| 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 | 54 | Low | 54.4 | Low | 246 Ų | 246 | 159.7 Ų | 159.7 | 100% | 1.212 | 83% | 0.826 | S | S | * | * | 0 | 122.6 | 0 | -63.7 | 165.9 | -178.5 | 0 | 0 | 108 | |||||
| 2 | K | 55.2 | Low | 54.7 | Low | 204 Ų | 204 | 151.3 Ų | 151.3 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -115.5 | 151.6 | 162.7 | -75.2 | -176.3 | 174.5 | -178.5 | 0 | 106.9 | ||||
| 3 | R | 55.2 | Low | 55.1 | Low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -107.2 | 128.3 | 170.5 | -76.1 | -177.8 | 177.9 | 159.9 | -0.9 | 108.1 | ||||
| 4 | D | 54.7 | Low | 55.2 | Low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 139.1 | 171.5 | -49.1 | -70.8 | 0 | 0 | 0 | 109 | ||||
| 5 | N | 63.6 | Low | 55.2 | Low | 151 Ų | 151 | 144.7 Ų | 144.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -132.4 | 94.6 | 179.9 | -177.8 | 52.6 | 0 | 0 | 0 | 109.9 | G7 | N5-G7 PolarHBondContact O-N 3.07Š| ||
| 6 | S | 48.5 | Very low | 55 | Low | 129 Ų | 129 | 147.7 Ų | 147.7 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -75.7 | 73.1 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 7 | G | 53.2 | Low | 54.7 | Low | 57 Ų | 57 | 151 Ų | 151 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | trans | -86.2 | 109.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N5 N9 | N5-G7 PolarHBondContact O-N 3.07Å; G7-N9 PolarHBondContact O-N 3.23Å | ||
| 8 | N | 51.1 | Low | 54.4 | Low | 131 Ų | 131 | 153.2 Ų | 153.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -67.7 | 111.4 | 176.8 | 169.2 | 60.8 | 0 | 0 | 0 | 112.5 | ||||
| 9 | N | 52.9 | Low | 54.2 | Low | 134 Ų | 134 | 154.6 Ų | 154.6 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -129 | 125.9 | 168.1 | -102.3 | 46.5 | 0 | 0 | 0 | 110.4 | G7 D11 | G7-N9 PolarHBondContact O-N 3.23Å; N9-D11 PolarHBondContact ND2-OD2 3.35Å | ||
| 10 | Q | 55.4 | Low | 53.7 | Low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -101.3 | 51.1 | -179.9 | -65.7 | -174.4 | 8.1 | 0 | 0 | 112.3 | G12 | Q10-G12 VanDerWaalsContact C-N 3.3Å; Q10-G12 PolarHBondContact O-N 3.45Å; Q10-G12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | D | 54.4 | Low | 53.5 | Low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 59.8 | -179.2 | -66.2 | -70.4 | 0 | 0 | 0 | 112.2 | N9 | N9-D11 PolarHBondContact ND2-OD2 3.35Š| ||
| 12 | G | 57.8 | Low | 53.6 | Low | 59 Ų | 59 | 140.4 Ų | 140.4 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 140.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q10 | Q10-G12 VanDerWaalsContact C-N 3.3Å; Q10-G12 PolarHBondContact O-N 3.45Å; Q10-G12 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 61 | Low | 53.8 | Low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.1 | 174.8 | 27.2 | -34.6 | 0 | 0 | 0 | 110.1 | S15 | P13-S15 PolarHBondContact O-N 3.11Å; P13-S15 VanDerWaalsContact O-N 3.13Å |
