.94Å |
| 29 | S | 91.5 | Very high | 95.4 | Very high | 36 Ų | 36 | 25 Ų | 25 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 146.4 | 169.9 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | V31 G88 Q89 | S29-V31 PolarHBondContact O-N 3.33Å; S29-V31 VanDerWaalsContact O-N 3.14Å; S29-G88 PolarHBondContact N-O 3.4Å; S29-G88 WeakPolarHBondContact OG-CA 3.16Å; S29-G88 PolarHBondContact OG-O 2.81Å; S29-Q89 WeakPolarHBondContact OG-CG 3.36Å; S29-Q89 PolarHBondContact OG-N 3.39Å |
| 30 | N | 92.1 | Very high | 95.6 | Very high | 94 Ų | 94 | 22 Ų | 22 | 50% | 0.503 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 10.3 | 174.6 | -55.5 | -15.8 | 0 | 0 | 0 | 116.9 | G32 K145 | N30-G32 PolarHBondContact O-N 3.06Å; N30-K145 WeakPolarHBondContact O-CE 3.46Å; N30-K145 PolarHBondContact O-NZ 3.43Å |
| 31 | V | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -73.4 | -11.2 | 171.6 | -54.7 | 0 | 0 | 0 | 0 | 113.6 | D28 S29 K33 V109 D111 N144 | D28-V31 HydrophobicContact CB-CG1 3.78Å; D28-V31 VanDerWaalsContact O-CG2 3.26Å; D28-V31 WeakPolarHBondContact O-CG2 3.44Å; S29-V31 PolarHBondContact O-N 3.33Å; S29-V31 VanDerWaalsContact O-N 3.14Å; V31-K33 HydrophobicContact CG2-CD 4.3Å; V31-K33 HydrophobicContact CG2-CG 3.63Å; V31-V109 HydrophobicContact CB-CG1 4.38Å; V31-V109 HydrophobicContact CG2-CB 3.97Å; V31-V109 HydrophobicContact CG2-CG1 3.9Å; V31-D111 HydrophobicContact CB-CB 4.12Å; V31-D111 HydrophobicContact CG1-CB 4.06Å; V31-N144 PolarHBondContact O-ND2 3.23Å |
| 32 | G | 95.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 9% | 0.093 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 95.6 | 25.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N30 S35 L36 | N30-G32 PolarHBondContact O-N 3.06Å; G32-S35 PolarHBondContact O-N 3.39Å; G32-L36 VanDerWaalsContact O-CB 3.29Å; G32-L36 WeakPolarHBondContact O-CB 3.44Å; G32-L36 PolarHBondContact O-N 2.8Å |
| 33 | K | 95.2 | Very high | 95.4 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53 | -54.4 | 175.9 | -56.8 | -173.1 | -63.4 | -79.9 | 0 | 112.6 | A25 L26 G27 D28 V31 S35 L36 L37 D85 T86 V109 | A25-K33 HydrophobicContact CB-CB 4.15Å; A25-K33 HydrophobicContact CB-CD 4.49Å; L26-K33 VanDerWaalsContact CA-CD 3.48Å; G27-K33 PolarHBondContact O-NZ 3.45Å; D28-K33 PolarHBondContact O-NZ 3Å; V31-K33 HydrophobicContact CG2-CD 4.3Å; V31-K33 HydrophobicContact CG2-CG 3.63Å; K33-S35 PolarHBondContact O-N 3.07Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.45Å; K33-L37 PolarHBondContact O-N 3.03Å; K33-D85 VanDerWaalsContact CB-OD1 3.29Å; K33-D85 WeakPolarHBondContact CB-OD1 3.39Å; K33-T86 WeakPolarHBondContact CE-O 3.46Å; K33-V109 HydrophobicContact CG-CB 4.08Å; K33-V109 HydrophobicContact CG-CG2 4.18Å |
| 34 | T | 94.2 | Very high | 95.1 | Very high | 34 Ų | 34 | 31 Ų | 31 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.5 | -53.6 | 176.1 | -39.9 | 0 | 0 | 0 | 0 | 110.8 | L36 L37 Y38 T52 D85 | T34-L36 VanDerWaalsContact C-N 3.28Å; T34-L36 PolarHBondContact O-N 3.22Å; T34-L37 PolarHBondContact O-N 2.91Å; T34-L37 VanDerWaalsContact O-N 3.14Å; T34-Y38 HydrophobicContact CG2-CD2 3.8Å; T34-Y38 HydrophobicContact CG2-CE2 3.71Å; T34-Y38 VanDerWaalsContact O-CD2 3.3Å; T34-Y38 WeakPolarHBondContact O-CD2 3.2Å; T34-Y38 PolarHBondContact O-N 3.41Å; T34-T52 PolarHBondContact OG1-OG1 3.34Å; T34-D85 WeakPolarHBondContact CA-OD2 3.5Å; T34-D85 VanDerWaalsContact CB-OD2 3.27Å; T34-D85 WeakPolarHBondContact CB-OD2 3.36Å; T34-D85 WeakPolarHBondContact CG2-OD2 3.24Å; T34-D85 PolarHBondContact N-OD1 2.77Å; T34-D85 PolarHBondContact OG1-OD2 2.96Å |
| 35 | S | 95.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.133 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.4 | -39.3 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | G32 K33 Q39 | G32-S35 PolarHBondContact O-N 3.39Å; K33-S35 PolarHBondContact O-N 3.07Å; S35-Q39 VanDerWaalsContact O-CB 3.25Å; S35-Q39 WeakPolarHBondContact O-CB 3.44Å; S35-Q39 PolarHBondContact O-N 3.09Å |
| 36 | L | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.5 | -171.8 | 154.9 | 0 | 0 | 0 | 111 | G32 K33 T34 Q39 Y40 L107 V142 T173 A175 V181 | G32-L36 VanDerWaalsContact O-CB 3.29Å; G32-L36 WeakPolarHBondContact O-CB 3.44Å; G32-L36 PolarHBondContact O-N 2.8Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 3.3Å; T34-L36 VanDerWaalsContact C-N 3.28Å; T34-L36 PolarHBondContact O-N 3.22Å; L36-Q39 PolarHBondContact O-N 2.81Å; L36-Y40 WeakPolarHBondContact O-CB 3.27Å; L36-Y40 PolarHBondContact O-N 3.14Å; L36-L107 HydrophobicContact CD2-CD1 4.02Å; L36-V142 HydrophobicContact CD1-CG1 3.9Å; L36-T173 WeakPolarHBondContact CD1-OG1 3.2Å; L36-A175 HydrophobicContact CB-CB 4.3Å; L36-V181 HydrophobicContact CD2-CG1 4.29Å; L36-V181 HydrophobicContact CG-CG1 4.26Å; L36-V181 WeakPolarHBondContact O-CG1 3.4Å |
| 37 | L | 96.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 178.1 | -66.3 | 179.4 | 0 | 0 | 0 | 112.4 | A25 K33 T34 Y40 T41 L83 D85 L107 | A25-L37 HydrophobicContact CB-CD1 3.87Å; A25-L37 HydrophobicContact CB-CD2 4.45Å; A25-L37 HydrophobicContact CB-CG 4.27Å; K33-L37 WeakPolarHBondContact O-CG 3.45Å; K33-L37 PolarHBondContact O-N 3.03Å; T34-L37 PolarHBondContact O-N 2.91Å; T34-L37 VanDerWaalsContact O-N 3.14Å; L37-Y40 PolarHBondContact O-N 2.78Å; L37-T41 WeakPolarHBondContact O-CG2 3.33Å; L37-T41 PolarHBondContact O-N 2.82Å; L37-T41 PolarHBondContact O-OG1 3.48Å; L37-L83 HydrophobicContact CD2-CB 4.26Å; L37-L83 HydrophobicContact CD2-CD1 4.4Å; L37-L83 HydrophobicContact CD2-CD2 4.46Å; L37-D85 HydrophobicContact CD1-CB 3.72Å; L37-L107 HydrophobicContact CD2-CD1 4.47Å |
| 38 | Y | 95.1 | Very high | 93.2 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 172.5 | -89.6 | -97.1 | 0 | 0 | 0 | 111.9 | T34 Y40 T41 D42 N43 I44 R58 | T34-Y38 HydrophobicContact CG2-CD2 3.8Å; T34-Y38 HydrophobicContact CG2-CE2 3.71Å; T34-Y38 VanDerWaalsContact O-CD2 3.3Å; T34-Y38 WeakPolarHBondContact O-CD2 3.2Å; T34-Y38 PolarHBondContact O-N 3.41Å; Y38-Y40 VanDerWaalsContact C-N 3.28Å; Y38-Y40 PolarHBondContact O-N 2.93Å; Y38-T41 PolarHBondContact O-N 2.99Å; Y38-D42 WeakPolarHBondContact O-CA 3.39Å; Y38-D42 WeakPolarHBondContact O-CB 3.37Å; Y38-D42 PolarHBondContact O-N 3.21Å; Y38-N43 PolarHBondContact O-N 3.26Å; Y38-I44 CarbonylContact C-O 3.57Å; Y38-R58 PolarHBondContact OH-NH1 3.03Å; Y38-R58 VanDerWaalsContact OH-NH1 3.13Å |
| 39 | Q | 96.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.3 | -173.5 | 67.5 | -21.7 | 0 | 0 | 111.3 | S35 L36 N43 I44 A175 G178 V181 | S35-Q39 VanDerWaalsContact O-CB 3.25Å; S35-Q39 WeakPolarHBondContact O-CB 3.44Å; S35-Q39 PolarHBondContact O-N 3.09Å; L36-Q39 PolarHBondContact O-N 2.81Å; Q39-N43 VanDerWaalsContact O-CA 3.27Å; Q39-N43 WeakPolarHBondContact O-CA 3.36Å; Q39-N43 PolarHBondContact O-N 3.2Å; Q39-I44 PolarHBondContact N-O 3.42Å; Q39-I44 PolarHBondContact OE1-O 3.01Å; Q39-A175 WeakPolarHBondContact CG-O 3.44Å; Q39-G178 VanDerWaalsContact NE2-N 3.16Å; Q39-V181 HydrophobicContact CB-CG1 4.29Å; Q39-V181 HydrophobicContact CG-CB 4.43Å; Q39-V181 HydrophobicContact CG-CG1 4.29Å; Q39-V181 HydrophobicContact CG-CG2 4.09Å |
| 40 | Y | 97.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 175.6 | 179.8 | -109.2 | 0 | 0 | 0 | 113.1 | L36 L37 Y38 K60 L62 L81 L83 V181 N182 V185 | L36-Y40 WeakPolarHBondContact O-CB 3.27Å; L36-Y40 PolarHBondContact O-N 3.14Å; L37-Y40 PolarHBondContact O-N 2.78Å; Y38-Y40 VanDerWaalsContact C-N 3.28Å; Y38-Y40 PolarHBondContact O-N 2.93Å; Y40-K60 HydrophobicContact CD1-CD 3.92Å; Y40-K60 HydrophobicContact CE1-CB 4.44Å; Y40-K60 HydrophobicContact CE1-CD 3.4Å; Y40-K60 VanDerWaalsContact CE1-CD 3.4Å; Y40-K60 PolarHBondContact O-NZ 3.38Å; Y40-L62 VanDerWaalsContact OH-CD2 3.28Å; Y40-L62 WeakPolarHBondContact OH-CD2 3.21Å; Y40-L81 HydrophobicContact CE1-CD1 4.08Å; Y40-L83 HydrophobicContact CD1-CD1 3.66Å; Y40-L83 HydrophobicContact CE1-CD1 3.96Å; Y40-V181 HydrophobicContact CD2-CG1 4.47Å; Y40-N182 VanDerWaalsContact CD2-OD1 3.28Å; Y40-N182 WeakPolarHBondContact CD2-OD1 3.35Å; Y40-N182 HydrophobicContact CE2-CB 4.43Å; Y40-N182 WeakPolarHBondContact CE2-OD1 3.46Å; Y40-V185 HydrophobicContact CD1-CG1 4.48Å; Y40-V185 HydrophobicContact CD1-CG2 4.05Å; Y40-V185 HydrophobicContact CD2-CB 4.02Å; Y40-V185 HydrophobicContact CD2-CG2 3.65Å; Y40-V185 HydrophobicContact CE1-CB 4.28Å; Y40-V185 HydrophobicContact CE1-CG1 3.8Å; Y40-V185 HydrophobicContact CE1-CG2 4.16Å; Y40-V185 HydrophobicContact CE2-CB 3.6Å; Y40-V185 HydrophobicContact CE2-CG1 3.89Å; Y40-V185 HydrophobicContact CE2-CG2 3.78Å; Y40-V185 HydrophobicContact CG-CG2 3.79Å; Y40-V185 VanDerWaalsContact CZ-CG1 3.45Å; Y40-V185 WeakPolarHBondContact OH-CG1 3.33Å |
| 41 | T | 95.9 | Very high | 90.9 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83 | -42 | -174.4 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | L37 Y38 R58 K60 L83 | L37-T41 WeakPolarHBondContact O-CG2 3.33Å; L37-T41 PolarHBondContact O-N 2.82Å; L37-T41 PolarHBondContact O-OG1 3.48Å; Y38-T41 PolarHBondContact O-N 2.99Å; T41-R58 HydrophobicContact CG2-CB 4.13Å; T41-R58 PolarHBondContact OG1-NE 2.75Å; T41-K60 HydrophobicContact CG2-CB 4.29Å; T41-L83 HydrophobicContact CG2-CD1 3.37Å |
| 42 | D | 94.3 | Very high | 90 | Very high | 67 Ų | 67 | 61 Ų | 61 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -115 | -8.7 | -167 | -53.1 | -5.3 | 0 | 0 | 0 | 112.5 | Y38 I44 R58 | Y38-D42 WeakPolarHBondContact O-CA 3.39Å; Y38-D42 WeakPolarHBondContact O-CB 3.37Å; Y38-D42 PolarHBondContact O-N 3.21Å; D42-I44 HydrophobicContact CB-CB 4.22Å; D42-I44 HydrophobicContact CB-CD1 3.85Å; D42-I44 HydrophobicContact CB-CG1 3.98Å; D42-I44 PolarHBondContact O-N 3.42Å; D42-R58 IonicContact OD1-CZ 3.52Å; D42-R58 IonicContact OD1-NE 3.93Å; D42-R58 IonicContact OD1-NH2 3.28Å; D42-R58 PolarHBondContact OD1-NH2 2.92Å; D42-R58 IonicContact OD2-CZ 2.85Å; D42-R58 IonicContact OD2-NH2 3.34Å; D42-R58 PolarHBondContact OD2-NH2 3.48Å |
| 43 | N | 94.7 | Very high | 89 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 56 | 38.7 | -170.6 | -165.9 | 47.2 | 0 | 0 | 0 | 112.2 | Y38 Q39 | Y38-N43 PolarHBondContact O-N 3.26Å; Q39-N43 VanDerWaalsContact O-CA 3.27Å; Q39-N43 WeakPolarHBondContact O-CA 3.36Å; Q39-N43 PolarHBondContact O-N 3.2Å |
| 44 | I | 92.3 | Very high | 88.1 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | trans | -121.1 | 131 | 179.6 | -64.2 | 171.3 | 0 | 0 | 0 | 110 | Y38 Q39 D42 | Y38-I44 CarbonylContact C-O 3.57Å; Q39-I44 PolarHBondContact N-O 3.42Å; Q39-I44 PolarHBondContact OE1-O 3.01Å; D42-I44 HydrophobicContact CB-CB 4.22Å; D42-I44 HydrophobicContact CB-CD1 3.85Å; D42-I44 HydrophobicContact CB-CG1 3.98Å; D42-I44 PolarHBondContact O-N 3.42Å | ||
| 45 | F | 92.1 | Very high | 87.5 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | trans | -110 | 122.5 | 164.4 | 178 | -109.8 | 0 | 0 | 0 | 110.5 | P47 A175 A176 | F45-P47 HydrophobicContact CE1-CB 3.88Å; F45-A175 HydrophobicContact CD2-CB 4.3Å; F45-A175 WeakPolarHBondContact CD2-O 3.07Å; F45-A175 HydrophobicContact CE2-CB 4.46Å; F45-A176 HydrophobicContact CD1-CB 4.05Å; F45-A176 HydrophobicContact CD2-CB 4.24Å; F45-A176 HydrophobicContact CE1-CB 3.85Å; F45-A176 HydrophobicContact CE2-CB 4.07Å; F45-A176 HydrophobicContact CG-CB 4.23Å; F45-A176 HydrophobicContact CZ-CB 3.87Å | ||
| 46 | N | 88.1 | Confident | 87.1 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | trans | -100.2 | 111.9 | 170.6 | -172.1 | -7.5 | 0 | 0 | 0 | 109.7 | R48 | N46-R48 PolarHBondContact O-N 3.07Å; N46-R48 WeakPolarHBondContact OD1-CB 3.41Å; N46-R48 PolarHBondContact OD1-N 3.23Å | ||
| 47 | P | 82.2 | Confident | 86.7 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | trans | -69.6 | -15.8 | 178.4 | 29 | -35.2 | 0 | 0 | 0 | 112.7 | F45 F49 | F45-P47 HydrophobicContact CE1-CB 3.88Å; P47-F49 WeakPolarHBondContact O-CD2 3.48Å; P47-F49 PolarHBondContact O-N 2.96Å; P47-F49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | R | 79.7 | Confident | 86.5 | Confident | 205 Ų | 205 | 73.1 Ų | 73.1 | 77% | 0.774 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -77.1 | 103.5 | 174.2 | -62.5 | -175 | 178.7 | 176.3 | 0.6 | 108.9 | N46 T50 | N46-R48 PolarHBondContact O-N 3.07Å; N46-R48 WeakPolarHBondContact OD1-CB 3.41Å; N46-R48 PolarHBondContact OD1-N 3.23Å; R48-T50 PolarHBondContact O-N 3.5Å |
| 49 | F | 72.2 | Confident | 86.5 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 55% | 0.548 | 38% | 0.382 | S | S | . | . | trans | -67.8 | 125.3 | 174.6 | -64.1 | -80.3 | 0 | 0 | 0 | 110.6 | P47 | P47-F49 WeakPolarHBondContact O-CD2 3.48Å; P47-F49 PolarHBondContact O-N 2.96Å; P47-F49 VanDerWaalsContact O-N 3.17Å | ||
| 50 | T | 75.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 71% | 0.712 | 39% | 0.39 | S | S | * | . | trans | -122.4 | 135.4 | 164.4 | 51.7 | 0 | 0 | 0 | 0 | 107.7 | R48 T52 | R48-T50 PolarHBondContact O-N 3.5Å; T50-T52 PolarHBondContact O-N 3.19Å | ||
| 51 | T | 82.5 | Confident | 86.3 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 121.5 | 177.3 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | V53 | T51-V53 PolarHBondContact O-N 3.12Š|
| 52 | T | 75.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 16% | 0.16 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 125.7 | 171 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | T34 T50 D56 D85 A87 | T34-T52 PolarHBondContact OG1-OG1 3.34Å; T50-T52 PolarHBondContact O-N 3.19Å; T52-D56 HydrophobicContact CG2-CB 4.25Å; T52-D85 PolarHBondContact OG1-OD2 3.43Å; T52-D85 VanDerWaalsContact OG1-OD2 3.1Å; T52-A87 VanDerWaalsContact O-CB 3.29Å; T52-A87 WeakPolarHBondContact O-CB 3.5Å |
| 53 | V | 74.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -101 | 123.1 | 173.2 | 176 | 0 | 0 | 0 | 0 | 108 | T51 V55 Y92 | T51-V53 PolarHBondContact O-N 3.12Å; V53-V55 PolarHBondContact O-N 3.04Å; V53-Y92 HydrophobicContact CG1-CE1 4.2Å |
| 54 | G | 76 | Confident | 85.8 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 9% | 0.093 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 73.7 | -122.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A87 | G54-A87 WeakPolarHBondContact O-CB 3.29Å; G54-A87 PolarHBondContact O-N 3.39Å |
| 55 | V | 81.7 | Confident | 85.4 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.3 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | V53 W84 D85 T86 L95 F99 | V53-V55 PolarHBondContact O-N 3.04Å; V55-W84 HydrophobicContact CG1-CB 4.33Å; V55-W84 HydrophobicContact CG1-CE3 3.67Å; V55-W84 HydrophobicContact CG1-CZ3 4.43Å; V55-D85 CarbonylContact C-O 3.37Å; V55-D85 WeakPolarHBondContact CA-O 3.3Å; V55-D85 VanDerWaalsContact CG1-O 3.25Å; V55-D85 WeakPolarHBondContact CG1-O 3.48Å; V55-T86 HydrophobicContact CG2-CG2 4.3Å; V55-L95 HydrophobicContact CG2-CD2 4.17Å; V55-L95 HydrophobicContact CG2-CG 4.36Å; V55-F99 HydrophobicContact CB-CD2 4.38Å; V55-F99 HydrophobicContact CB-CE2 3.98Å; V55-F99 HydrophobicContact CB-CZ 4.19Å; V55-F99 HydrophobicContact CG1-CD2 4.38Å; V55-F99 HydrophobicContact CG1-CE1 4.45Å; V55-F99 HydrophobicContact CG1-CE2 4.3Å; V55-F99 HydrophobicContact CG1-CZ 4.33Å; V55-F99 HydrophobicContact CG2-CD2 3.64Å; V55-F99 HydrophobicContact CG2-CE2 3.49Å; V55-F99 VanDerWaalsContact CG2-CE2 3.49Å; V55-F99 HydrophobicContact CG2-CG 4.48Å; V55-F99 HydrophobicContact CG2-CZ 4.21Å |