| 14 | P | 56.4 | Low | 54.4 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.4 | -170.6 | 21.9 | -33.4 | 0 | 0 | 0 | 110.9 | K16 | P14-K16 PolarHBondContact O-N 3.12Å; P14-K16 VanDerWaalsContact O-N 3.14Å |
| 15 | S | 55.3 | Low | 55.1 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 122.9 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | P13 F17 | P13-S15 PolarHBondContact O-N 3.11Å; P13-S15 VanDerWaalsContact O-N 3.13Å; S15-F17 PolarHBondContact O-N 3.06Å |
| 16 | K | 50.7 | Low | 55.9 | Low | 193 Ų | 193 | 122.4 Ų | 122.4 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | trans | -57.5 | 114.7 | -177.8 | -68.6 | 174.6 | -178.1 | 171.6 | 0 | 107.5 | P14 Q18 | P14-K16 PolarHBondContact O-N 3.12Å; P14-K16 VanDerWaalsContact O-N 3.14Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.82Å | ||
| 17 | F | 50.9 | Low | 57.8 | Low | 204 Ų | 204 | 116.3 Ų | 116.3 | 90% | 0.895 | 65% | 0.647 | S | S | * | * | trans | -47.7 | 97.6 | -176.9 | -108.8 | -98.8 | 0 | 0 | 0 | 110.4 | S15 R19 | S15-F17 PolarHBondContact O-N 3.06Å; F17-R19 PolarHBondContact O-N 2.86Å | ||
| 18 | Q | 49.6 | Very low | 59.5 | Low | 190 Ų | 190 | 116.4 Ų | 116.4 | 89% | 0.888 | 64% | 0.639 | S | S | * | * | trans | -74.7 | 86.6 | 172.9 | -176.1 | 171.4 | -5 | 0 | 0 | 104.8 | K16 S20 | K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.82Å; Q18-S20 PolarHBondContact O-N 2.74Å; Q18-S20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | R | 50 | Low | 61.4 | Low | 181 Ų | 181 | 110.9 Ų | 110.9 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | trans | -47 | 124 | -175.8 | -124.4 | -179.9 | -170.1 | -157.3 | -2.9 | 107.5 | F17 | F17-R19 PolarHBondContact O-N 2.86Š| ||
| 20 | S | 43.7 | Very low | 63.3 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | trans | -51.3 | 157.8 | 177.3 | 47 | 0 | 0 | 0 | 0 | 110.1 | Q18 V22 | Q18-S20 PolarHBondContact O-N 2.74Å; Q18-S20 VanDerWaalsContact O-N 3.12Å; S20-V22 PolarHBondContact O-N 3.29Å; S20-V22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | S | 49.5 | Very low | 65.1 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 64% | 0.643 | 54% | 0.541 | S | S | * | . | trans | -38.8 | 123.7 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 110.3 | D23 | S21-D23 PolarHBondContact O-N 3.1Å; S21-D23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | V | 57.3 | Low | 66.9 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | trans | -59.8 | 119.1 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 105.6 | S20 L24 E203 | S20-V22 PolarHBondContact O-N 3.29Å; S20-V22 VanDerWaalsContact O-N 3.13Å; V22-L24 HydrophobicContact CB-CG 4.42Å; V22-L24 HydrophobicContact CG1-CD2 3.95Å; V22-L24 HydrophobicContact CG1-CG 4.24Å; V22-L24 WeakPolarHBondContact O-CG 3.3Å; V22-L24 PolarHBondContact O-N 2.94Å; V22-E203 HydrophobicContact CG1-CB 3.78Å | ||
| 23 | D | 58.2 | Low | 68.4 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | trans | -76.4 | 80.2 | -175.8 | -67.2 | -47.8 | 0 | 0 | 0 | 109.4 | S21 T25 N26 | S21-D23 PolarHBondContact O-N 3.1Å; S21-D23 VanDerWaalsContact O-N 3.1Å; D23-T25 PolarHBondContact O-N 3.28Å; D23-N26 PolarHBondContact O-N 3.4Å | ||
| 24 | L | 69 | Low | 69.8 | Low | 48 Ų | 48 | 83.1 Ų | 83.1 | 25% | 0.251 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 22 | -177.3 | -65.5 | 167 | 0 | 0 | 0 | 113.9 | V22 V27 L78 E200 E203 | V22-L24 HydrophobicContact CB-CG 4.42Å; V22-L24 HydrophobicContact CG1-CD2 3.95Å; V22-L24 HydrophobicContact CG1-CG 4.24Å; V22-L24 WeakPolarHBondContact O-CG 3.3Å; V22-L24 PolarHBondContact O-N 2.94Å; L24-V27 HydrophobicContact CB-CG2 4.31Å; L24-V27 HydrophobicContact CD2-CG2 4.05Å; L24-L78 HydrophobicContact CB-CB 4.24Å; L24-L78 HydrophobicContact CB-CD2 4.34Å; L24-L78 HydrophobicContact CD1-CD2 3.92Å; L24-L78 HydrophobicContact CD2-CD2 4.29Å; L24-L78 HydrophobicContact CG-CD2 4.4Å; L24-L78 PolarHBondContact O-N 2.78Å; L24-E200 HydrophobicContact CD1-CG 4.16Å; L24-E203 HydrophobicContact CD2-CB 4.28Å; L24-E203 HydrophobicContact CD2-CG 4.31Å |
| 25 | T | 68 | Low | 71.2 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -29.1 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | D23 G76 D77 | D23-T25 PolarHBondContact O-N 3.28Å; T25-G76 CarbonylContact O-C 3.58Å; T25-D77 WeakPolarHBondContact CA-OD1 3.4Å; T25-D77 PolarHBondContact O-N 3.11Å |
| 26 | N | 81.3 | Confident | 72.7 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 76% | 0.759 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -119.5 | 55.8 | -179.1 | -71.2 | -59.4 | 0 | 0 | 0 | 111.3 | D23 | D23-N26 PolarHBondContact O-N 3.4Š|
| 27 | V | 87.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.6 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 110 | L24 I29 E75 G76 I81 I199 E203 | L24-V27 HydrophobicContact CB-CG2 4.31Å; L24-V27 HydrophobicContact CD2-CG2 4.05Å; V27-I29 HydrophobicContact CG1-CD1 3.47Å; V27-I29 VanDerWaalsContact CG1-CD1 3.47Å; V27-I29 HydrophobicContact CG1-CG1 3.82Å; V27-E75 CarbonylContact O-C 3.57Å; V27-E75 VanDerWaalsContact O-CA 3.27Å; V27-E75 WeakPolarHBondContact O-CA 3.23Å; V27-G76 WeakPolarHBondContact CB-O 3.18Å; V27-G76 PolarHBondContact N-O 2.86Å; V27-G76 VanDerWaalsContact N-O 3.11Å; V27-G76 PolarHBondContact O-N 2.95Å; V27-I81 HydrophobicContact CB-CD1 4.5Å; V27-I81 HydrophobicContact CG1-CD1 4.4Å; V27-I199 HydrophobicContact CG1-CG2 3.52Å; V27-E203 HydrophobicContact CG1-CG 4.32Å; V27-E203 HydrophobicContact CG2-CG 4.29Å |