| 56 | D | 87.4 | Confident | 84.5 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 154.3 | 172.4 | -169.2 | 22.5 | 0 | 0 | 0 | 109.9 | T52 D85 | T52-D56 HydrophobicContact CG2-CB 4.25Å; D56-D85 HydrophobicContact CB-CB 4.11Å; D56-D85 PolarHBondContact N-O 2.96Å; D56-D85 PolarHBondContact O-N 3.16Å |
| 57 | F | 89.7 | Confident | 83.8 | Confident | 75 Ų | 75 | 82 Ų | 82 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.2 | -171.2 | 172.3 | -99.3 | 0 | 0 | 0 | 111 | Q59 Q82 W84 | F57-Q59 HydrophobicContact CE1-CB 4.49Å; F57-Q59 HydrophobicContact CZ-CB 4.4Å; F57-Q82 HydrophobicContact CE2-CB 3.72Å; F57-Q82 HydrophobicContact CE2-CG 3.66Å; F57-Q82 HydrophobicContact CZ-CB 4.34Å; F57-Q82 HydrophobicContact CZ-CG 3.83Å; F57-W84 HydrophobicContact CB-CE3 4.23Å; F57-W84 HydrophobicContact CB-CZ3 4.12Å; F57-W84 AromaticContact CD2-CD2 3.83Å; F57-W84 HydrophobicContact CD2-CD2 3.83Å; F57-W84 AromaticContact CD2-CE2 3.61Å; F57-W84 AromaticContact CD2-CE3 3.94Å; F57-W84 HydrophobicContact CD2-CE3 3.94Å; F57-W84 AromaticContact CD2-CH2 3.74Å; F57-W84 HydrophobicContact CD2-CH2 3.74Å; F57-W84 AromaticContact CD2-CZ2 3.59Å; F57-W84 HydrophobicContact CD2-CZ2 3.59Å; F57-W84 AromaticContact CD2-CZ3 3.9Å; F57-W84 HydrophobicContact CD2-CZ3 3.9Å; F57-W84 AromaticContact CE2-CE2 3.89Å; F57-W84 HydrophobicContact CE2-CH2 4.25Å; F57-W84 AromaticContact CE2-CZ2 3.75Å; F57-W84 HydrophobicContact CE2-CZ2 3.75Å; F57-W84 HydrophobicContact CG-CH2 4.4Å; F57-W84 HydrophobicContact CG-CZ3 4.35Å |
| 58 | R | 92.9 | Very high | 83.4 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 160.5 | 171.8 | -53.4 | -164.1 | 72.4 | 79.8 | 2.4 | 110.8 | Y38 T41 D42 L83 | Y38-R58 PolarHBondContact OH-NH1 3.03Å; Y38-R58 VanDerWaalsContact OH-NH1 3.13Å; T41-R58 HydrophobicContact CG2-CB 4.13Å; T41-R58 PolarHBondContact OG1-NE 2.75Å; D42-R58 IonicContact OD1-CZ 3.52Å; D42-R58 IonicContact OD1-NE 3.93Å; D42-R58 IonicContact OD1-NH2 3.28Å; D42-R58 PolarHBondContact OD1-NH2 2.92Å; D42-R58 IonicContact OD2-CZ 2.85Å; D42-R58 IonicContact OD2-NH2 3.34Å; D42-R58 PolarHBondContact OD2-NH2 3.48Å; R58-L83 HydrophobicContact CB-CB 4.31Å; R58-L83 PolarHBondContact N-O 3.46Å; R58-L83 PolarHBondContact O-N 3.38Å |
| 59 | Q | 94.9 | Very high | 83 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.9 | 175.1 | 59.3 | -178.4 | -44 | 0 | 0 | 110.8 | F57 H80 L81 | F57-Q59 HydrophobicContact CE1-CB 4.49Å; F57-Q59 HydrophobicContact CZ-CB 4.4Å; Q59-H80 PolarHBondContact OE1-CE1 3.3Å; Q59-H80 PolarHBondContact OE1-NE2 2.95Å; Q59-L81 WeakPolarHBondContact CA-O 3.46Å; Q59-L81 WeakPolarHBondContact CB-O 3.31Å |
| 60 | K | 95.5 | Very high | 83.4 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 24% | 0.235 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 131.9 | 173.9 | -168.4 | 179.7 | -173.7 | 176.6 | 0 | 108.7 | Y40 T41 L81 | Y40-K60 HydrophobicContact CD1-CD 3.92Å; Y40-K60 HydrophobicContact CE1-CB 4.44Å; Y40-K60 HydrophobicContact CE1-CD 3.4Å; Y40-K60 VanDerWaalsContact CE1-CD 3.4Å; Y40-K60 PolarHBondContact O-NZ 3.38Å; T41-K60 HydrophobicContact CG2-CB 4.29Å; K60-L81 PolarHBondContact N-O 2.73Å; K60-L81 VanDerWaalsContact N-O 3.1Å; K60-L81 WeakPolarHBondContact O-CA 3.27Å; K60-L81 VanDerWaalsContact O-CB 3.28Å; K60-L81 WeakPolarHBondContact O-CB 3.34Å; K60-L81 PolarHBondContact O-N 2.85Å |
| 61 | R | 94.5 | Very high | 83.5 | Confident | 109 Ų | 109 | 75.4 Ų | 75.4 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137 | 170.2 | -68.5 | -175.7 | 178 | 159.9 | 3.1 | 109.1 | D14 D15 L79 | D14-R61 PolarHBondContact O-NH1 3.31Å; D15-R61 IonicContact OD1-CZ 3.55Å; D15-R61 VanDerWaalsContact OD1-CZ 3.23Å; D15-R61 IonicContact OD1-NH1 3.84Å; D15-R61 PolarHBondContact OD1-NH1 3.48Å; D15-R61 IonicContact OD1-NH2 3.57Å; D15-R61 PolarHBondContact OD1-NH2 2.98Å; R61-L79 WeakPolarHBondContact CA-O 3.46Å |
| 62 | L | 93.6 | Very high | 83.4 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.2 | 175.6 | 67.3 | 81 | 0 | 0 | 0 | 110.7 | Y40 R64 L79 L81 L189 | Y40-L62 VanDerWaalsContact OH-CD2 3.28Å; Y40-L62 WeakPolarHBondContact OH-CD2 3.21Å; L62-R64 HydrophobicContact CD1-CG 3.26Å; L62-L79 HydrophobicContact CD1-CB 3.91Å; L62-L79 HydrophobicContact CD1-CD1 3.66Å; L62-L79 HydrophobicContact CD1-CG 3.81Å; L62-L79 HydrophobicContact CG-CB 4.15Å; L62-L79 PolarHBondContact N-O 3.38Å; L62-L79 PolarHBondContact O-N 3.04Å; L62-L81 HydrophobicContact CD2-CD1 3.57Å; L62-L81 HydrophobicContact CD2-CG 4.15Å; L62-L81 HydrophobicContact CG-CD1 4.41Å; L62-L81 HydrophobicContact CG-CG 4.48Å; L62-L189 HydrophobicContact CD2-CD1 4.02Å |
| 63 | V | 91.9 | Very high | 83.5 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 53% | 0.527 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.7 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | K76 Q77 R78 | V63-K76 HydrophobicContact CG1-CB 3.83Å; V63-K76 HydrophobicContact CG1-CD 4.12Å; V63-K76 HydrophobicContact CG1-CG 3.99Å; V63-Q77 WeakPolarHBondContact CA-O 3.37Å; V63-R78 HydrophobicContact CG2-CG 4.25Å |
| 64 | R | 88.5 | Confident | 83.6 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.3 | 171.7 | -54.4 | -166 | 76 | -166.7 | -0.8 | 110.1 | L62 Q77 L79 D190 | L62-R64 HydrophobicContact CD1-CG 3.26Å; R64-Q77 PolarHBondContact N-O 3.13Å; R64-Q77 PolarHBondContact O-N 3.33Å; R64-L79 HydrophobicContact CG-CD1 3.94Å; R64-L79 HydrophobicContact CG-CG 4.43Å; R64-D190 IonicContact CZ-OD1 2.64Å; R64-D190 IonicContact NH1-OD1 2.82Å; R64-D190 PolarHBondContact NH1-OD1 2.81Å; R64-D190 IonicContact NH2-OD1 2.96Å; R64-D190 PolarHBondContact NH2-OD1 2.96Å; R64-D190 IonicContact NH2-OD2 3.89Å |
| 65 | E | 82.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.1 | 170.1 | -68.6 | 177.9 | 171.9 | 0 | 0 | 106.7 | L73 K76 | E65-L73 HydrophobicContact CB-CD2 3.95Å; E65-L73 WeakPolarHBondContact OE2-CD2 3.46Å; E65-K76 HydrophobicContact CG-CG 3.92Å; E65-K76 WeakPolarHBondContact OE1-CE 3.37Å; E65-K76 IonicContact OE1-NZ 3.11Å |
| 66 | S | 73.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 149.8 | 169.6 | -172 | 0 | 0 | 0 | 0 | 108.9 | G74 | S66-G74 WeakPolarHBondContact O-CA 3.42Å; S66-G74 PolarHBondContact O-N 3.16Å |
| 67 | R | 73.8 | Confident | 84.2 | Confident | 160 Ų | 160 | 83.9 Ų | 83.9 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136 | 169.5 | -69.9 | -179.5 | -179.3 | -88 | -3.6 | 108.3 | G71 L72 L73 | R67-G71 PolarHBondContact NH1-O 2.88Å; R67-L72 VanDerWaalsContact CA-O 3.28Å; R67-L72 WeakPolarHBondContact CA-O 3.25Å; R67-L73 HydrophobicContact CG-CD2 4.47Å |
| 68 | D | 74.2 | Confident | 84.4 | Confident | 73 Ų | 73 | 84 Ų | 84 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | trans | -73 | 178.4 | 173.1 | 66.6 | 20.2 | 0 | 0 | 0 | 111.4 | E70 G71 L72 | D68-E70 PolarHBondContact O-N 3.06Å; D68-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 WeakPolarHBondContact OD1-CA 3.44Å; D68-E70 WeakPolarHBondContact OD1-CB 3.42Å; D68-E70 PolarHBondContact OD1-N 3.07Å; D68-G71 PolarHBondContact O-N 3.15Å; D68-G71 PolarHBondContact OD1-N 3.31Å; D68-G71 VanDerWaalsContact OD1-N 3.1Å; D68-L72 PolarHBondContact N-O 3.43Å; D68-L72 PolarHBondContact OD1-N 3.4Å | ||
| 69 | S | 72.4 | Confident | 84.5 | Confident | 129 Ų | 129 | 81.7 Ų | 81.7 | 90% | 0.902 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.1 | 178.5 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | G71 | S69-G71 VanDerWaalsContact C-N 3.34Š|
| 70 | E | 80.2 | Confident | 84.6 | Confident | 156 Ų | 156 | 77.3 Ų | 77.3 | 73% | 0.729 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.7 | 178.9 | -59 | -178.4 | -175.8 | 0 | 0 | 111.7 | D68 L72 | D68-E70 PolarHBondContact O-N 3.06Å; D68-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 WeakPolarHBondContact OD1-CA 3.44Å; D68-E70 WeakPolarHBondContact OD1-CB 3.42Å; D68-E70 PolarHBondContact OD1-N 3.07Å; E70-L72 HydrophobicContact CB-CD1 4.33Å; E70-L72 HydrophobicContact CB-CG 4.48Å; E70-L72 PolarHBondContact O-N 2.9Å |
| 71 | G | 76.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 78.2 | 2.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R67 D68 S69 | R67-G71 PolarHBondContact NH1-O 2.88Å; D68-G71 PolarHBondContact O-N 3.15Å; D68-G71 PolarHBondContact OD1-N 3.31Å; D68-G71 VanDerWaalsContact OD1-N 3.1Å; S69-G71 VanDerWaalsContact C-N 3.34Å |
| 72 | L | 80.3 | Confident | 84.8 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | trans | -72.1 | 144.6 | 176.7 | -69.6 | 165.4 | 0 | 0 | 0 | 109.5 | R67 D68 E70 G74 | R67-L72 VanDerWaalsContact CA-O 3.28Å; R67-L72 WeakPolarHBondContact CA-O 3.25Å; D68-L72 PolarHBondContact N-O 3.43Å; D68-L72 PolarHBondContact OD1-N 3.4Å; E70-L72 HydrophobicContact CB-CD1 4.33Å; E70-L72 HydrophobicContact CB-CG 4.48Å; E70-L72 PolarHBondContact O-N 2.9Å; L72-G74 PolarHBondContact O-N 3.26Å | ||
| 73 | L | 78.7 | Confident | 84.9 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 116.3 | 175.8 | -78.1 | 160.5 | 0 | 0 | 0 | 108.7 | E65 R67 | E65-L73 HydrophobicContact CB-CD2 3.95Å; E65-L73 WeakPolarHBondContact OE2-CD2 3.46Å; R67-L73 HydrophobicContact CG-CD2 4.47Å |
| 74 | G | 75.9 | Confident | 85 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 177.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S66 L72 | S66-G74 WeakPolarHBondContact O-CA 3.42Å; S66-G74 PolarHBondContact O-N 3.16Å; L72-G74 PolarHBondContact O-N 3.26Å |
| 75 | P | 81.9 | Confident | 85.1 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 143.6 | 176.5 | 26.9 | -33.8 | 0 | 0 | 0 | 110.6 | Q77 | P75-Q77 PolarHBondContact O-N 2.8Å |
| 76 | K | 86.8 | Confident | 85.2 | Confident | 138 Ų | 138 | 60.9 Ų | 60.9 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 130.6 | 167.5 | -76.9 | 179.6 | 172.8 | -177.2 | 0 | 109.1 | V63 E65 | V63-K76 HydrophobicContact CG1-CB 3.83Å; V63-K76 HydrophobicContact CG1-CD 4.12Å; V63-K76 HydrophobicContact CG1-CG 3.99Å; E65-K76 HydrophobicContact CG-CG 3.92Å; E65-K76 WeakPolarHBondContact OE1-CE 3.37Å; E65-K76 IonicContact OE1-NZ 3.11Å |
| 77 | Q | 89 | Confident | 85.6 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 108.8 | 176.8 | -61.7 | 177.8 | -32.6 | 0 | 0 | 108.4 | Y19 V63 R64 P75 L79 E197 | Y19-Q77 HydrophobicContact CD2-CB 4.39Å; Y19-Q77 HydrophobicContact CE2-CB 4.17Å; Y19-Q77 HydrophobicContact CE2-CG 4.13Å; V63-Q77 WeakPolarHBondContact CA-O 3.37Å; R64-Q77 PolarHBondContact N-O 3.13Å; R64-Q77 PolarHBondContact O-N 3.33Å; P75-Q77 PolarHBondContact O-N 2.8Å; Q77-L79 HydrophobicContact CB-CD2 4.17Å; Q77-L79 PolarHBondContact O-N 3.03Å; Q77-E197 PolarHBondContact NE2-OE1 3.18Å |
| 78 | R | 93.5 | Very high | 85.5 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112 | 174.3 | -61.7 | 172.7 | -70 | -179.9 | 1.8 | 108.6 | E16 D18 Y19 V63 | E16-R78 WeakPolarHBondContact O-CD 3.41Å; E16-R78 IonicContact OE2-CZ 3.41Å; E16-R78 IonicContact OE2-NH1 2.61Å; E16-R78 PolarHBondContact OE2-NH1 3.5Å; E16-R78 IonicContact OE2-NH2 2.86Å; E16-R78 PolarHBondContact OE2-NH2 3.37Å; E16-R78 VanDerWaalsContact OE2-NH2 3.09Å; D18-R78 PolarHBondContact N-O 3.48Å; D18-R78 IonicContact OD1-CZ 2.73Å; D18-R78 IonicContact OD1-NE 2.74Å; D18-R78 PolarHBondContact OD1-NE 3Å; D18-R78 IonicContact OD1-NH2 3.23Å; D18-R78 PolarHBondContact OD1-NH2 3.31Å; D18-R78 VanDerWaalsContact OD2-CB 3.31Å; D18-R78 WeakPolarHBondContact OD2-CB 3.09Å; D18-R78 PolarHBondContact OD2-N 3.21Å; D18-R78 IonicContact OD2-NE 2.79Å; D18-R78 PolarHBondContact OD2-NE 2.88Å; Y19-R78 PolarHBondContact N-O 3.15Å; Y19-R78 VanDerWaalsContact N-O 3.14Å; V63-R78 HydrophobicContact CG2-CG 4.25Å |
| 79 | L | 95.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.7 | 179 | -48 | -170.3 | 0 | 0 | 0 | 109.9 | Y19 R61 L62 R64 Q77 L81 L189 M193 | Y19-L79 HydrophobicContact CD2-CD2 3.59Å; Y19-L79 HydrophobicContact CG-CD2 3.96Å; R61-L79 WeakPolarHBondContact CA-O 3.46Å; L62-L79 HydrophobicContact CD1-CB 3.91Å; L62-L79 HydrophobicContact CD1-CD1 3.66Å; L62-L79 HydrophobicContact CD1-CG 3.81Å; L62-L79 HydrophobicContact CG-CB 4.15Å; L62-L79 PolarHBondContact N-O 3.38Å; L62-L79 PolarHBondContact O-N 3.04Å; R64-L79 HydrophobicContact CG-CD1 3.94Å; R64-L79 HydrophobicContact CG-CG 4.43Å; Q77-L79 HydrophobicContact CB-CD2 4.17Å; Q77-L79 PolarHBondContact O-N 3.03Å; L79-L81 HydrophobicContact CB-CD2 3.95Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L79-L189 HydrophobicContact CD1-CD1 4.47Å; L79-L189 HydrophobicContact CD1-CD2 4.28Å; L79-M193 HydrophobicContact CD1-SD 4.37Å; L79-M193 HydrophobicContact CD2-CE 3.94Å; L79-M193 HydrophobicContact CD2-SD 4Å |
| 80 | H | 96.5 | Very high | 85.2 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.3 | 162.9 | -167.7 | 159.2 | 0 | 0 | 0 | 107.8 | Y17 Y19 L20 I21 Q59 | Y17-H80 HydrophobicContact CD1-CB 3.64Å; Y17-H80 AromaticContact CD1-CG 3.99Å; Y17-H80 AromaticContact CD1-ND1 3.46Å; Y17-H80 WeakPolarHBondContact CD1-ND1 3.28Å; Y17-H80 HydrophobicContact CD2-CB 4.05Å; Y17-H80 HydrophobicContact CE1-CB 4.17Å; Y17-H80 AromaticContact CE1-ND1 3.49Å; Y17-H80 WeakPolarHBondContact CE1-ND1 3.46Å; Y17-H80 HydrophobicContact CG-CB 3.55Å; Y19-H80 PolarHBondContact O-N 3.17Å; L20-H80 WeakPolarHBondContact CA-O 3.45Å; L20-H80 HydrophobicContact CD1-CB 4.07Å; I21-H80 PolarHBondContact N-O 3.26Å; Q59-H80 PolarHBondContact OE1-CE1 3.3Å; Q59-H80 PolarHBondContact OE1-NE2 2.95Å |
| 81 | L | 97.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.9 | 177.5 | -52.8 | -170.1 | 0 | 0 | 0 | 110.7 | I21 Y40 Q59 K60 L62 L79 L83 V185 L189 | I21-L81 HydrophobicContact CB-CD2 3.74Å; I21-L81 HydrophobicContact CG1-CD2 4.22Å; I21-L81 HydrophobicContact CG2-CD2 4.27Å; I21-L81 CarbonylContact O-C 3.56Å; I21-L81 WeakPolarHBondContact O-CA 3.4Å; Y40-L81 HydrophobicContact CE1-CD1 4.08Å; Q59-L81 WeakPolarHBondContact CA-O 3.46Å; Q59-L81 WeakPolarHBondContact CB-O 3.31Å; K60-L81 PolarHBondContact N-O 2.73Å; K60-L81 VanDerWaalsContact N-O 3.1Å; K60-L81 WeakPolarHBondContact O-CA 3.27Å; K60-L81 VanDerWaalsContact O-CB 3.28Å; K60-L81 WeakPolarHBondContact O-CB 3.34Å; K60-L81 PolarHBondContact O-N 2.85Å; L62-L81 HydrophobicContact CD2-CD1 3.57Å; L62-L81 HydrophobicContact CD2-CG 4.15Å; L62-L81 HydrophobicContact CG-CD1 4.41Å; L62-L81 HydrophobicContact CG-CG 4.48Å; L79-L81 HydrophobicContact CB-CD2 3.95Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L81-L83 HydrophobicContact CB-CD2 4.46Å; L81-L83 HydrophobicContact CB-CG 4.5Å; L81-V185 HydrophobicContact CD1-CG1 4.44Å; L81-L189 HydrophobicContact CD1-CD1 4.03Å; L81-L189 HydrophobicContact CD1-CD2 4.37Å; L81-L189 HydrophobicContact CD2-CD1 4.44Å; L81-L189 HydrophobicContact CD2-CD2 3.61Å |
| 82 | Q | 96.9 | Very high | 84.8 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.9 | 165.8 | -73.6 | -168.3 | -8.2 | 0 | 0 | 107.9 | L20 I21 K22 L23 F57 | L20-Q82 HydrophobicContact CD1-CG 3.88Å; I21-Q82 PolarHBondContact O-N 3Å; K22-Q82 CarbonylContact C-O 3.57Å; K22-Q82 WeakPolarHBondContact CA-O 3.18Å; K22-Q82 HydrophobicContact CG-CB 4.1Å; L23-Q82 PolarHBondContact N-O 3.07Å; F57-Q82 HydrophobicContact CE2-CB 3.72Å; F57-Q82 HydrophobicContact CE2-CG 3.66Å; F57-Q82 HydrophobicContact CZ-CB 4.34Å; F57-Q82 HydrophobicContact CZ-CG 3.83Å |
| 83 | L | 96.2 | Very high | 84.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.4 | -176 | -57.7 | 170.3 | 0 | 0 | 0 | 108.4 | L23 L37 Y40 T41 R58 L81 | L23-L83 HydrophobicContact CB-CD2 3.98Å; L23-L83 HydrophobicContact CD1-CD2 4.03Å; L23-L83 HydrophobicContact CG-CD2 4.39Å; L23-L83 WeakPolarHBondContact O-CA 3.25Å; L37-L83 HydrophobicContact CD2-CB 4.26Å; L37-L83 HydrophobicContact CD2-CD1 4.4Å; L37-L83 HydrophobicContact CD2-CD2 4.46Å; Y40-L83 HydrophobicContact CD1-CD1 3.66Å; Y40-L83 HydrophobicContact CE1-CD1 3.96Å; T41-L83 HydrophobicContact CG2-CD1 3.37Å; R58-L83 HydrophobicContact CB-CB 4.31Å; R58-L83 PolarHBondContact N-O 3.46Å; R58-L83 PolarHBondContact O-N 3.38Å; L81-L83 HydrophobicContact CB-CD2 4.46Å; L81-L83 HydrophobicContact CB-CG 4.5Å |
| 84 | W | 94.3 | Very high | 84.1 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.4 | -178.2 | -63 | 88.3 | 0 | 0 | 0 | 109.6 | L23 L24 A25 V55 F57 F99 | L23-W84 PolarHBondContact O-N 3.22Å; L24-W84 WeakPolarHBondContact CA-O 3.29Å; L24-W84 HydrophobicContact CB-CB 4.27Å; L24-W84 HydrophobicContact CD1-CB 4.11Å; L24-W84 HydrophobicContact CG-CB 4.14Å; A25-W84 PolarHBondContact N-O 3.39Å; V55-W84 HydrophobicContact CG1-CB 4.33Å; V55-W84 HydrophobicContact CG1-CE3 3.67Å; V55-W84 HydrophobicContact CG1-CZ3 4.43Å; F57-W84 HydrophobicContact CB-CE3 4.23Å; F57-W84 HydrophobicContact CB-CZ3 4.12Å; F57-W84 AromaticContact CD2-CD2 3.83Å; F57-W84 HydrophobicContact CD2-CD2 3.83Å; F57-W84 AromaticContact CD2-CE2 3.61Å; F57-W84 AromaticContact CD2-CE3 3.94Å; F57-W84 HydrophobicContact CD2-CE3 3.94Å; F57-W84 AromaticContact CD2-CH2 3.74Å; F57-W84 HydrophobicContact CD2-CH2 3.74Å; F57-W84 AromaticContact CD2-CZ2 3.59Å; F57-W84 HydrophobicContact CD2-CZ2 3.59Å; F57-W84 AromaticContact CD2-CZ3 3.9Å; F57-W84 HydrophobicContact CD2-CZ3 3.9Å; F57-W84 AromaticContact CE2-CE2 3.89Å; F57-W84 HydrophobicContact CE2-CH2 4.25Å; F57-W84 AromaticContact CE2-CZ2 3.75Å; F57-W84 HydrophobicContact CE2-CZ2 3.75Å; F57-W84 HydrophobicContact CG-CH2 4.4Å; F57-W84 HydrophobicContact CG-CZ3 4.35Å; W84-F99 HydrophobicContact CD2-CD1 4.07Å; W84-F99 HydrophobicContact CD2-CE1 4.37Å; W84-F99 AromaticContact CE3-CD1 3.73Å; W84-F99 HydrophobicContact CE3-CD1 3.73Å; W84-F99 AromaticContact CE3-CE1 3.63Å; W84-F99 HydrophobicContact CE3-CE1 3.63Å; W84-F99 HydrophobicContact CH2-CD1 4.4Å; W84-F99 AromaticContact CH2-CE1 3.91Å; W84-F99 HydrophobicContact CH2-CE1 3.91Å; W84-F99 AromaticContact CZ3-CD1 3.9Å; W84-F99 HydrophobicContact CZ3-CD1 3.9Å; W84-F99 AromaticContact CZ3-CE1 3.35Å; W84-F99 HydrophobicContact CZ3-CE1 3.35Å; W84-F99 HydrophobicContact CZ3-CZ 4.23Å |
| 85 | D | 90.8 | Very high | 84 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.7 | 173 | -176.9 | 32.8 | 0 | 0 | 0 | 109.3 | K33 T34 L37 T52 V55 D56 | K33-D85 VanDerWaalsContact CB-OD1 3.29Å; K33-D85 WeakPolarHBondContact CB-OD1 3.39Å; T34-D85 WeakPolarHBondContact CA-OD2 3.5Å; T34-D85 VanDerWaalsContact CB-OD2 3.27Å; T34-D85 WeakPolarHBondContact CB-OD2 3.36Å; T34-D85 WeakPolarHBondContact CG2-OD2 3.24Å; T34-D85 PolarHBondContact N-OD1 2.77Å; T34-D85 PolarHBondContact OG1-OD2 2.96Å; L37-D85 HydrophobicContact CD1-CB 3.72Å; T52-D85 PolarHBondContact OG1-OD2 3.43Å; T52-D85 VanDerWaalsContact OG1-OD2 3.1Å; V55-D85 CarbonylContact C-O 3.37Å; V55-D85 WeakPolarHBondContact CA-O 3.3Å; V55-D85 VanDerWaalsContact CG1-O 3.25Å; V55-D85 WeakPolarHBondContact CG1-O 3.48Å; D56-D85 HydrophobicContact CB-CB 4.11Å; D56-D85 PolarHBondContact N-O 2.96Å; D56-D85 PolarHBondContact O-N 3.16Å |
| 86 | T | 84.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 145.5 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | L24 A25 K33 V55 G88 | L24-T86 HydrophobicContact CD1-CG2 3.73Å; L24-T86 HydrophobicContact CD2-CG2 3.72Å; L24-T86 HydrophobicContact CG-CG2 3.77Å; A25-T86 PolarHBondContact O-N 2.79Å; A25-T86 PolarHBondContact O-OG1 2.74Å; K33-T86 WeakPolarHBondContact CE-O 3.46Å; V55-T86 HydrophobicContact CG2-CG2 4.3Å; T86-G88 PolarHBondContact O-N 3.47Å |
| 87 | A | 81.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 131.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T52 G54 Q89 Y92 | T52-A87 VanDerWaalsContact O-CB 3.29Å; T52-A87 WeakPolarHBondContact O-CB 3.5Å; G54-A87 WeakPolarHBondContact O-CB 3.29Å; G54-A87 PolarHBondContact O-N 3.39Å; A87-Q89 VanDerWaalsContact C-N 3.26Å; A87-Q89 PolarHBondContact O-N 2.85Å; A87-Y92 HydrophobicContact CB-CD2 3.57Å; A87-Y92 HydrophobicContact CB-CE2 4.42Å; A87-Y92 HydrophobicContact CB-CG 3.99Å |
| 88 | G | 72 | Confident | 83.3 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | trans | -86 | 11.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G27 S29 T86 | G27-G88 WeakPolarHBondContact O-CA 3.41Å; S29-G88 PolarHBondContact N-O 3.4Å; S29-G88 WeakPolarHBondContact OG-CA 3.16Å; S29-G88 PolarHBondContact OG-O 2.81Å; T86-G88 PolarHBondContact O-N 3.47Å | ||
| 89 | Q | 74.3 | Confident | 82.9 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -96.7 | 138.7 | 178.5 | -60.8 | -170.6 | 10.6 | 0 | 0 | 110.4 | S29 A87 R91 Y92 | S29-Q89 WeakPolarHBondContact OG-CG 3.36Å; S29-Q89 PolarHBondContact OG-N 3.39Å; A87-Q89 VanDerWaalsContact C-N 3.26Å; A87-Q89 PolarHBondContact O-N 2.85Å; Q89-R91 HydrophobicContact CB-CG 3.86Å; Q89-R91 PolarHBondContact O-N 3.28Å; Q89-Y92 HydrophobicContact CB-CD2 3.93Å; Q89-Y92 HydrophobicContact CB-CE2 4.28Å; Q89-Y92 PolarHBondContact O-N 3.34Å |
| 90 | E | 66 | Low | 82.8 | Confident | 141 Ų | 141 | 46.3 Ų | 46.3 | 66% | 0.659 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -55.2 | -37.3 | -179.8 | 70.6 | -59.5 | 142.5 | 0 | 0 | 113.1 | Y92 R93 | E90-Y92 PolarHBondContact O-N 3.47Å; E90-Y92 VanDerWaalsContact O-N 3.09Å; E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 2.79Å |
| 91 | R | 73.7 | Confident | 82.5 | Confident | 165 Ų | 165 | 53.1 Ų | 53.1 | 62% | 0.623 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -61.6 | -14.8 | 176.7 | 45.9 | 177.4 | -78.5 | 169.6 | -2.6 | 114.9 | Q89 | Q89-R91 HydrophobicContact CB-CG 3.86Å; Q89-R91 PolarHBondContact O-N 3.28Å |
| 92 | Y | 74.8 | Confident | 82.2 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -104.6 | 5.1 | 173.9 | -57.7 | -63.6 | 0 | 0 | 0 | 113.3 | V53 A87 Q89 E90 S94 L95 C96 | V53-Y92 HydrophobicContact CG1-CE1 4.2Å; A87-Y92 HydrophobicContact CB-CD2 3.57Å; A87-Y92 HydrophobicContact CB-CE2 4.42Å; A87-Y92 HydrophobicContact CB-CG 3.99Å; Q89-Y92 HydrophobicContact CB-CD2 3.93Å; Q89-Y92 HydrophobicContact CB-CE2 4.28Å; Q89-Y92 PolarHBondContact O-N 3.34Å; E90-Y92 PolarHBondContact O-N 3.47Å; E90-Y92 VanDerWaalsContact O-N 3.09Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 2.82Å; Y92-L95 WeakPolarHBondContact O-CB 3.15Å; Y92-L95 PolarHBondContact O-N 2.84Å; Y92-C96 PolarHBondContact O-N 2.81Å; Y92-C96 VanDerWaalsContact O-N 3.07Å; Y92-C96 PolarHBondContact O-SG 2.8Å; Y92-C96 VanDerWaalsContact O-SG 3.32Å |
| 93 | R | 71.7 | Confident | 82.1 | Confident | 99 Ų | 99 | 56 Ų | 56 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.1 | -37.2 | -174.5 | -171.3 | 177 | -177.7 | 102.8 | -8.2 | 113.6 | E90 L95 C96 T97 L127 | E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 2.79Å; R93-L95 VanDerWaalsContact C-N 3.32Å; R93-L95 PolarHBondContact O-N 3.46Å; R93-C96 WeakPolarHBondContact O-CB 3.44Å; R93-C96 PolarHBondContact O-N 2.87Å; R93-T97 WeakPolarHBondContact O-CG2 3.48Å; R93-T97 PolarHBondContact O-N 2.79Å; R93-L127 HydrophobicContact CG-CD2 4.22Å |
| 94 | S | 73.8 | Confident | 82.2 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 65% | 0.65 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67 | -31.1 | 177 | 54 | 0 | 0 | 0 | 0 | 113.4 | Y92 T97 | Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 2.82Å; S94-T97 PolarHBondContact O-OG1 2.92Å |
| 95 | L | 72.9 | Confident | 82.3 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.2 | -42.4 | 172.4 | -172.2 | 70.1 | 0 | 0 | 0 | 109.6 | V55 Y92 R93 T97 V98 F99 | V55-L95 HydrophobicContact CG2-CD2 4.17Å; V55-L95 HydrophobicContact CG2-CG 4.36Å; Y92-L95 WeakPolarHBondContact O-CB 3.15Å; Y92-L95 PolarHBondContact O-N 2.84Å; R93-L95 VanDerWaalsContact C-N 3.32Å; R93-L95 PolarHBondContact O-N 3.46Å; L95-T97 PolarHBondContact O-N 2.8Å; L95-V98 PolarHBondContact O-N 3.36Å; L95-F99 HydrophobicContact CD1-CE2 4.26Å; L95-F99 HydrophobicContact CG-CE2 4.06Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å |
| 96 | C | 75.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | Y92 R93 V98 F99 L100 | Y92-C96 PolarHBondContact O-N 2.81Å; Y92-C96 VanDerWaalsContact O-N 3.07Å; Y92-C96 PolarHBondContact O-SG 2.8Å; Y92-C96 VanDerWaalsContact O-SG 3.32Å; R93-C96 WeakPolarHBondContact O-CB 3.44Å; R93-C96 PolarHBondContact O-N 2.87Å; C96-V98 PolarHBondContact O-N 2.95Å; C96-F99 PolarHBondContact O-N 3.32Å; C96-L100 WeakPolarHBondContact O-CG 3.28Å; C96-L100 PolarHBondContact O-N 3.04Å |
| 97 | T | 81.7 | Confident | 83.4 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -30.8 | -176.3 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | R93 S94 L95 F99 L100 L127 | R93-T97 WeakPolarHBondContact O-CG2 3.48Å; R93-T97 PolarHBondContact O-N 2.79Å; S94-T97 PolarHBondContact O-OG1 2.92Å; L95-T97 PolarHBondContact O-N 2.8Å; T97-F99 VanDerWaalsContact C-N 3.34Å; T97-L100 PolarHBondContact O-N 2.76Å; T97-L127 HydrophobicContact CG2-CD1 3.87Å |
| 98 | V | 84.7 | Confident | 84.2 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L95 C96 L100 | L95-V98 PolarHBondContact O-N 3.36Å; C96-V98 PolarHBondContact O-N 2.95Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.85Å |
| 99 | F | 86.7 | Confident | 85.4 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74 | -24.1 | 179.7 | -62.3 | -83 | 0 | 0 | 0 | 113 | L24 V55 W84 L95 C96 T97 R101 D102 A103 | L24-F99 HydrophobicContact CD1-CB 3.54Å; V55-F99 HydrophobicContact CB-CD2 4.38Å; V55-F99 HydrophobicContact CB-CE2 3.98Å; V55-F99 HydrophobicContact CB-CZ 4.19Å; V55-F99 HydrophobicContact CG1-CD2 4.38Å; V55-F99 HydrophobicContact CG1-CE1 4.45Å; V55-F99 HydrophobicContact CG1-CE2 4.3Å; V55-F99 HydrophobicContact CG1-CZ 4.33Å; V55-F99 HydrophobicContact CG2-CD2 3.64Å; V55-F99 HydrophobicContact CG2-CE2 3.49Å; V55-F99 VanDerWaalsContact CG2-CE2 3.49Å; V55-F99 HydrophobicContact CG2-CG 4.48Å; V55-F99 HydrophobicContact CG2-CZ 4.21Å; W84-F99 HydrophobicContact CD2-CD1 4.07Å; W84-F99 HydrophobicContact CD2-CE1 4.37Å; W84-F99 AromaticContact CE3-CD1 3.73Å; W84-F99 HydrophobicContact CE3-CD1 3.73Å; W84-F99 AromaticContact CE3-CE1 3.63Å; W84-F99 HydrophobicContact CE3-CE1 3.63Å; W84-F99 HydrophobicContact CH2-CD1 4.4Å; W84-F99 AromaticContact CH2-CE1 3.91Å; W84-F99 HydrophobicContact CH2-CE1 3.91Å; W84-F99 AromaticContact CZ3-CD1 3.9Å; W84-F99 HydrophobicContact CZ3-CD1 3.9Å; W84-F99 AromaticContact CZ3-CE1 3.35Å; W84-F99 HydrophobicContact CZ3-CE1 3.35Å; W84-F99 HydrophobicContact CZ3-CZ 4.23Å; L95-F99 HydrophobicContact CD1-CE2 4.26Å; L95-F99 HydrophobicContact CG-CE2 4.06Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; C96-F99 PolarHBondContact O-N 3.32Å; T97-F99 VanDerWaalsContact C-N 3.34Å; F99-R101 VanDerWaalsContact C-N 3.31Å; F99-R101 PolarHBondContact O-N 3Å; F99-D102 PolarHBondContact O-N 3.09Å; F99-A103 WeakPolarHBondContact O-CB 3.28Å; F99-A103 PolarHBondContact O-N 3.23Å; F99-A103 VanDerWaalsContact O-N 3.12Å |
| 100 | L | 91.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 178.2 | -61.9 | -174.9 | 0 | 0 | 0 | 112.2 | L24 L26 C96 T97 V98 D102 F106 L127 L128 N131 | L24-L100 HydrophobicContact CD1-CD2 4.15Å; L24-L100 HydrophobicContact CD2-CD2 3.8Å; L26-L100 HydrophobicContact CD1-CD2 4.42Å; C96-L100 WeakPolarHBondContact O-CG 3.28Å; C96-L100 PolarHBondContact O-N 3.04Å; T97-L100 PolarHBondContact O-N 2.76Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.85Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.81Å; L100-F106 HydrophobicContact CB-CE1 4.48Å; L100-F106 HydrophobicContact CD2-CD1 4.28Å; L100-F106 HydrophobicContact CD2-CE1 3.78Å; L100-F106 WeakPolarHBondContact O-CZ 3.37Å; L100-L127 HydrophobicContact CD1-CD1 4.47Å; L100-L127 HydrophobicContact CD1-CD2 3.95Å; L100-L127 HydrophobicContact CD1-CG 3.75Å; L100-L128 HydrophobicContact CD1-CD2 4.27Å; L100-L128 HydrophobicContact CD2-CD2 3.73Å; L100-L128 HydrophobicContact CG-CD2 4.49Å; L100-N131 HydrophobicContact CB-CB 4.16Å; L100-N131 HydrophobicContact CD1-CB 3.91Å |
| 101 | R | 90.5 | Very high | 88.1 | Confident | 161 Ų | 161 | 45.8 Ų | 45.8 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.8 | -35.2 | -178.6 | -170 | -179.4 | -61.9 | 133.9 | 2.7 | 113 | F99 N131 | F99-R101 VanDerWaalsContact C-N 3.31Å; F99-R101 PolarHBondContact O-N 3Å; R101-N131 WeakPolarHBondContact CA-O 3.44Å; R101-N131 PolarHBondContact N-O 2.76Å |
| 102 | D | 90.4 | Very high | 89.3 | Confident | 94 Ų | 94 | 38 Ų | 38 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -88.5 | -17 | -175.2 | -77.5 | 3.4 | 0 | 0 | 0 | 113.2 | K22 F99 L100 | K22-D102 VanDerWaalsContact CD-O 3.3Å; K22-D102 WeakPolarHBondContact CD-O 3.47Å; F99-D102 PolarHBondContact O-N 3.09Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.81Å |
| 103 | A | 95.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | trans | -72.7 | 146 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L24 F99 F106 Y133 | L24-A103 HydrophobicContact CB-CB 3.84Å; L24-A103 HydrophobicContact CD1-CB 4.45Å; F99-A103 WeakPolarHBondContact O-CB 3.28Å; F99-A103 PolarHBondContact O-N 3.23Å; F99-A103 VanDerWaalsContact O-N 3.12Å; A103-F106 HydrophobicContact CB-CD1 4.29Å; A103-F106 HydrophobicContact CB-CE1 3.47Å; A103-F106 VanDerWaalsContact CB-CE1 3.47Å; A103-F106 HydrophobicContact CB-CZ 3.64Å; A103-Y133 WeakPolarHBondContact O-CD1 2.92Å | ||
| 104 | M | 97.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 21% | 0.207 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -101.6 | -18.3 | -176.8 | -60.3 | 172.2 | 69.3 | 0 | 0 | 112.6 | I21 K22 Y133 V192 R195 I196 | I21-M104 HydrophobicContact CD1-CE 3.76Å; I21-M104 HydrophobicContact CD1-SD 4.23Å; I21-M104 HydrophobicContact CG2-SD 4.46Å; K22-M104 HydrophobicContact CB-CG 4.38Å; K22-M104 WeakPolarHBondContact O-CB 3.21Å; K22-M104 PolarHBondContact O-N 3.5Å; M104-Y133 WeakPolarHBondContact O-CE1 3.45Å; M104-Y133 PolarHBondContact O-OH 3.34Å; M104-V192 HydrophobicContact CB-CG1 4.02Å; M104-V192 HydrophobicContact CE-CG1 4.14Å; M104-V192 WeakPolarHBondContact O-CG2 2.87Å; M104-R195 PolarHBondContact O-NH2 3.27Å; M104-I196 HydrophobicContact CE-CD1 3.48Å; M104-I196 VanDerWaalsContact CE-CD1 3.48Å; M104-I196 HydrophobicContact CE-CG1 4.05Å |
| 105 | G | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 158.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L23 L24 D138 | L23-G105 WeakPolarHBondContact CA-O 3.47Å; L24-G105 PolarHBondContact N-O 3.3Å; G105-D138 CarbonylContact C-O 3.53Å; G105-D138 VanDerWaalsContact CA-O 3.27Å; G105-D138 WeakPolarHBondContact CA-O 3.29Å |