| 28 | S | 89.1 | Confident | 76.3 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 100.3 | -178 | 166.4 | 0 | 0 | 0 | 0 | 112 | ||
| 29 | I | 91.1 | Very high | 78.2 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.2 | -176.1 | -61.1 | 138.8 | 0 | 0 | 0 | 111.4 | V27 F31 T73 I74 I81 I137 I199 | V27-I29 HydrophobicContact CG1-CD1 3.47Å; V27-I29 VanDerWaalsContact CG1-CD1 3.47Å; V27-I29 HydrophobicContact CG1-CG1 3.82Å; I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.41Å; I29-F31 HydrophobicContact CG2-CD2 3.95Å; I29-F31 HydrophobicContact CG2-CE1 4.21Å; I29-F31 HydrophobicContact CG2-CE2 3.48Å; I29-F31 VanDerWaalsContact CG2-CE2 3.48Å; I29-F31 HydrophobicContact CG2-CG 4.48Å; I29-F31 HydrophobicContact CG2-CZ 3.63Å; I29-T73 CarbonylContact O-C 3.6Å; I29-T73 WeakPolarHBondContact O-CA 3.48Å; I29-I74 PolarHBondContact N-O 2.65Å; I29-I74 PolarHBondContact O-N 3.42Å; I29-I81 HydrophobicContact CD1-CD1 3.79Å; I29-I81 HydrophobicContact CD1-CG2 4.04Å; I29-I137 HydrophobicContact CG2-CG2 4.18Å; I29-I199 HydrophobicContact CD1-CB 4.39Å; I29-I199 HydrophobicContact CD1-CD1 3.33Å; I29-I199 HydrophobicContact CD1-CG1 3.51Å; I29-I199 HydrophobicContact CD1-CG2 3.94Å; I29-I199 HydrophobicContact CG1-CD1 4.32Å; I29-I199 HydrophobicContact CG1-CG1 3.99Å; I29-I199 HydrophobicContact CG1-CG2 4.39Å |
| 30 | R | 92.8 | Very high | 80.1 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 114 | 173.6 | -67 | -178.4 | -70 | 124 | -0.2 | 109.8 | I71 M72 T73 I137 L138 D179 D213 | R30-I71 HydrophobicContact CB-CG2 4.05Å; R30-I71 HydrophobicContact CG-CG2 4.33Å; R30-M72 WeakPolarHBondContact CA-O 3.43Å; R30-T73 HydrophobicContact CG-CG2 4.08Å; R30-I137 WeakPolarHBondContact O-CA 3.44Å; R30-L138 HydrophobicContact CB-CB 4.13Å; R30-L138 HydrophobicContact CB-CD1 4.29Å; R30-L138 PolarHBondContact O-N 2.63Å; R30-D179 IonicContact CZ-OD1 2.98Å; R30-D179 IonicContact CZ-OD2 3.04Å; R30-D179 VanDerWaalsContact CZ-OD2 3.32Å; R30-D179 IonicContact NH1-OD1 3.13Å; R30-D179 IonicContact NH1-OD2 2.75Å; R30-D179 PolarHBondContact NH1-OD2 3.26Å; R30-D179 VanDerWaalsContact NH2-CG 3.28Å; R30-D179 IonicContact NH2-OD1 3.96Å; R30-D179 PolarHBondContact NH2-OD1 3.45Å; R30-D179 IonicContact NH2-OD2 2.7Å; R30-D179 PolarHBondContact NH2-OD2 3.14Å; R30-D213 IonicContact CZ-OD1 3.72Å; R30-D213 VanDerWaalsContact CZ-OD1 3.29Å; R30-D213 IonicContact CZ-OD2 2.78Å; R30-D213 IonicContact NE-OD1 2.92Å; R30-D213 IonicContact NE-OD2 3.67Å; R30-D213 PolarHBondContact NE-OD2 3.02Å; R30-D213 IonicContact NH1-OD1 2.87Å; R30-D213 VanDerWaalsContact NH2-CG 3.31Å; R30-D213 IonicContact NH2-OD1 2.99Å; R30-D213 PolarHBondContact NH2-OD1 3.38Å; R30-D213 IonicContact NH2-OD2 3.29Å |