| 106 | F | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.2 | -169.6 | -53.3 | -88.5 | 0 | 0 | 0 | 113.2 | L24 L26 L100 A103 L128 A132 Y133 P137 D138 V139 V140 | L24-F106 HydrophobicContact CB-CD1 3.97Å; L24-F106 HydrophobicContact CB-CE1 4.21Å; L24-F106 HydrophobicContact CD2-CD1 3.98Å; L24-F106 HydrophobicContact CD2-CE1 4.37Å; L24-F106 CarbonylContact O-C 3.56Å; L24-F106 VanDerWaalsContact O-CA 3.28Å; L24-F106 WeakPolarHBondContact O-CA 3.49Å; L26-F106 HydrophobicContact CD2-CB 3.8Å; L26-F106 HydrophobicContact CD2-CD1 4.11Å; L26-F106 HydrophobicContact CD2-CG 4.37Å; L100-F106 HydrophobicContact CB-CE1 4.48Å; L100-F106 HydrophobicContact CD2-CD1 4.28Å; L100-F106 HydrophobicContact CD2-CE1 3.78Å; L100-F106 WeakPolarHBondContact O-CZ 3.37Å; A103-F106 HydrophobicContact CB-CD1 4.29Å; A103-F106 HydrophobicContact CB-CE1 3.47Å; A103-F106 VanDerWaalsContact CB-CE1 3.47Å; A103-F106 HydrophobicContact CB-CZ 3.64Å; F106-L128 HydrophobicContact CB-CD1 4.12Å; F106-L128 HydrophobicContact CB-CD2 4.43Å; F106-L128 HydrophobicContact CD1-CD2 3.46Å; F106-L128 VanDerWaalsContact CD1-CD2 3.46Å; F106-L128 HydrophobicContact CD2-CD2 4.16Å; F106-L128 HydrophobicContact CE1-CD2 3.63Å; F106-L128 HydrophobicContact CE2-CD2 4.32Å; F106-L128 HydrophobicContact CG-CD1 4.18Å; F106-L128 HydrophobicContact CG-CD2 3.74Å; F106-L128 HydrophobicContact CZ-CD2 4.07Å; F106-A132 HydrophobicContact CE2-CB 3.92Å; F106-A132 HydrophobicContact CZ-CB 3.87Å; F106-Y133 HydrophobicContact CE2-CD1 4.42Å; F106-Y133 HydrophobicContact CE2-CE1 4.01Å; F106-P137 HydrophobicContact CD2-CB 3.87Å; F106-P137 HydrophobicContact CD2-CG 4.42Å; F106-P137 HydrophobicContact CE2-CB 3.62Å; F106-P137 HydrophobicContact CE2-CG 4.36Å; F106-D138 PolarHBondContact N-O 3.06Å; F106-V139 HydrophobicContact CB-CG1 4.35Å; F106-V139 HydrophobicContact CB-CG2 4.15Å; F106-V139 HydrophobicContact CD2-CG2 4.2Å; F106-V139 WeakPolarHBondContact O-CA 3.35Å; F106-V140 PolarHBondContact O-N 3.48Å |
| 107 | L | 98.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 106 | 163.5 | -63.4 | 175 | 0 | 0 | 0 | 108 | L24 A25 L26 L36 L37 V109 V140 V142 V185 L188 | L24-L107 PolarHBondContact O-N 2.98Å; A25-L107 WeakPolarHBondContact CA-O 3.49Å; A25-L107 HydrophobicContact CB-CB 4.37Å; L26-L107 WeakPolarHBondContact CD2-O 3.39Å; L26-L107 PolarHBondContact N-O 3.05Å; L36-L107 HydrophobicContact CD2-CD1 4.02Å; L37-L107 HydrophobicContact CD2-CD1 4.47Å; L107-V109 HydrophobicContact CB-CG2 4.13Å; L107-V109 PolarHBondContact O-N 3.41Å; L107-V140 HydrophobicContact CD2-CB 4.13Å; L107-V142 HydrophobicContact CB-CG2 4.43Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å; L107-V185 HydrophobicContact CD1-CG2 4.2Å; L107-L188 HydrophobicContact CD2-CB 4.18Å; L107-L188 HydrophobicContact CD2-CD2 3.76Å; L107-L188 HydrophobicContact CG-CD2 3.79Å |
| 108 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 102.5 | 173.7 | 177.8 | 56.2 | 0 | 0 | 0 | 108.7 | L26 C121 W124 M125 V139 V140 L141 V142 | L26-L108 HydrophobicContact CG-CD1 4.12Å; L108-C121 HydrophobicContact CD2-CB 4.08Å; L108-W124 HydrophobicContact CD1-CB 3.49Å; L108-W124 VanDerWaalsContact CD1-CB 3.49Å; L108-W124 HydrophobicContact CD1-CG 4.09Å; L108-M125 HydrophobicContact CD2-CB 4.43Å; L108-M125 HydrophobicContact CD2-CE 4Å; L108-V139 HydrophobicContact CB-CG1 3.75Å; L108-V140 PolarHBondContact N-O 3.05Å; L108-L141 HydrophobicContact CB-CD1 4.41Å; L108-L141 HydrophobicContact CD2-CD1 4.05Å; L108-L141 HydrophobicContact CG-CD1 4Å; L108-V142 PolarHBondContact O-N 2.97Å |
| 109 | V | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.7 | -169.8 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | L26 G27 V31 K33 L107 V142 N144 | L26-V109 PolarHBondContact O-N 3.2Å; G27-V109 WeakPolarHBondContact CA-O 3.17Å; V31-V109 HydrophobicContact CB-CG1 4.38Å; V31-V109 HydrophobicContact CG2-CB 3.97Å; V31-V109 HydrophobicContact CG2-CG1 3.9Å; K33-V109 HydrophobicContact CG-CB 4.08Å; K33-V109 HydrophobicContact CG-CG2 4.18Å; L107-V109 HydrophobicContact CB-CG2 4.13Å; L107-V109 PolarHBondContact O-N 3.41Å; V109-V142 WeakPolarHBondContact CA-O 3.34Å; V109-V142 HydrophobicContact CG1-CB 4.45Å; V109-V142 HydrophobicContact CG1-CG1 4.41Å; V109-V142 HydrophobicContact CG2-CB 4.27Å; V109-N144 HydrophobicContact CG1-CB 3.87Å |
| 110 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 168.6 | 165.7 | 71.7 | -85.7 | 0 | 0 | 0 | 110.6 | L112 F118 L141 V142 G143 N144 V154 A159 Y170 | F110-L112 HydrophobicContact CE2-CD2 3.83Å; F110-L112 HydrophobicContact CE2-CG 4.43Å; F110-L112 HydrophobicContact CZ-CD2 4.17Å; F110-F118 HydrophobicContact CD1-CD2 4.32Å; F110-F118 HydrophobicContact CD2-CB 3.73Å; F110-F118 AromaticContact CD2-CD2 3.95Å; F110-F118 HydrophobicContact CD2-CD2 3.95Å; F110-F118 HydrophobicContact CD2-CG 4.3Å; F110-F118 HydrophobicContact CE1-CD2 4.11Å; F110-F118 HydrophobicContact CE2-CB 4.15Å; F110-F118 AromaticContact CE2-CD2 3.71Å; F110-F118 HydrophobicContact CE2-CD2 3.71Å; F110-F118 HydrophobicContact CE2-CG 4.28Å; F110-F118 HydrophobicContact CG-CB 4.25Å; F110-F118 HydrophobicContact CG-CD2 4.24Å; F110-F118 AromaticContact CZ-CD2 3.81Å; F110-F118 HydrophobicContact CZ-CD2 3.81Å; F110-F118 HydrophobicContact CZ-CE2 4.32Å; F110-L141 HydrophobicContact CD1-CD1 3.87Å; F110-L141 HydrophobicContact CD1-CG 4.27Å; F110-L141 HydrophobicContact CE1-CD1 4.02Å; F110-L141 HydrophobicContact CE1-CD2 4.22Å; F110-L141 HydrophobicContact CE1-CG 3.91Å; F110-V142 VanDerWaalsContact CD1-O 3.32Å; F110-V142 WeakPolarHBondContact CD1-O 3.26Å; F110-V142 PolarHBondContact N-O 3.43Å; F110-G143 VanDerWaalsContact CZ-CA 3.49Å; F110-N144 PolarHBondContact O-N 2.86Å; F110-V154 HydrophobicContact CE2-CB 4.18Å; F110-V154 HydrophobicContact CE2-CG1 3.93Å; F110-V154 HydrophobicContact CE2-CG2 4.25Å; F110-V154 HydrophobicContact CZ-CG1 4.44Å; F110-A159 HydrophobicContact CZ-CB 3.97Å; F110-Y170 AromaticContact CE1-CE2 3.8Å; F110-Y170 HydrophobicContact CE1-CE2 3.8Å; F110-Y170 AromaticContact CZ-CE2 3.81Å; F110-Y170 HydrophobicContact CZ-CE2 3.81Å |
| 111 | D | 98.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.9 | -179.6 | 174.5 | 6.7 | 0 | 0 | 0 | 110.4 | V31 T113 N114 S117 K145 | V31-D111 HydrophobicContact CB-CB 4.12Å; V31-D111 HydrophobicContact CG1-CB 4.06Å; D111-T113 PolarHBondContact O-N 3.09Å; D111-T113 VanDerWaalsContact O-N 3.16Å; D111-T113 PolarHBondContact OD1-N 3.47Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 VanDerWaalsContact OD1-OG1 3.08Å; D111-T113 PolarHBondContact OD2-OG1 3.35Å; D111-N114 HydrophobicContact CB-CB 3.96Å; D111-N114 CarbonylContact O-C 3.53Å; D111-N114 PolarHBondContact O-N 3.48Å; D111-S117 PolarHBondContact N-OG 2.79Å; D111-S117 PolarHBondContact O-OG 2.99Å; D111-K145 VanDerWaalsContact CG-CE 3.45Å; D111-K145 VanDerWaalsContact OD1-CD 3.22Å; D111-K145 WeakPolarHBondContact OD1-CD 3.32Å; D111-K145 IonicContact OD1-NZ 3.72Å; D111-K145 WeakPolarHBondContact OD2-CE 3.5Å; D111-K145 IonicContact OD2-NZ 3.9Å; D111-K145 PolarHBondContact OD2-NZ 3.26Å |
| 112 | L | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.8 | 179.7 | -71 | 167.6 | 0 | 0 | 0 | 113.2 | F110 G143 N144 F146 Q153 V154 E172 | F110-L112 HydrophobicContact CE2-CD2 3.83Å; F110-L112 HydrophobicContact CE2-CG 4.43Å; F110-L112 HydrophobicContact CZ-CD2 4.17Å; L112-G143 WeakPolarHBondContact CD1-O 3.21Å; L112-N144 VanDerWaalsContact CB-O 3.31Å; L112-N144 WeakPolarHBondContact CB-O 3.22Å; L112-N144 WeakPolarHBondContact CD1-O 3.46Å; L112-N144 VanDerWaalsContact CG-O 3.24Å; L112-N144 WeakPolarHBondContact CG-O 3.38Å; L112-N144 PolarHBondContact N-O 2.69Å; L112-F146 HydrophobicContact CD1-CB 4.05Å; L112-F146 HydrophobicContact CD1-CD2 4.31Å; L112-Q153 PolarHBondContact O-N 3.14Å; L112-V154 HydrophobicContact CD2-CB 4.35Å; L112-V154 PolarHBondContact O-N 2.89Å; L112-V154 VanDerWaalsContact O-N 3.09Å; L112-E172 HydrophobicContact CD1-CB 4.36Å; L112-E172 HydrophobicContact CD1-CG 4.15Å; L112-E172 HydrophobicContact CD2-CG 4.46Å |
| 113 | T | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.1 | 176.2 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | D111 L148 E151 Q153 | D111-T113 PolarHBondContact O-N 3.09Å; D111-T113 VanDerWaalsContact O-N 3.16Å; D111-T113 PolarHBondContact OD1-N 3.47Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 VanDerWaalsContact OD1-OG1 3.08Å; D111-T113 PolarHBondContact OD2-OG1 3.35Å; T113-L148 HydrophobicContact CG2-CB 3.59Å; T113-L148 HydrophobicContact CG2-CD1 3.96Å; T113-L148 HydrophobicContact CG2-CG 4.41Å; T113-E151 WeakPolarHBondContact CA-O 3.5Å; T113-E151 VanDerWaalsContact CB-O 3.31Å; T113-E151 WeakPolarHBondContact CB-O 3.47Å; T113-E151 HydrophobicContact CG2-CB 3.7Å; T113-Q153 WeakPolarHBondContact O-CG 3.32Å; T113-Q153 PolarHBondContact O-NE2 2.93Å; T113-Q153 PolarHBondContact O-OE1 3.31Å; T113-Q153 VanDerWaalsContact O-OE1 3.1Å |
| 114 | N | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 31 Ų | 31 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | trans | -134.7 | 97.3 | -179.1 | -178.9 | -15.7 | 0 | 0 | 0 | 111.4 | D111 N116 S117 F118 | D111-N114 HydrophobicContact CB-CB 3.96Å; D111-N114 CarbonylContact O-C 3.53Å; D111-N114 PolarHBondContact O-N 3.48Å; N114-N116 PolarHBondContact O-N 2.7Å; N114-N116 WeakPolarHBondContact OD1-CB 3.47Å; N114-N116 PolarHBondContact OD1-N 3.1Å; N114-N116 VanDerWaalsContact OD1-N 3.08Å; N114-S117 PolarHBondContact O-N 2.86Å; N114-S117 VanDerWaalsContact O-N 3.12Å; N114-S117 PolarHBondContact O-OG 2.9Å; N114-S117 PolarHBondContact OD1-N 2.87Å; N114-F118 PolarHBondContact O-N 2.88Å | ||
| 115 | E | 97.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 29.6 Ų | 29.6 | 40% | 0.402 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.4 | -30.1 | -179 | -159.1 | -160.8 | 172.5 | 0 | 0 | 113.6 | F118 K119 Q153 | E115-F118 WeakPolarHBondContact O-CB 3.28Å; E115-F118 PolarHBondContact O-N 3.29Å; E115-K119 VanDerWaalsContact CD-CE 3.46Å; E115-K119 WeakPolarHBondContact O-CG 3.48Å; E115-K119 PolarHBondContact O-N 3.39Å; E115-K119 WeakPolarHBondContact OE1-CE 3.37Å; E115-K119 IonicContact OE1-NZ 2.7Å; E115-K119 PolarHBondContact OE1-NZ 3.38Å; E115-K119 IonicContact OE2-NZ 2.66Å; E115-K119 PolarHBondContact OE2-NZ 2.7Å; E115-Q153 HydrophobicContact CB-CB 4.32Å |
| 116 | N | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 34.3 Ų | 34.3 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 178 | -68.2 | -35.9 | 0 | 0 | 0 | 111.4 | N114 F118 K119 N120 | N114-N116 PolarHBondContact O-N 2.7Å; N114-N116 WeakPolarHBondContact OD1-CB 3.47Å; N114-N116 PolarHBondContact OD1-N 3.1Å; N114-N116 VanDerWaalsContact OD1-N 3.08Å; N116-F118 PolarHBondContact O-N 3.32Å; N116-K119 PolarHBondContact O-N 2.86Å; N116-N120 WeakPolarHBondContact O-CB 3.42Å; N116-N120 VanDerWaalsContact O-CG 3.22Å; N116-N120 PolarHBondContact O-N 2.88Å; N116-N120 PolarHBondContact O-ND2 2.91Å |
| 117 | S | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -33.3 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | D28 D111 N114 | D28-S117 WeakPolarHBondContact OD2-CA 3.3Å; D111-S117 PolarHBondContact N-OG 2.79Å; D111-S117 PolarHBondContact O-OG 2.99Å; N114-S117 PolarHBondContact O-N 2.86Å; N114-S117 VanDerWaalsContact O-N 3.12Å; N114-S117 PolarHBondContact O-OG 2.9Å; N114-S117 PolarHBondContact OD1-N 2.87Å |
| 118 | F | 98.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -49.9 | 173.1 | 172.2 | -111.5 | 0 | 0 | 0 | 111.6 | F110 N114 E115 N116 N120 C121 V154 A158 A159 M162 | F110-F118 HydrophobicContact CD1-CD2 4.32Å; F110-F118 HydrophobicContact CD2-CB 3.73Å; F110-F118 AromaticContact CD2-CD2 3.95Å; F110-F118 HydrophobicContact CD2-CD2 3.95Å; F110-F118 HydrophobicContact CD2-CG 4.3Å; F110-F118 HydrophobicContact CE1-CD2 4.11Å; F110-F118 HydrophobicContact CE2-CB 4.15Å; F110-F118 AromaticContact CE2-CD2 3.71Å; F110-F118 HydrophobicContact CE2-CD2 3.71Å; F110-F118 HydrophobicContact CE2-CG 4.28Å; F110-F118 HydrophobicContact CG-CB 4.25Å; F110-F118 HydrophobicContact CG-CD2 4.24Å; F110-F118 AromaticContact CZ-CD2 3.81Å; F110-F118 HydrophobicContact CZ-CD2 3.81Å; F110-F118 HydrophobicContact CZ-CE2 4.32Å; N114-F118 PolarHBondContact O-N 2.88Å; E115-F118 WeakPolarHBondContact O-CB 3.28Å; E115-F118 PolarHBondContact O-N 3.29Å; N116-F118 PolarHBondContact O-N 3.32Å; F118-N120 PolarHBondContact O-N 3.33Å; F118-C121 WeakPolarHBondContact O-CB 3.35Å; F118-C121 PolarHBondContact O-N 2.78Å; F118-V154 HydrophobicContact CB-CG1 4.44Å; F118-V154 HydrophobicContact CB-CG2 3.71Å; F118-V154 HydrophobicContact CD1-CG1 4.01Å; F118-V154 HydrophobicContact CD1-CG2 4.26Å; F118-V154 HydrophobicContact CD2-CG1 3.91Å; F118-V154 HydrophobicContact CE1-CG1 4.21Å; F118-V154 HydrophobicContact CE2-CG1 4.11Å; F118-V154 HydrophobicContact CG-CG1 3.85Å; F118-V154 HydrophobicContact CG-CG2 3.98Å; F118-V154 HydrophobicContact CZ-CG1 4.25Å; F118-A158 HydrophobicContact CE1-CB 4.33Å; F118-A158 HydrophobicContact CZ-CB 4.28Å; F118-A158 WeakPolarHBondContact CZ-O 3.42Å; F118-A159 HydrophobicContact CE2-CB 4.21Å; F118-M162 HydrophobicContact CD1-CE 3.97Å; F118-M162 HydrophobicContact CD2-CE 3.8Å; F118-M162 HydrophobicContact CD2-SD 3.73Å; F118-M162 HydrophobicContact CE1-CE 3.6Å; F118-M162 HydrophobicContact CE2-CB 3.77Å; F118-M162 HydrophobicContact CE2-CE 3.41Å; F118-M162 VanDerWaalsContact CE2-CE 3.41Å; F118-M162 HydrophobicContact CE2-CG 4.16Å; F118-M162 HydrophobicContact CE2-SD 3.3Å; F118-M162 WeakPolarHBondContact CE2-SD 3.29Å; F118-M162 HydrophobicContact CG-CE 4.07Å; F118-M162 HydrophobicContact CZ-CB 3.71Å; F118-M162 HydrophobicContact CZ-CE 3.3Å; F118-M162 HydrophobicContact CZ-CG 4.37Å; F118-M162 HydrophobicContact CZ-SD 3.81Å; F118-M162 VanDerWaalsContact O-CE 3.27Å; F118-M162 WeakPolarHBondContact O-CE 3.45Å |
| 119 | K | 97.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 36.3 Ų | 36.3 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57 | -39.2 | 177.1 | -72 | 168.9 | -179 | 161.4 | 0 | 112.1 | E115 N116 C121 | E115-K119 VanDerWaalsContact CD-CE 3.46Å; E115-K119 WeakPolarHBondContact O-CG 3.48Å; E115-K119 PolarHBondContact O-N 3.39Å; E115-K119 WeakPolarHBondContact OE1-CE 3.37Å; E115-K119 IonicContact OE1-NZ 2.7Å; E115-K119 PolarHBondContact OE1-NZ 3.38Å; E115-K119 IonicContact OE2-NZ 2.66Å; E115-K119 PolarHBondContact OE2-NZ 2.7Å; N116-K119 PolarHBondContact O-N 2.86Å; K119-C121 PolarHBondContact O-N 3.17Å |
| 120 | N | 96.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.7 | -179.6 | -70.7 | -18.4 | 0 | 0 | 0 | 113.8 | D28 N116 F118 H122 A123 W124 | D28-N120 PolarHBondContact OD2-ND2 3.42Å; N116-N120 WeakPolarHBondContact O-CB 3.42Å; N116-N120 VanDerWaalsContact O-CG 3.22Å; N116-N120 PolarHBondContact O-N 2.88Å; N116-N120 PolarHBondContact O-ND2 2.91Å; F118-N120 PolarHBondContact O-N 3.33Å; N120-H122 PolarHBondContact O-N 2.96Å; N120-A123 PolarHBondContact O-N 2.83Å; N120-W124 VanDerWaalsContact O-CD1 3.23Å; N120-W124 PolarHBondContact O-N 2.98Å; N120-W124 VanDerWaalsContact O-N 3.09Å |
| 121 | C | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -33.3 | 175.6 | -73.8 | 0 | 0 | 0 | 0 | 113.3 | L108 F118 K119 W124 M125 L141 M162 | L108-C121 HydrophobicContact CD2-CB 4.08Å; F118-C121 WeakPolarHBondContact O-CB 3.35Å; F118-C121 PolarHBondContact O-N 2.78Å; K119-C121 PolarHBondContact O-N 3.17Å; C121-W124 PolarHBondContact O-N 3.42Å; C121-M125 WeakPolarHBondContact O-CB 3.35Å; C121-M125 PolarHBondContact O-N 3.42Å; C121-L141 HydrophobicContact CB-CD1 4.35Å; C121-M162 HydrophobicContact CB-SD 3.64Å |
| 122 | H | 96.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.2 | -75.8 | -75.4 | 0 | 0 | 0 | 112.1 | N120 W124 M125 N126 | N120-H122 PolarHBondContact O-N 2.96Å; H122-W124 VanDerWaalsContact C-N 3.32Å; H122-W124 PolarHBondContact O-N 2.89Å; H122-M125 PolarHBondContact O-N 3.22Å; H122-N126 VanDerWaalsContact O-CG 3.23Å; H122-N126 PolarHBondContact O-N 2.81Å; H122-N126 PolarHBondContact O-OD1 2.84Å |
| 123 | A | 94.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 48 Ų | 48 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N120 L127 | N120-A123 PolarHBondContact O-N 2.83Å; A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.16Å |
| 124 | W | 94.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 172.1 | -74.4 | 112.1 | 0 | 0 | 0 | 112.4 | L26 G27 D28 L108 N120 C121 H122 L127 L128 | L26-W124 HydrophobicContact CD1-CE3 3.87Å; G27-W124 VanDerWaalsContact C-CE2 3.48Å; G27-W124 WeakPolarHBondContact O-CZ2 3.22Å; D28-W124 PolarHBondContact OD1-NE1 2.94Å; L108-W124 HydrophobicContact CD1-CB 3.49Å; L108-W124 VanDerWaalsContact CD1-CB 3.49Å; L108-W124 HydrophobicContact CD1-CG 4.09Å; N120-W124 VanDerWaalsContact O-CD1 3.23Å; N120-W124 PolarHBondContact O-N 2.98Å; N120-W124 VanDerWaalsContact O-N 3.09Å; C121-W124 PolarHBondContact O-N 3.42Å; H122-W124 VanDerWaalsContact C-N 3.32Å; H122-W124 PolarHBondContact O-N 2.89Å; W124-L127 HydrophobicContact CE3-CD2 3.86Å; W124-L127 HydrophobicContact CZ3-CD2 3.82Å; W124-L127 WeakPolarHBondContact O-CB 3.49Å; W124-L127 PolarHBondContact O-N 3.2Å; W124-L128 WeakPolarHBondContact O-CG 3.27Å; W124-L128 PolarHBondContact O-N 3.28Å |
| 125 | M | 96 | Very high | 95.4 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.2 | -171.7 | 63.1 | 78 | 0 | 0 | 111.4 | L108 C121 H122 L127 L128 C129 V139 L166 V168 | L108-M125 HydrophobicContact CD2-CB 4.43Å; L108-M125 HydrophobicContact CD2-CE 4Å; C121-M125 WeakPolarHBondContact O-CB 3.35Å; C121-M125 PolarHBondContact O-N 3.42Å; H122-M125 PolarHBondContact O-N 3.22Å; M125-L127 VanDerWaalsContact C-N 3.27Å; M125-L127 PolarHBondContact O-N 2.84Å; M125-L128 WeakPolarHBondContact O-CA 3.27Å; M125-L128 WeakPolarHBondContact O-CB 3.45Å; M125-L128 PolarHBondContact O-N 3.39Å; M125-L128 HydrophobicContact SD-CB 4.47Å; M125-L128 HydrophobicContact SD-CD1 4.09Å; M125-C129 PolarHBondContact O-N 3.32Å; M125-C129 PolarHBondContact O-SG 2.66Å; M125-C129 VanDerWaalsContact O-SG 3.38Å; M125-V139 HydrophobicContact CE-CB 4.11Å; M125-V139 HydrophobicContact CE-CG1 3.85Å; M125-V139 HydrophobicContact CE-CG2 4.17Å; M125-V139 HydrophobicContact SD-CG2 4.13Å; M125-L166 HydrophobicContact CB-CD1 4.47Å; M125-L166 HydrophobicContact CB-CD2 4.15Å; M125-L166 HydrophobicContact CE-CB 4.23Å; M125-L166 HydrophobicContact CE-CD1 4.05Å; M125-L166 HydrophobicContact CG-CD2 4.06Å; M125-V168 HydrophobicContact CE-CG1 3.84Å; M125-V168 HydrophobicContact CE-CG2 4.38Å |
| 126 | N | 94.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.5 | -68.4 | -13.1 | 0 | 0 | 0 | 111.3 | H122 L128 C129 D130 | H122-N126 VanDerWaalsContact O-CG 3.23Å; H122-N126 PolarHBondContact O-N 2.81Å; H122-N126 PolarHBondContact O-OD1 2.84Å; N126-L128 VanDerWaalsContact C-N 3.3Å; N126-L128 PolarHBondContact O-N 3.13Å; N126-C129 PolarHBondContact O-N 3.47Å; N126-D130 WeakPolarHBondContact O-CB 3.5Å; N126-D130 VanDerWaalsContact O-CG 3.23Å; N126-D130 PolarHBondContact O-N 3Å |
| 127 | L | 92 | Very high | 95.2 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 174.9 | -177.5 | 65.7 | 0 | 0 | 0 | 112.3 | R93 T97 L100 A123 W124 M125 D130 N131 | R93-L127 HydrophobicContact CG-CD2 4.22Å; T97-L127 HydrophobicContact CG2-CD1 3.87Å; L100-L127 HydrophobicContact CD1-CD1 4.47Å; L100-L127 HydrophobicContact CD1-CD2 3.95Å; L100-L127 HydrophobicContact CD1-CG 3.75Å; A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.16Å; W124-L127 HydrophobicContact CE3-CD2 3.86Å; W124-L127 HydrophobicContact CZ3-CD2 3.82Å; W124-L127 WeakPolarHBondContact O-CB 3.49Å; W124-L127 PolarHBondContact O-N 3.2Å; M125-L127 VanDerWaalsContact C-N 3.27Å; M125-L127 PolarHBondContact O-N 2.84Å; L127-D130 PolarHBondContact O-N 2.94Å; L127-N131 WeakPolarHBondContact CD1-ND2 3.5Å; L127-N131 WeakPolarHBondContact O-CB 3.3Å; L127-N131 PolarHBondContact O-N 3.1Å; L127-N131 PolarHBondContact O-ND2 2.88Å |
| 128 | L | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 176 | -70.4 | 176.4 | 0 | 0 | 0 | 111.2 | L26 L100 F106 W124 M125 N126 D130 N131 A132 P137 V139 | L26-L128 HydrophobicContact CD1-CD1 4.01Å; L26-L128 HydrophobicContact CD1-CD2 3.55Å; L26-L128 HydrophobicContact CD1-CG 3.71Å; L26-L128 HydrophobicContact CD2-CD1 4.14Å; L26-L128 HydrophobicContact CD2-CD2 4.2Å; L100-L128 HydrophobicContact CD1-CD2 4.27Å; L100-L128 HydrophobicContact CD2-CD2 3.73Å; L100-L128 HydrophobicContact CG-CD2 4.49Å; F106-L128 HydrophobicContact CB-CD1 4.12Å; F106-L128 HydrophobicContact CB-CD2 4.43Å; F106-L128 HydrophobicContact CD1-CD2 3.46Å; F106-L128 VanDerWaalsContact CD1-CD2 3.46Å; F106-L128 HydrophobicContact CD2-CD2 4.16Å; F106-L128 HydrophobicContact CE1-CD2 3.63Å; F106-L128 HydrophobicContact CE2-CD2 4.32Å; F106-L128 HydrophobicContact CG-CD1 4.18Å; F106-L128 HydrophobicContact CG-CD2 3.74Å; F106-L128 HydrophobicContact CZ-CD2 4.07Å; W124-L128 WeakPolarHBondContact O-CG 3.27Å; W124-L128 PolarHBondContact O-N 3.28Å; M125-L128 WeakPolarHBondContact O-CA 3.27Å; M125-L128 WeakPolarHBondContact O-CB 3.45Å; M125-L128 PolarHBondContact O-N 3.39Å; M125-L128 HydrophobicContact SD-CB 4.47Å; M125-L128 HydrophobicContact SD-CD1 4.09Å; N126-L128 VanDerWaalsContact C-N 3.3Å; N126-L128 PolarHBondContact O-N 3.13Å; L128-D130 PolarHBondContact O-N 3.41Å; L128-N131 PolarHBondContact O-N 2.92Å; L128-N131 VanDerWaalsContact O-N 3.13Å; L128-A132 WeakPolarHBondContact O-CB 3.41Å; L128-A132 PolarHBondContact O-N 2.93Å; L128-P137 HydrophobicContact CB-CG 4.09Å; L128-V139 HydrophobicContact CD1-CG1 4.36Å; L128-V139 HydrophobicContact CD1-CG2 3.84Å |
| 129 | C | 94.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.8 | -37.4 | 178.5 | -66 | 0 | 0 | 0 | 0 | 111.9 | M125 N126 D135 | M125-C129 PolarHBondContact O-N 3.32Å; M125-C129 PolarHBondContact O-SG 2.66Å; M125-C129 VanDerWaalsContact O-SG 3.38Å; N126-C129 PolarHBondContact O-N 3.47Å; C129-D135 PolarHBondContact SG-O 2.7Å |
| 130 | D | 93.7 | Very high | 95.3 | Very high | 130 Ų | 130 | 50.7 Ų | 50.7 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -77.9 | -21.9 | -179 | -68.5 | -18 | 0 | 0 | 0 | 114.4 | N126 L127 L128 | N126-D130 WeakPolarHBondContact O-CB 3.5Å; N126-D130 VanDerWaalsContact O-CG 3.23Å; N126-D130 PolarHBondContact O-N 3Å; L127-D130 PolarHBondContact O-N 2.94Å; L128-D130 PolarHBondContact O-N 3.41Å |
| 131 | N | 93 | Very high | 95.4 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -132.1 | -12.8 | -166.2 | -64 | -93.9 | 0 | 0 | 0 | 115.6 | L100 R101 L127 L128 | L100-N131 HydrophobicContact CB-CB 4.16Å; L100-N131 HydrophobicContact CD1-CB 3.91Å; R101-N131 WeakPolarHBondContact CA-O 3.44Å; R101-N131 PolarHBondContact N-O 2.76Å; L127-N131 WeakPolarHBondContact CD1-ND2 3.5Å; L127-N131 WeakPolarHBondContact O-CB 3.3Å; L127-N131 PolarHBondContact O-N 3.1Å; L127-N131 PolarHBondContact O-ND2 2.88Å; L128-N131 PolarHBondContact O-N 2.92Å; L128-N131 VanDerWaalsContact O-N 3.13Å |
| 132 | A | 95.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -73.6 | -176.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F106 L128 C134 P137 | F106-A132 HydrophobicContact CE2-CB 3.92Å; F106-A132 HydrophobicContact CZ-CB 3.87Å; L128-A132 WeakPolarHBondContact O-CB 3.41Å; L128-A132 PolarHBondContact O-N 2.93Å; A132-C134 PolarHBondContact O-N 3.13Å; A132-P137 HydrophobicContact CB-CB 3.84Å; A132-P137 HydrophobicContact CB-CG 3.95Å |
| 133 | Y | 93.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -69.2 | -12.9 | -179.9 | 61.4 | -90.8 | 0 | 0 | 0 | 114.2 | A103 M104 F106 P137 D138 R195 | A103-Y133 WeakPolarHBondContact O-CD1 2.92Å; M104-Y133 WeakPolarHBondContact O-CE1 3.45Å; M104-Y133 PolarHBondContact O-OH 3.34Å; F106-Y133 HydrophobicContact CE2-CD1 4.42Å; F106-Y133 HydrophobicContact CE2-CE1 4.01Å; Y133-P137 HydrophobicContact CE1-CB 3.97Å; Y133-D138 PolarHBondContact OH-N 3.33Å; Y133-D138 PolarHBondContact OH-OD2 2.99Å; Y133-R195 PolarHBondContact OH-NE 2.95Å; Y133-R195 PolarHBondContact OH-NH2 3.39Å |
| 134 | C | 93.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 34% | 0.338 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -162.4 | 169.6 | 171.4 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | A132 R136 P137 | A132-C134 PolarHBondContact O-N 3.13Å; C134-R136 PolarHBondContact O-N 3.02Å; C134-R136 PolarHBondContact SG-O 3.21Å; C134-P137 WeakPolarHBondContact O-CD 3.47Å |
| 135 | D | 93.8 | Very high | 96 | Very high | 132 Ų | 132 | 42.2 Ų | 42.2 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -65.5 | -16.5 | 180 | -53 | -13.3 | 0 | 0 | 0 | 114.1 | C129 | C129-D135 PolarHBondContact SG-O 2.7Š|
| 136 | R | 94.9 | Very high | 96.1 | Very high | 214 Ų | 214 | 44.5 Ų | 44.5 | 81% | 0.808 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -130.3 | 71.6 | 178.6 | -67.4 | -173.7 | 179.2 | 178.7 | -0.7 | 110.5 | C134 | C134-R136 PolarHBondContact O-N 3.02Å; C134-R136 PolarHBondContact SG-O 3.21Å |
| 137 | P | 97.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | trans | -69.8 | 162.3 | -179.6 | 27.9 | -30.4 | 0 | 0 | 0 | 111.8 | F106 L128 A132 Y133 C134 V139 | F106-P137 HydrophobicContact CD2-CB 3.87Å; F106-P137 HydrophobicContact CD2-CG 4.42Å; F106-P137 HydrophobicContact CE2-CB 3.62Å; F106-P137 HydrophobicContact CE2-CG 4.36Å; L128-P137 HydrophobicContact CB-CG 4.09Å; A132-P137 HydrophobicContact CB-CB 3.84Å; A132-P137 HydrophobicContact CB-CG 3.95Å; Y133-P137 HydrophobicContact CE1-CB 3.97Å; C134-P137 WeakPolarHBondContact O-CD 3.47Å; P137-V139 HydrophobicContact CB-CG2 4.33Å; P137-V139 HydrophobicContact CG-CG2 3.95Å; P137-V139 PolarHBondContact O-N 3.24Å | ||
| 138 | D | 98.5 | Very high | 96.6 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | trans | -73.4 | 110.9 | 174.1 | -62.6 | -41.2 | 0 | 0 | 0 | 108.5 | G105 F106 Y133 L188 L191 V192 R195 | G105-D138 CarbonylContact C-O 3.53Å; G105-D138 VanDerWaalsContact CA-O 3.27Å; G105-D138 WeakPolarHBondContact CA-O 3.29Å; F106-D138 PolarHBondContact N-O 3.06Å; Y133-D138 PolarHBondContact OH-N 3.33Å; Y133-D138 PolarHBondContact OH-OD2 2.99Å; D138-L188 HydrophobicContact CB-CD1 4.35Å; D138-L191 HydrophobicContact CB-CB 4.01Å; D138-L191 HydrophobicContact CB-CD1 4.46Å; D138-V192 HydrophobicContact CB-CG2 4Å; D138-R195 WeakPolarHBondContact OD2-CD 3.4Å; D138-R195 IonicContact OD2-CZ 3.09Å; D138-R195 IonicContact OD2-NE 2.81Å; D138-R195 PolarHBondContact OD2-NE 3.17Å; D138-R195 IonicContact OD2-NH2 3.39Å | ||
| 139 | V | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.1 | -176.9 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | F106 L108 M125 L128 P137 V168 P169 | F106-V139 HydrophobicContact CB-CG1 4.35Å; F106-V139 HydrophobicContact CB-CG2 4.15Å; F106-V139 HydrophobicContact CD2-CG2 4.2Å; F106-V139 WeakPolarHBondContact O-CA 3.35Å; L108-V139 HydrophobicContact CB-CG1 3.75Å; M125-V139 HydrophobicContact CE-CB 4.11Å; M125-V139 HydrophobicContact CE-CG1 3.85Å; M125-V139 HydrophobicContact CE-CG2 4.17Å; M125-V139 HydrophobicContact SD-CG2 4.13Å; L128-V139 HydrophobicContact CD1-CG1 4.36Å; L128-V139 HydrophobicContact CD1-CG2 3.84Å; P137-V139 HydrophobicContact CB-CG2 4.33Å; P137-V139 HydrophobicContact CG-CG2 3.95Å; P137-V139 PolarHBondContact O-N 3.24Å; V139-V168 HydrophobicContact CB-CG1 3.93Å; V139-P169 WeakPolarHBondContact O-CD 3.32Å |
| 140 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.5 | 163.6 | 180 | 0 | 0 | 0 | 0 | 108.1 | F106 L107 L108 V142 P169 I171 R187 L188 L191 | F106-V140 PolarHBondContact O-N 3.48Å; L107-V140 HydrophobicContact CD2-CB 4.13Å; L108-V140 PolarHBondContact N-O 3.05Å; V140-V142 HydrophobicContact CG1-CG2 4.03Å; V140-P169 HydrophobicContact CB-CG 4.43Å; V140-P169 HydrophobicContact CG2-CG 3.93Å; V140-I171 HydrophobicContact CG1-CG2 3.81Å; V140-R187 HydrophobicContact CG2-CB 4.19Å; V140-L188 HydrophobicContact CG2-CB 3.72Å; V140-L188 HydrophobicContact CG2-CD1 4.1Å; V140-L188 HydrophobicContact CG2-CG 4.49Å; V140-L191 HydrophobicContact CG2-CD1 4.3Å |
| 141 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 126 | 170.9 | -176.3 | 67.7 | 0 | 0 | 0 | 109.1 | L108 F110 C121 M162 A163 V168 P169 Y170 I171 | L108-L141 HydrophobicContact CB-CD1 4.41Å; L108-L141 HydrophobicContact CD2-CD1 4.05Å; L108-L141 HydrophobicContact CG-CD1 4Å; F110-L141 HydrophobicContact CD1-CD1 3.87Å; F110-L141 HydrophobicContact CD1-CG 4.27Å; F110-L141 HydrophobicContact CE1-CD1 4.02Å; F110-L141 HydrophobicContact CE1-CD2 4.22Å; F110-L141 HydrophobicContact CE1-CG 3.91Å; C121-L141 HydrophobicContact CB-CD1 4.35Å; L141-M162 HydrophobicContact CD2-CG 4.35Å; L141-M162 HydrophobicContact CD2-SD 4.41Å; L141-A163 HydrophobicContact CD2-CB 3.99Å; L141-V168 HydrophobicContact CB-CG2 3.9Å; L141-P169 PolarHBondContact N-O 2.95Å; L141-Y170 HydrophobicContact CB-CD2 4.22Å; L141-Y170 HydrophobicContact CD2-CD2 4.01Å; L141-Y170 HydrophobicContact CG-CD2 3.98Å; L141-Y170 WeakPolarHBondContact O-CA 3.28Å; L141-Y170 WeakPolarHBondContact O-CD2 3.46Å; L141-I171 PolarHBondContact O-N 3.03Å |
| 142 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.7 | -173.5 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | L36 L107 L108 V109 F110 V140 I171 T173 A184 | L36-V142 HydrophobicContact CD1-CG1 3.9Å; L107-V142 HydrophobicContact CB-CG2 4.43Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å; L108-V142 PolarHBondContact O-N 2.97Å; V109-V142 WeakPolarHBondContact CA-O 3.34Å; V109-V142 HydrophobicContact CG1-CB 4.45Å; V109-V142 HydrophobicContact CG1-CG1 4.41Å; V109-V142 HydrophobicContact CG2-CB 4.27Å; F110-V142 VanDerWaalsContact CD1-O 3.32Å; F110-V142 WeakPolarHBondContact CD1-O 3.26Å; F110-V142 PolarHBondContact N-O 3.43Å; V140-V142 HydrophobicContact CG1-CG2 4.03Å; V142-I171 WeakPolarHBondContact CA-O 3.39Å; V142-I171 HydrophobicContact CG2-CG2 4.06Å; V142-T173 HydrophobicContact CG1-CG2 3.73Å; V142-T173 WeakPolarHBondContact CG1-OG1 3.39Å; V142-A184 HydrophobicContact CG2-CB 4.4Å |
| 143 | G | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 102.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | F110 L112 I171 E172 T173 | F110-G143 VanDerWaalsContact CZ-CA 3.49Å; L112-G143 WeakPolarHBondContact CD1-O 3.21Å; G143-I171 PolarHBondContact N-O 3.32Å; G143-E172 CarbonylContact O-C 3.56Å; G143-E172 WeakPolarHBondContact O-CA 3.46Å; G143-T173 PolarHBondContact O-N 3.39Å |
| 144 | N | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 171.1 | -178.1 | -169.7 | 29 | 0 | 0 | 0 | 112.3 | V31 V109 F110 L112 T173 A175 | V31-N144 PolarHBondContact O-ND2 3.23Å; V109-N144 HydrophobicContact CG1-CB 3.87Å; F110-N144 PolarHBondContact O-N 2.86Å; L112-N144 VanDerWaalsContact CB-O 3.31Å; L112-N144 WeakPolarHBondContact CB-O 3.22Å; L112-N144 WeakPolarHBondContact CD1-O 3.46Å; L112-N144 VanDerWaalsContact CG-O 3.24Å; L112-N144 WeakPolarHBondContact CG-O 3.38Å; L112-N144 PolarHBondContact N-O 2.69Å; N144-T173 CarbonylContact C-O 3.45Å; N144-T173 VanDerWaalsContact CA-O 3.31Å; N144-T173 WeakPolarHBondContact CA-O 3.47Å; N144-T173 PolarHBondContact OD1-O 2.9Å; N144-T173 PolarHBondContact OD1-OG1 2.97Å; N144-A175 PolarHBondContact OD1-N 3.4Å; N144-A175 VanDerWaalsContact OD1-N 3.13Å |
| 145 | K | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | trans | 65.6 | 35.8 | -176.8 | -45.8 | -165.7 | -163.5 | 166.5 | 0 | 113.4 | N30 D111 D147 L148 T173 | N30-K145 WeakPolarHBondContact O-CE 3.46Å; N30-K145 PolarHBondContact O-NZ 3.43Å; D111-K145 VanDerWaalsContact CG-CE 3.45Å; D111-K145 VanDerWaalsContact OD1-CD 3.22Å; D111-K145 WeakPolarHBondContact OD1-CD 3.32Å; D111-K145 IonicContact OD1-NZ 3.72Å; D111-K145 WeakPolarHBondContact OD2-CE 3.5Å; D111-K145 IonicContact OD2-NZ 3.9Å; D111-K145 PolarHBondContact OD2-NZ 3.26Å; K145-D147 PolarHBondContact O-N 3.16Å; K145-D147 VanDerWaalsContact O-N 3.12Å; K145-L148 HydrophobicContact CB-CD1 4.04Å; K145-L148 HydrophobicContact CB-CG 4.27Å; K145-L148 HydrophobicContact CD-CD1 3.96Å; K145-L148 PolarHBondContact O-N 2.86Å; K145-T173 PolarHBondContact N-O 3.4Å | ||
| 146 | F | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.3 | 176.7 | 178.4 | -98.7 | 0 | 0 | 0 | 113.5 | L112 L148 T149 E172 T173 Y179 | L112-F146 HydrophobicContact CD1-CB 4.05Å; L112-F146 HydrophobicContact CD1-CD2 4.31Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 2.61Å; F146-T149 PolarHBondContact O-OG1 2.89Å; F146-E172 HydrophobicContact CD2-CB 3.85Å; F146-E172 WeakPolarHBondContact CD2-OE2 3.36Å; F146-E172 WeakPolarHBondContact CE2-OE2 3.37Å; F146-E172 HydrophobicContact CG-CB 4.46Å; F146-T173 VanDerWaalsContact CB-O 3.23Å; F146-T173 WeakPolarHBondContact CB-O 2.99Å; F146-T173 PolarHBondContact N-O 3.38Å; F146-Y179 HydrophobicContact CB-CD1 4.37Å; F146-Y179 AromaticContact CD1-CD1 3.65Å; F146-Y179 HydrophobicContact CD1-CD1 3.65Å; F146-Y179 AromaticContact CD1-CE1 3.79Å; F146-Y179 HydrophobicContact CD1-CE1 3.79Å; F146-Y179 HydrophobicContact CD1-CG 4.22Å; F146-Y179 HydrophobicContact CE1-CD1 4.16Å; F146-Y179 AromaticContact CE1-CE1 3.9Å; F146-Y179 HydrophobicContact CE1-CE1 3.9Å; F146-Y179 HydrophobicContact CG-CD1 4.05Å; F146-Y179 HydrophobicContact CG-CE1 4.11Å; F146-Y179 HydrophobicContact CZ-CE1 4.31Å |
| 147 | D | 98.1 | Very high | 98.3 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.7 | 178.4 | 55.4 | -69.1 | 0 | 0 | 0 | 113.7 | K145 T149 S174 T177 | K145-D147 PolarHBondContact O-N 3.16Å; K145-D147 VanDerWaalsContact O-N 3.12Å; D147-T149 PolarHBondContact O-N 2.96Å; D147-S174 WeakPolarHBondContact OD1-CB 3.37Å; D147-S174 PolarHBondContact OD1-OG 3.13Å; D147-T177 HydrophobicContact CB-CG2 3.9Å |
| 148 | L | 97.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | trans | -84 | 55.7 | -178.3 | -57.8 | -176.2 | 0 | 0 | 0 | 111.9 | T113 K145 F146 S150 E151 R152 | T113-L148 HydrophobicContact CG2-CB 3.59Å; T113-L148 HydrophobicContact CG2-CD1 3.96Å; T113-L148 HydrophobicContact CG2-CG 4.41Å; K145-L148 HydrophobicContact CB-CD1 4.04Å; K145-L148 HydrophobicContact CB-CG 4.27Å; K145-L148 HydrophobicContact CD-CD1 3.96Å; K145-L148 PolarHBondContact O-N 2.86Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 2.61Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 2.86Å; L148-E151 HydrophobicContact CB-CB 4.37Å; L148-E151 PolarHBondContact O-N 3.1Å; L148-R152 PolarHBondContact O-N 3.26Å | ||
| 149 | T | 97.1 | Very high | 98.3 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 61% | 0.613 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -60.6 | -36.1 | -171.1 | -57.4 | 0 | 0 | 0 | 0 | 113 | F146 D147 E151 R152 | F146-T149 PolarHBondContact O-OG1 2.89Å; D147-T149 PolarHBondContact O-N 2.96Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.37Å; T149-R152 WeakPolarHBondContact O-CB 3.27Å; T149-R152 PolarHBondContact O-N 3.28Å |
| 150 | S | 97.7 | Very high | 98.3 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 83% | 0.832 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -70.1 | -20 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 114 | L148 | L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 2.86Å |
| 151 | E | 98 | Very high | 98.3 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -104.5 | 1.4 | -178.6 | -64.2 | 176.7 | -128.9 | 0 | 0 | 112 | T113 L148 T149 Q153 | T113-E151 WeakPolarHBondContact CA-O 3.5Å; T113-E151 VanDerWaalsContact CB-O 3.31Å; T113-E151 WeakPolarHBondContact CB-O 3.47Å; T113-E151 HydrophobicContact CG2-CB 3.7Å; L148-E151 HydrophobicContact CB-CB 4.37Å; L148-E151 PolarHBondContact O-N 3.1Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.37Å; E151-Q153 PolarHBondContact O-N 2.56Å |
| 152 | R | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 28% | 0.275 | 31% | 0.312 | S | S | . | . | trans | -58.2 | 125.5 | -177.9 | 177.3 | -178.2 | -84 | -111.3 | 11.3 | 110.8 | L148 T149 V154 E172 | L148-R152 PolarHBondContact O-N 3.26Å; T149-R152 WeakPolarHBondContact O-CB 3.27Å; T149-R152 PolarHBondContact O-N 3.28Å; R152-V154 VanDerWaalsContact CD-O 3.28Å; R152-V154 WeakPolarHBondContact CD-O 3.49Å; R152-V154 VanDerWaalsContact CG-O 3.26Å; R152-V154 WeakPolarHBondContact CG-O 3.3Å; R152-V154 PolarHBondContact NH1-O 3.29Å; R152-E172 IonicContact CZ-OE1 3.51Å; R152-E172 IonicContact CZ-OE2 3.7Å; R152-E172 IonicContact NH1-OE1 2.9Å; R152-E172 PolarHBondContact NH1-OE1 3.48Å; R152-E172 IonicContact NH1-OE2 3.82Å; R152-E172 IonicContact NH2-OE1 3.2Å; R152-E172 PolarHBondContact NH2-OE1 3Å; R152-E172 IonicContact NH2-OE2 2.7Å; R152-E172 PolarHBondContact NH2-OE2 3.21Å | ||
| 153 | Q | 98.6 | Very high | 98.3 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | trans | -107.9 | -24.9 | 174.3 | -63.2 | -175.8 | -4.7 | 0 | 0 | 112.5 | L112 T113 E115 E151 | L112-Q153 PolarHBondContact O-N 3.14Å; T113-Q153 WeakPolarHBondContact O-CG 3.32Å; T113-Q153 PolarHBondContact O-NE2 2.93Å; T113-Q153 PolarHBondContact O-OE1 3.31Å; T113-Q153 VanDerWaalsContact O-OE1 3.1Å; E115-Q153 HydrophobicContact CB-CB 4.32Å; E151-Q153 PolarHBondContact O-N 2.56Å | ||
| 154 | V | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -104.4 | 120 | -178.1 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | F110 L112 F118 R152 A159 | F110-V154 HydrophobicContact CE2-CB 4.18Å; F110-V154 HydrophobicContact CE2-CG1 3.93Å; F110-V154 HydrophobicContact CE2-CG2 4.25Å; F110-V154 HydrophobicContact CZ-CG1 4.44Å; L112-V154 HydrophobicContact CD2-CB 4.35Å; L112-V154 PolarHBondContact O-N 2.89Å; L112-V154 VanDerWaalsContact O-N 3.09Å; F118-V154 HydrophobicContact CB-CG1 4.44Å; F118-V154 HydrophobicContact CB-CG2 3.71Å; F118-V154 HydrophobicContact CD1-CG1 4.01Å; F118-V154 HydrophobicContact CD1-CG2 4.26Å; F118-V154 HydrophobicContact CD2-CG1 3.91Å; F118-V154 HydrophobicContact CE1-CG1 4.21Å; F118-V154 HydrophobicContact CE2-CG1 4.11Å; F118-V154 HydrophobicContact CG-CG1 3.85Å; F118-V154 HydrophobicContact CG-CG2 3.98Å; F118-V154 HydrophobicContact CZ-CG1 4.25Å; R152-V154 VanDerWaalsContact CD-O 3.28Å; R152-V154 WeakPolarHBondContact CD-O 3.49Å; R152-V154 VanDerWaalsContact CG-O 3.26Å; R152-V154 WeakPolarHBondContact CG-O 3.3Å; R152-V154 PolarHBondContact NH1-O 3.29Å; V154-A159 HydrophobicContact CG1-CB 4.2Å |
| 155 | S | 98 | Very high | 98.2 | Very high | 53 Ų | 53 | 66.9 Ų | 66.9 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | trans | -75.7 | 152 | 177.2 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | S157 A158 A159 | S155-S157 PolarHBondContact O-N 2.92Å; S155-S157 PolarHBondContact OG-OG 3.41Å; S155-A158 PolarHBondContact O-N 2.74Å; S155-A158 WeakPolarHBondContact OG-CB 3.35Å; S155-A158 PolarHBondContact OG-N 3.48Å; S155-A158 VanDerWaalsContact OG-N 3.15Å; S155-A159 PolarHBondContact O-N 2.83Å | ||
| 156 | M | 97.8 | Very high | 98.2 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 48% | 0.478 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -34 | 174.9 | -165.3 | -160.6 | -152.4 | 0 | 0 | 112 | K160 | M156-K160 HydrophobicContact CG-CD 4.25Å; M156-K160 WeakPolarHBondContact O-CB 3.5Å; M156-K160 VanDerWaalsContact O-CG 3.27Å; M156-K160 WeakPolarHBondContact O-CG 3.47Å; M156-K160 PolarHBondContact O-N 3.06Å; M156-K160 HydrophobicContact SD-CD 4.44Å; M156-K160 PolarHBondContact SD-NZ 3.21Å; M156-K160 VanDerWaalsContact SD-NZ 3.39Å |
| 157 | S | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 70.2 Ų | 70.2 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.8 | -44.4 | 178 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | S155 K160 A161 | S155-S157 PolarHBondContact O-N 2.92Å; S155-S157 PolarHBondContact OG-OG 3.41Å; S157-K160 PolarHBondContact O-N 2.94Å; S157-A161 WeakPolarHBondContact O-CB 3.43Å; S157-A161 PolarHBondContact O-N 2.96Å |
| 158 | A | 98.5 | Very high | 98.1 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F118 S155 K160 A161 M162 | F118-A158 HydrophobicContact CE1-CB 4.33Å; F118-A158 HydrophobicContact CZ-CB 4.28Å; F118-A158 WeakPolarHBondContact CZ-O 3.42Å; S155-A158 PolarHBondContact O-N 2.74Å; S155-A158 WeakPolarHBondContact OG-CB 3.35Å; S155-A158 PolarHBondContact OG-N 3.48Å; S155-A158 VanDerWaalsContact OG-N 3.15Å; A158-K160 PolarHBondContact O-N 3.21Å; A158-A161 WeakPolarHBondContact O-CB 3.49Å; A158-A161 PolarHBondContact O-N 2.99Å; A158-M162 PolarHBondContact O-N 3.14Å |
| 159 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F110 F118 V154 S155 M162 A163 Y170 | F110-A159 HydrophobicContact CZ-CB 3.97Å; F118-A159 HydrophobicContact CE2-CB 4.21Å; V154-A159 HydrophobicContact CG1-CB 4.2Å; S155-A159 PolarHBondContact O-N 2.83Å; A159-M162 PolarHBondContact O-N 2.85Å; A159-A163 WeakPolarHBondContact O-CB 3.48Å; A159-A163 PolarHBondContact O-N 2.89Å; A159-Y170 HydrophobicContact CB-CD1 4.41Å; A159-Y170 HydrophobicContact CB-CD2 4.47Å; A159-Y170 HydrophobicContact CB-CE1 3.68Å; A159-Y170 HydrophobicContact CB-CE2 3.77Å; A159-Y170 WeakPolarHBondContact CB-OH 3.27Å |
| 160 | K | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 172.8 | -77.6 | 177.3 | 175 | 176.4 | 0 | 112.8 | M156 S157 A158 A163 C164 Y170 | M156-K160 HydrophobicContact CG-CD 4.25Å; M156-K160 WeakPolarHBondContact O-CB 3.5Å; M156-K160 VanDerWaalsContact O-CG 3.27Å; M156-K160 WeakPolarHBondContact O-CG 3.47Å; M156-K160 PolarHBondContact O-N 3.06Å; M156-K160 HydrophobicContact SD-CD 4.44Å; M156-K160 PolarHBondContact SD-NZ 3.21Å; M156-K160 VanDerWaalsContact SD-NZ 3.39Å; S157-K160 PolarHBondContact O-N 2.94Å; A158-K160 PolarHBondContact O-N 3.21Å; K160-A163 PolarHBondContact O-N 2.76Å; K160-C164 WeakPolarHBondContact O-CB 3.25Å; K160-C164 PolarHBondContact O-N 3.12Å; K160-Y170 HydrophobicContact CG-CD1 3.99Å; K160-Y170 HydrophobicContact CG-CE1 4.46Å |
| 161 | A | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S157 A158 A163 C164 D165 | S157-A161 WeakPolarHBondContact O-CB 3.43Å; S157-A161 PolarHBondContact O-N 2.96Å; A158-A161 WeakPolarHBondContact O-CB 3.49Å; A158-A161 PolarHBondContact O-N 2.99Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A161-A163 PolarHBondContact O-N 3.35Å; A161-C164 WeakPolarHBondContact O-CB 3.27Å; A161-C164 PolarHBondContact O-N 3.23Å; A161-C164 VanDerWaalsContact O-N 3.16Å; A161-D165 VanDerWaalsContact O-CG 3.3Å; A161-D165 PolarHBondContact O-N 2.82Å |
| 162 | M | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 5% | 0.054 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.1 | -178.3 | 179.8 | -73.7 | 0 | 0 | 112.4 | F118 C121 L141 A158 A159 C164 D165 L166 | F118-M162 HydrophobicContact CD1-CE 3.97Å; F118-M162 HydrophobicContact CD2-CE 3.8Å; F118-M162 HydrophobicContact CD2-SD 3.73Å; F118-M162 HydrophobicContact CE1-CE 3.6Å; F118-M162 HydrophobicContact CE2-CB 3.77Å; F118-M162 HydrophobicContact CE2-CE 3.41Å; F118-M162 VanDerWaalsContact CE2-CE 3.41Å; F118-M162 HydrophobicContact CE2-CG 4.16Å; F118-M162 HydrophobicContact CE2-SD 3.3Å; F118-M162 WeakPolarHBondContact CE2-SD 3.29Å; F118-M162 HydrophobicContact CG-CE 4.07Å; F118-M162 HydrophobicContact CZ-CB 3.71Å; F118-M162 HydrophobicContact CZ-CE 3.3Å; F118-M162 HydrophobicContact CZ-CG 4.37Å; F118-M162 HydrophobicContact CZ-SD 3.81Å; F118-M162 VanDerWaalsContact O-CE 3.27Å; F118-M162 WeakPolarHBondContact O-CE 3.45Å; C121-M162 HydrophobicContact CB-SD 3.64Å; L141-M162 HydrophobicContact CD2-CG 4.35Å; L141-M162 HydrophobicContact CD2-SD 4.41Å; A158-M162 PolarHBondContact O-N 3.14Å; A159-M162 PolarHBondContact O-N 2.85Å; M162-C164 VanDerWaalsContact C-N 3.28Å; M162-C164 PolarHBondContact O-N 2.89Å; M162-D165 PolarHBondContact O-N 3.04Å; M162-L166 HydrophobicContact CG-CD1 3.81Å; M162-L166 HydrophobicContact CG-CG 4.12Å; M162-L166 WeakPolarHBondContact O-CB 3.42Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.31Å; M162-L166 PolarHBondContact O-N 2.96Å; M162-L166 HydrophobicContact SD-CD1 4.36Å |
| 163 | A | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L141 A159 K160 A161 N167 V168 Y170 | L141-A163 HydrophobicContact CD2-CB 3.99Å; A159-A163 WeakPolarHBondContact O-CB 3.48Å; A159-A163 PolarHBondContact O-N 2.89Å; K160-A163 PolarHBondContact O-N 2.76Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A161-A163 PolarHBondContact O-N 3.35Å; A163-N167 WeakPolarHBondContact O-CA 3.18Å; A163-N167 PolarHBondContact O-N 3.22Å; A163-V168 WeakPolarHBondContact CB-O 3.48Å; A163-V168 PolarHBondContact O-N 3.26Å; A163-Y170 HydrophobicContact CB-CG 4.4Å |
| 164 | C | 98.2 | Very high | 98.3 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.3 | -47.3 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | K160 A161 M162 L166 N167 | K160-C164 WeakPolarHBondContact O-CB 3.25Å; K160-C164 PolarHBondContact O-N 3.12Å; A161-C164 WeakPolarHBondContact O-CB 3.27Å; A161-C164 PolarHBondContact O-N 3.23Å; A161-C164 VanDerWaalsContact O-N 3.16Å; M162-C164 VanDerWaalsContact C-N 3.28Å; M162-C164 PolarHBondContact O-N 2.89Å; C164-L166 VanDerWaalsContact C-N 3.33Å; C164-L166 PolarHBondContact O-N 2.94Å; C164-N167 PolarHBondContact O-N 3.32Å |
| 165 | D | 97.7 | Very high | 98.3 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 179.5 | -68.2 | -11.8 | 0 | 0 | 0 | 112.1 | A161 M162 N167 | A161-D165 VanDerWaalsContact O-CG 3.3Å; A161-D165 PolarHBondContact O-N 2.82Å; M162-D165 PolarHBondContact O-N 3.04Å; D165-N167 VanDerWaalsContact C-N 3.27Å |
| 166 | L | 97.2 | Very high | 98.3 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.5 | 175.7 | -64 | -177.4 | 0 | 0 | 0 | 112.9 | M125 M162 C164 V168 | M125-L166 HydrophobicContact CB-CD1 4.47Å; M125-L166 HydrophobicContact CB-CD2 4.15Å; M125-L166 HydrophobicContact CE-CB 4.23Å; M125-L166 HydrophobicContact CE-CD1 4.05Å; M125-L166 HydrophobicContact CG-CD2 4.06Å; M162-L166 HydrophobicContact CG-CD1 3.81Å; M162-L166 HydrophobicContact CG-CG 4.12Å; M162-L166 WeakPolarHBondContact O-CB 3.42Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.31Å; M162-L166 PolarHBondContact O-N 2.96Å; M162-L166 HydrophobicContact SD-CD1 4.36Å; C164-L166 VanDerWaalsContact C-N 3.33Å; C164-L166 PolarHBondContact O-N 2.94Å; L166-V168 HydrophobicContact CB-CG2 3.89Å |
| 167 | N | 97.1 | Very high | 98.2 | Very high | 134 Ų | 134 | 44 Ų | 44 | 72% | 0.717 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 49.8 | -175.2 | -172.6 | 57.3 | 0 | 0 | 0 | 113.5 | A163 C164 D165 | A163-N167 WeakPolarHBondContact O-CA 3.18Å; A163-N167 PolarHBondContact O-N 3.22Å; C164-N167 PolarHBondContact O-N 3.32Å; D165-N167 VanDerWaalsContact C-N 3.27Å |
| 168 | V | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | trans | -132.6 | 150.1 | 179.5 | -64 | 0 | 0 | 0 | 0 | 111 | M125 V139 L141 A163 L166 | M125-V168 HydrophobicContact CE-CG1 3.84Å; M125-V168 HydrophobicContact CE-CG2 4.38Å; V139-V168 HydrophobicContact CB-CG1 3.93Å; L141-V168 HydrophobicContact CB-CG2 3.9Å; A163-V168 WeakPolarHBondContact CB-O 3.48Å; A163-V168 PolarHBondContact O-N 3.26Å; L166-V168 HydrophobicContact CB-CG2 3.89Å | ||
| 169 | P | 98.5 | Very high | 98.2 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | trans | -62.9 | 149.5 | 170.9 | 27.1 | -36.2 | 0 | 0 | 0 | 111.8 | V139 V140 L141 L191 | V139-P169 WeakPolarHBondContact O-CD 3.32Å; V140-P169 HydrophobicContact CB-CG 4.43Å; V140-P169 HydrophobicContact CG2-CG 3.93Å; L141-P169 PolarHBondContact N-O 2.95Å; P169-L191 HydrophobicContact CG-CD1 3.96Å | ||
| 170 | Y | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.6 | 177.2 | 174.9 | -119.6 | 0 | 0 | 0 | 111.9 | F110 L141 A159 K160 A163 E172 R187 | F110-Y170 AromaticContact CE1-CE2 3.8Å; F110-Y170 HydrophobicContact CE1-CE2 3.8Å; F110-Y170 AromaticContact CZ-CE2 3.81Å; F110-Y170 HydrophobicContact CZ-CE2 3.81Å; L141-Y170 HydrophobicContact CB-CD2 4.22Å; L141-Y170 HydrophobicContact CD2-CD2 4.01Å; L141-Y170 HydrophobicContact CG-CD2 3.98Å; L141-Y170 WeakPolarHBondContact O-CA 3.28Å; L141-Y170 WeakPolarHBondContact O-CD2 3.46Å; A159-Y170 HydrophobicContact CB-CD1 4.41Å; A159-Y170 HydrophobicContact CB-CD2 4.47Å; A159-Y170 HydrophobicContact CB-CE1 3.68Å; A159-Y170 HydrophobicContact CB-CE2 3.77Å; A159-Y170 WeakPolarHBondContact CB-OH 3.27Å; K160-Y170 HydrophobicContact CG-CD1 3.99Å; K160-Y170 HydrophobicContact CG-CE1 4.46Å; A163-Y170 HydrophobicContact CB-CG 4.4Å; Y170-E172 HydrophobicContact CE1-CG 3.82Å; Y170-E172 HydrophobicContact CE2-CG 4.28Å; Y170-E172 VanDerWaalsContact CZ-CG 3.43Å; Y170-E172 VanDerWaalsContact OH-CD 3.26Å; Y170-E172 WeakPolarHBondContact OH-CG 3.29Å; Y170-E172 PolarHBondContact OH-OE1 3.01Å; Y170-R187 PolarHBondContact O-NH1 3.33Å |
| 171 | I | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.7 | 172.7 | -166.5 | 168.5 | 0 | 0 | 0 | 110.8 | V140 L141 V142 G143 T173 Q180 D183 A184 | V140-I171 HydrophobicContact CG1-CG2 3.81Å; L141-I171 PolarHBondContact O-N 3.03Å; V142-I171 WeakPolarHBondContact CA-O 3.39Å; V142-I171 HydrophobicContact CG2-CG2 4.06Å; G143-I171 PolarHBondContact N-O 3.32Å; I171-T173 HydrophobicContact CG2-CG2 4.38Å; I171-Q180 HydrophobicContact CD1-CB 3.86Å; I171-Q180 HydrophobicContact CD1-CG 4.35Å; I171-Q180 HydrophobicContact CG1-CB 4.13Å; I171-D183 HydrophobicContact CD1-CB 3.65Å; I171-A184 HydrophobicContact CD1-CB 4.32Å; I171-A184 HydrophobicContact CG2-CB 3.66Å |
| 172 | E | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.7 | 173.8 | -70.3 | -176.4 | 168 | 0 | 0 | 109.5 | L112 G143 F146 R152 Y170 Q180 | L112-E172 HydrophobicContact CD1-CB 4.36Å; L112-E172 HydrophobicContact CD1-CG 4.15Å; L112-E172 HydrophobicContact CD2-CG 4.46Å; G143-E172 CarbonylContact O-C 3.56Å; G143-E172 WeakPolarHBondContact O-CA 3.46Å; F146-E172 HydrophobicContact CD2-CB 3.85Å; F146-E172 WeakPolarHBondContact CD2-OE2 3.36Å; F146-E172 WeakPolarHBondContact CE2-OE2 3.37Å; F146-E172 HydrophobicContact CG-CB 4.46Å; R152-E172 IonicContact CZ-OE1 3.51Å; R152-E172 IonicContact CZ-OE2 3.7Å; R152-E172 IonicContact NH1-OE1 2.9Å; R152-E172 PolarHBondContact NH1-OE1 3.48Å; R152-E172 IonicContact NH1-OE2 3.82Å; R152-E172 IonicContact NH2-OE1 3.2Å; R152-E172 PolarHBondContact NH2-OE1 3Å; R152-E172 IonicContact NH2-OE2 2.7Å; R152-E172 PolarHBondContact NH2-OE2 3.21Å; Y170-E172 HydrophobicContact CE1-CG 3.82Å; Y170-E172 HydrophobicContact CE2-CG 4.28Å; Y170-E172 VanDerWaalsContact CZ-CG 3.43Å; Y170-E172 VanDerWaalsContact OH-CD 3.26Å; Y170-E172 WeakPolarHBondContact OH-CG 3.29Å; Y170-E172 PolarHBondContact OH-OE1 3.01Å; E172-Q180 VanDerWaalsContact O-CB 3.29Å; E172-Q180 WeakPolarHBondContact O-CB 3.06Å; E172-Q180 PolarHBondContact O-OE1 3.32Å |
| 173 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -131.3 | 160.6 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | L36 V142 G143 N144 K145 F146 I171 Y179 Q180 A184 | L36-T173 WeakPolarHBondContact CD1-OG1 3.2Å; V142-T173 HydrophobicContact CG1-CG2 3.73Å; V142-T173 WeakPolarHBondContact CG1-OG1 3.39Å; G143-T173 PolarHBondContact O-N 3.39Å; N144-T173 CarbonylContact C-O 3.45Å; N144-T173 VanDerWaalsContact CA-O 3.31Å; N144-T173 WeakPolarHBondContact CA-O 3.47Å; N144-T173 PolarHBondContact OD1-O 2.9Å; N144-T173 PolarHBondContact OD1-OG1 2.97Å; K145-T173 PolarHBondContact N-O 3.4Å; F146-T173 VanDerWaalsContact CB-O 3.23Å; F146-T173 WeakPolarHBondContact CB-O 2.99Å; F146-T173 PolarHBondContact N-O 3.38Å; I171-T173 HydrophobicContact CG2-CG2 4.38Å; T173-Y179 VanDerWaalsContact CA-O 3.27Å; T173-Y179 WeakPolarHBondContact CA-O 3.41Å; T173-Q180 HydrophobicContact CG2-CB 4.2Å; T173-Q180 WeakPolarHBondContact CG2-O 3.33Å; T173-A184 HydrophobicContact CG2-CB 3.78Å | ||
| 174 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -131.4 | 108.2 | 165 | 167.1 | 0 | 0 | 0 | 0 | 108.8 | D147 A176 T177 G178 Y179 | D147-S174 WeakPolarHBondContact OD1-CB 3.37Å; D147-S174 PolarHBondContact OD1-OG 3.13Å; S174-A176 PolarHBondContact O-N 3.38Å; S174-A176 PolarHBondContact OG-N 3.42Å; S174-T177 WeakPolarHBondContact CB-OG1 3.45Å; S174-T177 PolarHBondContact O-N 2.89Å; S174-T177 PolarHBondContact OG-N 3.37Å; S174-T177 PolarHBondContact OG-OG1 2.85Å; S174-G178 CarbonylContact O-C 3.5Å; S174-G178 WeakPolarHBondContact O-CA 3.43Å; S174-G178 PolarHBondContact O-N 2.93Å; S174-Y179 PolarHBondContact N-O 3.44Å; S174-Y179 PolarHBondContact O-N 3.39Å | ||
| 175 | A | 97.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 Q39 F45 N144 | L36-A175 HydrophobicContact CB-CB 4.3Å; Q39-A175 WeakPolarHBondContact CG-O 3.44Å; F45-A175 HydrophobicContact CD2-CB 4.3Å; F45-A175 WeakPolarHBondContact CD2-O 3.07Å; F45-A175 HydrophobicContact CE2-CB 4.46Å; N144-A175 PolarHBondContact OD1-N 3.4Å; N144-A175 VanDerWaalsContact OD1-N 3.13Å |
| 176 | A | 97.4 | Very high | 98.2 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -38.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F45 S174 | F45-A176 HydrophobicContact CD1-CB 4.05Å; F45-A176 HydrophobicContact CD2-CB 4.24Å; F45-A176 HydrophobicContact CE1-CB 3.85Å; F45-A176 HydrophobicContact CE2-CB 4.07Å; F45-A176 HydrophobicContact CG-CB 4.23Å; F45-A176 HydrophobicContact CZ-CB 3.87Å; S174-A176 PolarHBondContact O-N 3.38Å; S174-A176 PolarHBondContact OG-N 3.42Å |
| 177 | T | 97.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -13.4 | -176.1 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | D147 S174 Y179 | D147-T177 HydrophobicContact CB-CG2 3.9Å; S174-T177 WeakPolarHBondContact CB-OG1 3.45Å; S174-T177 PolarHBondContact O-N 2.89Å; S174-T177 PolarHBondContact OG-N 3.37Å; S174-T177 PolarHBondContact OG-OG1 2.85Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 WeakPolarHBondContact OG1-CB 3.19Å; T177-Y179 PolarHBondContact OG1-N 3.17Å |
| 178 | G | 98 | Very high | 98.3 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | trans | 81.5 | -0.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q39 S174 Q180 V181 | Q39-G178 VanDerWaalsContact NE2-N 3.16Å; S174-G178 CarbonylContact O-C 3.5Å; S174-G178 WeakPolarHBondContact O-CA 3.43Å; S174-G178 PolarHBondContact O-N 2.93Å; G178-Q180 PolarHBondContact O-N 3.37Å; G178-Q180 VanDerWaalsContact O-N 3.14Å; G178-V181 PolarHBondContact O-N 3.43Å | ||
| 179 | Y | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 33.3 Ų | 33.3 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 120.2 | 180 | -178.4 | -100 | 0 | 0 | 0 | 111.2 | F146 T173 S174 T177 V181 | F146-Y179 HydrophobicContact CB-CD1 4.37Å; F146-Y179 AromaticContact CD1-CD1 3.65Å; F146-Y179 HydrophobicContact CD1-CD1 3.65Å; F146-Y179 AromaticContact CD1-CE1 3.79Å; F146-Y179 HydrophobicContact CD1-CE1 3.79Å; F146-Y179 HydrophobicContact CD1-CG 4.22Å; F146-Y179 HydrophobicContact CE1-CD1 4.16Å; F146-Y179 AromaticContact CE1-CE1 3.9Å; F146-Y179 HydrophobicContact CE1-CE1 3.9Å; F146-Y179 HydrophobicContact CG-CD1 4.05Å; F146-Y179 HydrophobicContact CG-CE1 4.11Å; F146-Y179 HydrophobicContact CZ-CE1 4.31Å; T173-Y179 VanDerWaalsContact CA-O 3.27Å; T173-Y179 WeakPolarHBondContact CA-O 3.41Å; S174-Y179 PolarHBondContact N-O 3.44Å; S174-Y179 PolarHBondContact O-N 3.39Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 WeakPolarHBondContact OG1-CB 3.19Å; T177-Y179 PolarHBondContact OG1-N 3.17Å; Y179-V181 PolarHBondContact O-N 2.84Å |
| 180 | Q | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 13.5 | 176.8 | -67.1 | -167.1 | -23.5 | 0 | 0 | 116.3 | I171 E172 T173 G178 D183 A184 | I171-Q180 HydrophobicContact CD1-CB 3.86Å; I171-Q180 HydrophobicContact CD1-CG 4.35Å; I171-Q180 HydrophobicContact CG1-CB 4.13Å; E172-Q180 VanDerWaalsContact O-CB 3.29Å; E172-Q180 WeakPolarHBondContact O-CB 3.06Å; E172-Q180 PolarHBondContact O-OE1 3.32Å; T173-Q180 HydrophobicContact CG2-CB 4.2Å; T173-Q180 WeakPolarHBondContact CG2-O 3.33Å; G178-Q180 PolarHBondContact O-N 3.37Å; G178-Q180 VanDerWaalsContact O-N 3.14Å; Q180-D183 HydrophobicContact CB-CB 4.35Å; Q180-D183 PolarHBondContact O-N 2.9Å; Q180-A184 WeakPolarHBondContact O-CB 3.27Å; Q180-A184 PolarHBondContact O-N 2.64Å |
| 181 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 179.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L36 Q39 Y40 G178 Y179 A184 V185 | L36-V181 HydrophobicContact CD2-CG1 4.29Å; L36-V181 HydrophobicContact CG-CG1 4.26Å; L36-V181 WeakPolarHBondContact O-CG1 3.4Å; Q39-V181 HydrophobicContact CB-CG1 4.29Å; Q39-V181 HydrophobicContact CG-CB 4.43Å; Q39-V181 HydrophobicContact CG-CG1 4.29Å; Q39-V181 HydrophobicContact CG-CG2 4.09Å; Y40-V181 HydrophobicContact CD2-CG1 4.47Å; G178-V181 PolarHBondContact O-N 3.43Å; Y179-V181 PolarHBondContact O-N 2.84Å; V181-A184 PolarHBondContact O-N 3.47Å; V181-V185 PolarHBondContact O-N 3.5Å |
| 182 | N | 97.9 | Very high | 98 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 40% | 0.401 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -46.7 | 174.7 | -67.9 | -69.1 | 0 | 0 | 0 | 111.1 | Y40 A184 V185 D186 | Y40-N182 VanDerWaalsContact CD2-OD1 3.28Å; Y40-N182 WeakPolarHBondContact CD2-OD1 3.35Å; Y40-N182 HydrophobicContact CE2-CB 4.43Å; Y40-N182 WeakPolarHBondContact CE2-OD1 3.46Å; N182-A184 PolarHBondContact O-N 3.35Å; N182-V185 PolarHBondContact O-N 3.35Å; N182-D186 PolarHBondContact O-N 2.84Å |
| 183 | D | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 35.3 Ų | 35.3 | 42% | 0.417 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.2 | -34.6 | 179.9 | -58.9 | -23.5 | 0 | 0 | 0 | 112.7 | I171 Q180 R187 | I171-D183 HydrophobicContact CD1-CB 3.65Å; Q180-D183 HydrophobicContact CB-CB 4.35Å; Q180-D183 PolarHBondContact O-N 2.9Å; D183-R187 WeakPolarHBondContact O-CB 3.33Å; D183-R187 WeakPolarHBondContact O-CG 3.42Å; D183-R187 PolarHBondContact O-N 3.38Å |
| 184 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V142 I171 T173 Q180 V181 N182 L188 | V142-A184 HydrophobicContact CG2-CB 4.4Å; I171-A184 HydrophobicContact CD1-CB 4.32Å; I171-A184 HydrophobicContact CG2-CB 3.66Å; T173-A184 HydrophobicContact CG2-CB 3.78Å; Q180-A184 WeakPolarHBondContact O-CB 3.27Å; Q180-A184 PolarHBondContact O-N 2.64Å; V181-A184 PolarHBondContact O-N 3.47Å; N182-A184 PolarHBondContact O-N 3.35Å; A184-L188 PolarHBondContact O-N 2.98Å |
| 185 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.3 | -40.9 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | L23 Y40 L81 L107 V181 N182 R187 L188 L189 | L23-V185 HydrophobicContact CD1-CG1 3.92Å; Y40-V185 HydrophobicContact CD1-CG1 4.48Å; Y40-V185 HydrophobicContact CD1-CG2 4.05Å; Y40-V185 HydrophobicContact CD2-CB 4.02Å; Y40-V185 HydrophobicContact CD2-CG2 3.65Å; Y40-V185 HydrophobicContact CE1-CB 4.28Å; Y40-V185 HydrophobicContact CE1-CG1 3.8Å; Y40-V185 HydrophobicContact CE1-CG2 4.16Å; Y40-V185 HydrophobicContact CE2-CB 3.6Å; Y40-V185 HydrophobicContact CE2-CG1 3.89Å; Y40-V185 HydrophobicContact CE2-CG2 3.78Å; Y40-V185 HydrophobicContact CG-CG2 3.79Å; Y40-V185 VanDerWaalsContact CZ-CG1 3.45Å; Y40-V185 WeakPolarHBondContact OH-CG1 3.33Å; L81-V185 HydrophobicContact CD1-CG1 4.44Å; L107-V185 HydrophobicContact CD1-CG2 4.2Å; V181-V185 PolarHBondContact O-N 3.5Å; N182-V185 PolarHBondContact O-N 3.35Å; V185-R187 PolarHBondContact O-N 2.99Å; V185-L188 WeakPolarHBondContact O-CB 3.33Å; V185-L188 PolarHBondContact O-N 3.36Å; V185-L188 VanDerWaalsContact O-N 3.13Å; V185-L189 HydrophobicContact CG1-CD1 4.06Å; V185-L189 HydrophobicContact CG1-CG 4.25Å; V185-L189 WeakPolarHBondContact O-CG 3.22Å; V185-L189 PolarHBondContact O-N 3.35Å |
| 186 | D | 97.2 | Very high | 97 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 179.8 | -72 | -19.7 | 0 | 0 | 0 | 111.8 | N182 L188 L189 D190 | N182-D186 PolarHBondContact O-N 2.84Å; D186-L188 VanDerWaalsContact C-N 3.3Å; D186-L188 PolarHBondContact O-N 3.08Å; D186-L189 WeakPolarHBondContact O-CB 3.42Å; D186-L189 PolarHBondContact O-N 2.93Å; D186-D190 VanDerWaalsContact O-CG 3.23Å; D186-D190 PolarHBondContact O-N 3.2Å |
| 187 | R | 98.1 | Very high | 96.5 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.6 | -40.3 | 172.2 | -77.3 | 175 | -177.4 | -150.1 | 3.5 | 112.5 | V140 Y170 D183 V185 D190 L191 | V140-R187 HydrophobicContact CG2-CB 4.19Å; Y170-R187 PolarHBondContact O-NH1 3.33Å; D183-R187 WeakPolarHBondContact O-CB 3.33Å; D183-R187 WeakPolarHBondContact O-CG 3.42Å; D183-R187 PolarHBondContact O-N 3.38Å; V185-R187 PolarHBondContact O-N 2.99Å; R187-D190 PolarHBondContact O-N 3Å; R187-L191 PolarHBondContact O-N 2.8Å |
| 188 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | 176.7 | -178.7 | 58.6 | 0 | 0 | 0 | 110.9 | L23 L107 D138 V140 A184 V185 D186 D190 L191 V192 | L23-L188 HydrophobicContact CB-CD2 4.26Å; L23-L188 HydrophobicContact CD1-CD2 4.13Å; L23-L188 HydrophobicContact CD2-CD2 3.91Å; L23-L188 HydrophobicContact CD2-CG 4.07Å; L23-L188 HydrophobicContact CG-CD2 4.33Å; L107-L188 HydrophobicContact CD2-CB 4.18Å; L107-L188 HydrophobicContact CD2-CD2 3.76Å; L107-L188 HydrophobicContact CG-CD2 3.79Å; D138-L188 HydrophobicContact CB-CD1 4.35Å; V140-L188 HydrophobicContact CG2-CB 3.72Å; V140-L188 HydrophobicContact CG2-CD1 4.1Å; V140-L188 HydrophobicContact CG2-CG 4.49Å; A184-L188 PolarHBondContact O-N 2.98Å; V185-L188 WeakPolarHBondContact O-CB 3.33Å; V185-L188 PolarHBondContact O-N 3.36Å; V185-L188 VanDerWaalsContact O-N 3.13Å; D186-L188 VanDerWaalsContact C-N 3.3Å; D186-L188 PolarHBondContact O-N 3.08Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 3.16Å; L188-L191 PolarHBondContact O-N 2.71Å; L188-V192 HydrophobicContact CD1-CG2 4.39Å; L188-V192 WeakPolarHBondContact O-CG2 3.19Å; L188-V192 PolarHBondContact O-N 2.95Å |
| 189 | L | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 175 | -71.4 | 171.6 | 0 | 0 | 0 | 111.8 | I21 L23 L62 L79 L81 V185 D186 L191 V192 M193 | I21-L189 HydrophobicContact CG2-CD2 3.99Å; L23-L189 HydrophobicContact CD1-CD2 3.89Å; L23-L189 HydrophobicContact CD1-CG 4.23Å; L62-L189 HydrophobicContact CD2-CD1 4.02Å; L79-L189 HydrophobicContact CD1-CD1 4.47Å; L79-L189 HydrophobicContact CD1-CD2 4.28Å; L81-L189 HydrophobicContact CD1-CD1 4.03Å; L81-L189 HydrophobicContact CD1-CD2 4.37Å; L81-L189 HydrophobicContact CD2-CD1 4.44Å; L81-L189 HydrophobicContact CD2-CD2 3.61Å; V185-L189 HydrophobicContact CG1-CD1 4.06Å; V185-L189 HydrophobicContact CG1-CG 4.25Å; V185-L189 WeakPolarHBondContact O-CG 3.22Å; V185-L189 PolarHBondContact O-N 3.35Å; D186-L189 WeakPolarHBondContact O-CB 3.42Å; D186-L189 PolarHBondContact O-N 2.93Å; L189-L191 PolarHBondContact O-N 3.45Å; L189-V192 PolarHBondContact O-N 2.86Å; L189-M193 VanDerWaalsContact O-CB 3.25Å; L189-M193 WeakPolarHBondContact O-CB 3.36Å; L189-M193 WeakPolarHBondContact O-CG 3.33Å; L189-M193 PolarHBondContact O-N 2.82Å |
| 190 | D | 95.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 176.2 | -69.9 | -21.9 | 0 | 0 | 0 | 111.8 | R64 D186 R187 L188 T194 | R64-D190 IonicContact CZ-OD1 2.64Å; R64-D190 IonicContact NH1-OD1 2.82Å; R64-D190 PolarHBondContact NH1-OD1 2.81Å; R64-D190 IonicContact NH2-OD1 2.96Å; R64-D190 PolarHBondContact NH2-OD1 2.96Å; R64-D190 IonicContact NH2-OD2 3.89Å; D186-D190 VanDerWaalsContact O-CG 3.23Å; D186-D190 PolarHBondContact O-N 3.2Å; R187-D190 PolarHBondContact O-N 3Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 3.16Å; D190-T194 VanDerWaalsContact O-CB 3.24Å; D190-T194 WeakPolarHBondContact O-CB 3.44Å; D190-T194 PolarHBondContact O-N 3.15Å; D190-T194 PolarHBondContact O-OG1 3.45Å |
| 191 | L | 97.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 29% | 0.293 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 176.1 | -63.2 | 177.2 | 0 | 0 | 0 | 111.2 | D138 V140 P169 R187 L188 L189 M193 T194 R195 | D138-L191 HydrophobicContact CB-CB 4.01Å; D138-L191 HydrophobicContact CB-CD1 4.46Å; V140-L191 HydrophobicContact CG2-CD1 4.3Å; P169-L191 HydrophobicContact CG-CD1 3.96Å; R187-L191 PolarHBondContact O-N 2.8Å; L188-L191 PolarHBondContact O-N 2.71Å; L189-L191 PolarHBondContact O-N 3.45Å; L191-M193 PolarHBondContact O-N 3.03Å; L191-T194 PolarHBondContact O-N 3.26Å; L191-R195 PolarHBondContact O-N 2.97Å |
| 192 | V | 97 | Very high | 92 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | -176.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I21 L23 M104 D138 L188 L189 R195 I196 | I21-V192 HydrophobicContact CD1-CG1 4.24Å; I21-V192 HydrophobicContact CG2-CG1 4.03Å; L23-V192 HydrophobicContact CD2-CG2 4.2Å; M104-V192 HydrophobicContact CB-CG1 4.02Å; M104-V192 HydrophobicContact CE-CG1 4.14Å; M104-V192 WeakPolarHBondContact O-CG2 2.87Å; D138-V192 HydrophobicContact CB-CG2 4Å; L188-V192 HydrophobicContact CD1-CG2 4.39Å; L188-V192 WeakPolarHBondContact O-CG2 3.19Å; L188-V192 PolarHBondContact O-N 2.95Å; L189-V192 PolarHBondContact O-N 2.86Å; V192-R195 PolarHBondContact O-N 2.71Å; V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CG1 3.27Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å; V192-I196 PolarHBondContact O-N 2.96Å |
| 193 | M | 93.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | -180 | -68.8 | -58 | -66.3 | 0 | 0 | 111.4 | Y19 I21 L79 L189 L191 R195 I196 E197 | Y19-M193 HydrophobicContact CD1-CE 4.2Å; Y19-M193 HydrophobicContact CD2-CE 3.86Å; Y19-M193 HydrophobicContact CE1-CE 4.2Å; Y19-M193 HydrophobicContact CE2-CE 3.86Å; Y19-M193 HydrophobicContact CG-CE 4.04Å; Y19-M193 HydrophobicContact CG-SD 4.48Å; I21-M193 HydrophobicContact CD1-SD 4.01Å; I21-M193 HydrophobicContact CG1-SD 4.42Å; L79-M193 HydrophobicContact CD1-SD 4.37Å; L79-M193 HydrophobicContact CD2-CE 3.94Å; L79-M193 HydrophobicContact CD2-SD 4Å; L189-M193 VanDerWaalsContact O-CB 3.25Å; L189-M193 WeakPolarHBondContact O-CB 3.36Å; L189-M193 WeakPolarHBondContact O-CG 3.33Å; L189-M193 PolarHBondContact O-N 2.82Å; L191-M193 PolarHBondContact O-N 3.03Å; M193-R195 VanDerWaalsContact C-N 3.27Å; M193-R195 PolarHBondContact O-N 3.24Å; M193-I196 PolarHBondContact O-N 3.05Å; M193-I196 VanDerWaalsContact O-N 3.15Å; M193-I196 HydrophobicContact SD-CD1 4.08Å; M193-E197 WeakPolarHBondContact O-CB 3.1Å; M193-E197 WeakPolarHBondContact O-CG 3.23Å; M193-E197 PolarHBondContact O-N 3.13Å |
| 194 | T | 93 | Very high | 88.2 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 57% | 0.571 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.3 | -43.4 | 174.7 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | D190 L191 A198 | D190-T194 VanDerWaalsContact O-CB 3.24Å; D190-T194 WeakPolarHBondContact O-CB 3.44Å; D190-T194 PolarHBondContact O-N 3.15Å; D190-T194 PolarHBondContact O-OG1 3.45Å; L191-T194 PolarHBondContact O-N 3.26Å; T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.45Å; T194-A198 PolarHBondContact O-N 2.81Å |
| 195 | R | 94.3 | Very high | 86.1 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.1 | -178.8 | 176.1 | 60.9 | 89.4 | -5.9 | 112.6 | M104 Y133 D138 L191 V192 M193 S199 | M104-R195 PolarHBondContact O-NH2 3.27Å; Y133-R195 PolarHBondContact OH-NE 2.95Å; Y133-R195 PolarHBondContact OH-NH2 3.39Å; D138-R195 WeakPolarHBondContact OD2-CD 3.4Å; D138-R195 IonicContact OD2-CZ 3.09Å; D138-R195 IonicContact OD2-NE 2.81Å; D138-R195 PolarHBondContact OD2-NE 3.17Å; D138-R195 IonicContact OD2-NH2 3.39Å; L191-R195 PolarHBondContact O-N 2.97Å; V192-R195 PolarHBondContact O-N 2.71Å; M193-R195 VanDerWaalsContact C-N 3.27Å; M193-R195 PolarHBondContact O-N 3.24Å; R195-S199 WeakPolarHBondContact O-CB 3.24Å; R195-S199 PolarHBondContact O-N 3.39Å; R195-S199 VanDerWaalsContact O-N 3.07Å; R195-S199 PolarHBondContact O-OG 3.28Å |
| 196 | I | 92.1 | Very high | 84.2 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 177.4 | -68.9 | 165.4 | 0 | 0 | 0 | 110 | Y19 I21 M104 V192 M193 A198 S199 V200 | Y19-I196 HydrophobicContact CD1-CG2 4.22Å; Y19-I196 HydrophobicContact CE1-CG2 3.89Å; I21-I196 HydrophobicContact CD1-CD1 3.45Å; I21-I196 VanDerWaalsContact CD1-CD1 3.45Å; M104-I196 HydrophobicContact CE-CD1 3.48Å; M104-I196 VanDerWaalsContact CE-CD1 3.48Å; M104-I196 HydrophobicContact CE-CG1 4.05Å; V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CG1 3.27Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å; V192-I196 PolarHBondContact O-N 2.96Å; M193-I196 PolarHBondContact O-N 3.05Å; M193-I196 VanDerWaalsContact O-N 3.15Å; M193-I196 HydrophobicContact SD-CD1 4.08Å; I196-A198 VanDerWaalsContact C-N 3.35Å; I196-A198 PolarHBondContact O-N 3.28Å; I196-S199 WeakPolarHBondContact O-CB 3.31Å; I196-S199 PolarHBondContact O-N 3.37Å; I196-V200 WeakPolarHBondContact O-CG2 3.18Å; I196-V200 PolarHBondContact O-N 2.54Å |
| 197 | E | 87.3 | Confident | 82 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | -178.6 | -70.7 | 174.9 | 179.7 | 0 | 0 | 112.2 | Q77 M193 S199 V200 T201 | Q77-E197 PolarHBondContact NE2-OE1 3.18Å; M193-E197 WeakPolarHBondContact O-CB 3.1Å; M193-E197 WeakPolarHBondContact O-CG 3.23Å; M193-E197 PolarHBondContact O-N 3.13Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 3.36Å; E197-V200 PolarHBondContact O-N 3.06Å; E197-T201 WeakPolarHBondContact O-CB 3.41Å; E197-T201 PolarHBondContact O-N 2.87Å; E197-T201 PolarHBondContact O-OG1 2.98Å |
| 198 | A | 88.7 | Confident | 79.5 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -35.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T194 I196 K202 | T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.45Å; T194-A198 PolarHBondContact O-N 2.81Å; I196-A198 VanDerWaalsContact C-N 3.35Å; I196-A198 PolarHBondContact O-N 3.28Å; A198-K202 WeakPolarHBondContact O-CB 3.12Å; A198-K202 VanDerWaalsContact O-CG 3.29Å; A198-K202 WeakPolarHBondContact O-CG 3.28Å; A198-K202 PolarHBondContact O-N 3.14Å |
| 199 | S | 86.4 | Confident | 76.6 | Confident | 67 Ų | 67 | 75.7 Ų | 75.7 | 47% | 0.469 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 178.7 | -57 | 0 | 0 | 0 | 0 | 111.8 | R195 I196 E197 A203 | R195-S199 WeakPolarHBondContact O-CB 3.24Å; R195-S199 PolarHBondContact O-N 3.39Å; R195-S199 VanDerWaalsContact O-N 3.07Å; R195-S199 PolarHBondContact O-OG 3.28Å; I196-S199 WeakPolarHBondContact O-CB 3.31Å; I196-S199 PolarHBondContact O-N 3.37Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 3.36Å; S199-A203 PolarHBondContact O-N 2.95Å |
| 200 | V | 81.6 | Confident | 73.6 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | I196 E197 A203 R204 | I196-V200 WeakPolarHBondContact O-CG2 3.18Å; I196-V200 PolarHBondContact O-N 2.54Å; E197-V200 PolarHBondContact O-N 3.06Å; V200-A203 PolarHBondContact O-N 3.35Å; V200-R204 WeakPolarHBondContact O-CG 3.26Å; V200-R204 PolarHBondContact O-N 3.1Å |
| 201 | T | 74.9 | Confident | 70.6 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 47% | 0.466 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | E197 A203 R204 I205 | E197-T201 WeakPolarHBondContact O-CB 3.41Å; E197-T201 PolarHBondContact O-N 2.87Å; E197-T201 PolarHBondContact O-OG1 2.98Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.08Å; T201-R204 PolarHBondContact O-N 3.2Å; T201-I205 HydrophobicContact CG2-CD1 4.13Å; T201-I205 WeakPolarHBondContact O-CG1 3.49Å; T201-I205 PolarHBondContact O-N 3.09Å |
| 202 | K | 66.7 | Low | 67.6 | Low | 136 Ų | 136 | 88.8 Ų | 88.8 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 174.8 | -77 | 175.1 | -177.8 | 179.7 | 0 | 112.1 | A198 R204 I205 H206 | A198-K202 WeakPolarHBondContact O-CB 3.12Å; A198-K202 VanDerWaalsContact O-CG 3.29Å; A198-K202 WeakPolarHBondContact O-CG 3.28Å; A198-K202 PolarHBondContact O-N 3.14Å; K202-R204 VanDerWaalsContact C-N 3.31Å; K202-R204 PolarHBondContact O-N 2.9Å; K202-I205 PolarHBondContact O-N 2.82Å; K202-H206 PolarHBondContact O-N 2.88Å; K202-H206 PolarHBondContact O-ND1 2.9Å |
| 203 | A | 62.7 | Low | 64.6 | Low | 66 Ų | 66 | 93.3 Ų | 93.3 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S199 V200 T201 G207 | S199-A203 PolarHBondContact O-N 2.95Å; V200-A203 PolarHBondContact O-N 3.35Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.08Å; A203-G207 PolarHBondContact O-N 3.03Å |
| 204 | R | 52.6 | Low | 61.7 | Low | 187 Ų | 187 | 100 Ų | 100 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 175.2 | -72.6 | 179 | 176.2 | 179.1 | -0.2 | 113.1 | V200 T201 K202 | V200-R204 WeakPolarHBondContact O-CG 3.26Å; V200-R204 PolarHBondContact O-N 3.1Å; T201-R204 PolarHBondContact O-N 3.2Å; K202-R204 VanDerWaalsContact C-N 3.31Å; K202-R204 PolarHBondContact O-N 2.9Å |
| 205 | I | 54.5 | Low | 59 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -47 | 178.6 | -66.4 | 168.1 | 0 | 0 | 0 | 110.7 | T201 K202 G207 N208 | T201-I205 HydrophobicContact CG2-CD1 4.13Å; T201-I205 WeakPolarHBondContact O-CG1 3.49Å; T201-I205 PolarHBondContact O-N 3.09Å; K202-I205 PolarHBondContact O-N 2.82Å; I205-G207 VanDerWaalsContact C-N 3.32Å; I205-G207 PolarHBondContact O-N 3.04Å; I205-N208 PolarHBondContact O-N 3.34Å |
| 206 | H | 59 | Low | 56.1 | Low | 135 Ų | 135 | 109.2 Ų | 109.2 | 63% | 0.625 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.3 | -27.3 | 179.8 | -65.8 | 80.8 | 0 | 0 | 0 | 112.3 | K202 N208 T209 | K202-H206 PolarHBondContact O-N 2.88Å; K202-H206 PolarHBondContact O-ND1 2.9Å; H206-N208 PolarHBondContact O-N 2.93Å; H206-T209 PolarHBondContact O-N 2.7Å; H206-T209 PolarHBondContact O-OG1 3.2Å |
| 207 | G | 51.1 | Low | 53.4 | Low | 57 Ų | 57 | 117.2 Ų | 117.2 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -11.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A203 I205 | A203-G207 PolarHBondContact O-N 3.03Å; I205-G207 VanDerWaalsContact C-N 3.32Å; I205-G207 PolarHBondContact O-N 3.04Å |
| 208 | N | 44.4 | Very low | 51 | Low | 151 Ų | 151 | 120.2 Ų | 120.2 | 81% | 0.807 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -0 | 178.1 | -83.3 | -5.4 | 0 | 0 | 0 | 114.4 | I205 H206 | I205-N208 PolarHBondContact O-N 3.34Å; H206-N208 PolarHBondContact O-N 2.93Å |
| 209 | T | 39 | Very low | 48.6 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 63% | 0.632 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -121.2 | 75.7 | 172.9 | 37.6 | 0 | 0 | 0 | 0 | 109.6 | H206 | H206-T209 PolarHBondContact O-N 2.7Å; H206-T209 PolarHBondContact O-OG1 3.2Å |
| 210 | E | 34.4 | Very low | 46.5 | Very low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 176.7 | 127.9 | 139.6 | -96.4 | 168.8 | -162.9 | 0 | 0 | 109.3 | ||
| 211 | G | 32.4 | Very low | 44.6 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 143.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A213 | G211-A213 PolarHBondContact O-N 3.12Š| ||
| 212 | T | 33.5 | Very low | 43.2 | Very low | 146 Ų | 146 | 136 Ų | 136 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | 51.4 | 61.7 | 149.4 | 50.7 | 0 | 0 | 0 | 0 | 117.2 | N214 | T212-N214 PolarHBondContact O-N 3.25Š| ||
| 213 | A | 33.3 | Very low | 42.1 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -81 | 92.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.2 | G211 L215 | G211-A213 PolarHBondContact O-N 3.12Å; A213-L215 PolarHBondContact O-N 3.38Å; A213-L215 VanDerWaalsContact O-N 3.09Å | ||
| 214 | N | 33.9 | Very low | 40.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 103.4 | 174.7 | -142.3 | -29.5 | 0 | 0 | 0 | 109.4 | T212 K216 | T212-N214 PolarHBondContact O-N 3.25Å; N214-K216 VanDerWaalsContact C-N 3.29Å; N214-K216 PolarHBondContact O-N 3.04Å | ||
| 215 | L | 35.6 | Very low | 39.8 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 82.1 | 176.2 | -85.1 | 133.5 | 0 | 0 | 0 | 110.6 | A213 K217 | A213-L215 PolarHBondContact O-N 3.38Å; A213-L215 VanDerWaalsContact O-N 3.09Å; L215-K217 PolarHBondContact O-N 3.25Å | ||
| 216 | K | 34.7 | Very low | 39.5 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -75.5 | 112.6 | 164.1 | -81.7 | -173.8 | 176.5 | 179.5 | 0 | 109 | N214 | N214-K216 VanDerWaalsContact C-N 3.29Å; N214-K216 PolarHBondContact O-N 3.04Å | ||
| 217 | K | 34.4 | Very low | 38.5 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 137.9 | 170.9 | -72.5 | 178.9 | 175.6 | 179.9 | 0 | 110.8 | L215 T219 | L215-K217 PolarHBondContact O-N 3.25Å; K217-T219 PolarHBondContact O-N 3.24Å |
| 218 | P | 37 | Very low | 37.8 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123 | 177.5 | 28.1 | -30.7 | 0 | 0 | 0 | 110.2 | T220 | P218-T220 PolarHBondContact O-N 3.48Š|
| 219 | T | 39.7 | Very low | 37.5 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.6 | 169.6 | 33.6 | 0 | 0 | 0 | 0 | 109.7 | K217 K221 | K217-T219 PolarHBondContact O-N 3.24Å; T219-K221 PolarHBondContact O-N 3.42Å |
| 220 | T | 41.4 | Very low | 37.4 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 88% | 0.883 | 86% | 0.863 | S | S | * | * | trans | -61.6 | 114.5 | 171.9 | 25.5 | 0 | 0 | 0 | 0 | 110.7 | P218 | P218-T220 PolarHBondContact O-N 3.48Š| ||
| 221 | K | 42.1 | Very low | 37.6 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 85% | 0.852 | 86% | 0.861 | S | S | * | * | trans | -94.7 | 101.6 | 165.3 | -81.7 | -174.9 | 175 | -179.6 | 0 | 109.1 | T219 | T219-K221 PolarHBondContact O-N 3.42Š| ||
| 222 | S | 44.6 | Very low | 37.9 | Very low | 111 Ų | 111 | 153 Ų | 153 | 78% | 0.776 | 87% | 0.872 | S | S | * | * | trans | -85.3 | 102.4 | 165.5 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 223 | N | 44.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | trans | -94.4 | 99.8 | 166.1 | -87.9 | -0.9 | 0 | 0 | 0 | 108.4 | ||||
| 224 | C | 32.7 | Very low | 38.6 | Very low | 126 Ų | 126 | 158.1 Ų | 158.1 | 85% | 0.851 | 88% | 0.878 | S | S | * | * | trans | -84.7 | 118.1 | 159 | -96.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 225 | N | 33.2 | Very low | 39 | Very low | 157 Ų | 157 | 158.9 Ų | 158.9 | 84% | 0.84 | 89% | 0.885 | S | S | * | * | trans | -135.6 | 96.4 | 162.3 | -99.2 | -3.4 | 0 | 0 | 0 | 106.5 | ||||
| 226 | C | 48.5 | Very low | 39.3 | Very low | 208 Ų | 208 | 157.8 Ų | 157.8 | 100% | 1.405 | 88% | 0.884 | S | S | * | * | trans | -174.6 | 0 | 149.1 | -88.3 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 226 of 226 residues in 211.4 ms
(Link to these results)