| 31 | F | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.9 | 173.2 | -61.9 | -92.1 | 0 | 0 | 0 | 110.1 | I29 I33 I71 M72 I74 I81 M85 R136 I137 L195 | I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.41Å; I29-F31 HydrophobicContact CG2-CD2 3.95Å; I29-F31 HydrophobicContact CG2-CE1 4.21Å; I29-F31 HydrophobicContact CG2-CE2 3.48Å; I29-F31 VanDerWaalsContact CG2-CE2 3.48Å; I29-F31 HydrophobicContact CG2-CG 4.48Å; I29-F31 HydrophobicContact CG2-CZ 3.63Å; F31-I33 HydrophobicContact CB-CG2 4.28Å; F31-I71 WeakPolarHBondContact O-CA 3.44Å; F31-M72 HydrophobicContact CB-CB 4.29Å; F31-M72 HydrophobicContact CB-CE 3.93Å; F31-M72 HydrophobicContact CD2-CE 4.24Å; F31-M72 HydrophobicContact CD2-SD 4.06Å; F31-M72 HydrophobicContact CG-CE 4.17Å; F31-M72 PolarHBondContact N-O 3.37Å; F31-M72 PolarHBondContact O-N 3.47Å; F31-I74 HydrophobicContact CD2-CD1 4.06Å; F31-I74 HydrophobicContact CD2-CG1 4.02Å; F31-I74 HydrophobicContact CE2-CD1 3.62Å; F31-I74 HydrophobicContact CE2-CG1 3.85Å; F31-I81 HydrophobicContact CZ-CG2 4.42Å; F31-M85 HydrophobicContact CD1-CE 3.81Å; F31-M85 HydrophobicContact CE1-CE 3.29Å; F31-M85 HydrophobicContact CE1-SD 4.11Å; F31-M85 HydrophobicContact CE2-SD 4.43Å; F31-M85 HydrophobicContact CZ-CE 3.75Å; F31-M85 HydrophobicContact CZ-SD 3.99Å; F31-R136 CarbonylContact C-O 3.59Å; F31-R136 WeakPolarHBondContact CA-O 3.32Å; F31-I137 HydrophobicContact CD1-CG2 3.41Å; F31-I137 VanDerWaalsContact CD1-CG2 3.41Å; F31-I137 HydrophobicContact CE1-CG2 3.5Å; F31-I137 VanDerWaalsContact CE1-CG2 3.5Å; F31-I137 HydrophobicContact CG-CG2 4.21Å; F31-I137 HydrophobicContact CZ-CG2 4.38Å; F31-L195 HydrophobicContact CE1-CD1 3.8Å; F31-L195 HydrophobicContact CE1-CD2 3.97Å; F31-L195 HydrophobicContact CZ-CD1 4.09Å; F31-L195 HydrophobicContact CZ-CD2 4.06Å |
| 32 | L | 92 | Very high | 84.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.9 | 172.6 | -173.1 | 62.7 | 0 | 0 | 0 | 108.7 | E69 I71 R136 L138 V181 Y214 W230 | L32-E69 HydrophobicContact CD1-CB 4.08Å; L32-E69 HydrophobicContact CD1-CG 4.16Å; L32-I71 HydrophobicContact CD1-CG1 4.15Å; L32-R136 HydrophobicContact CB-CB 4.2Å; L32-R136 PolarHBondContact N-O 2.97Å; L32-L138 HydrophobicContact CB-CD1 4.33Å; L32-L138 HydrophobicContact CB-CG 4.21Å; L32-L138 HydrophobicContact CD1-CD1 4.47Å; L32-L138 HydrophobicContact CD2-CD2 4.48Å; L32-V181 HydrophobicContact CD2-CG1 4.48Å; L32-V181 HydrophobicContact CD2-CG2 3.73Å; L32-Y214 HydrophobicContact CD1-CD1 4.31Å; L32-Y214 HydrophobicContact CD1-CE1 3.96Å; L32-W230 PolarHBondContact O-NE1 3.33Å |
| 33 | I | 91.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.9 | -173.9 | 56.1 | 167 | 0 | 0 | 0 | 111.1 | F31 A37 A38 M41 E69 R70 M72 M96 | F31-I33 HydrophobicContact CB-CG2 4.28Å; I33-A37 HydrophobicContact CB-CB 4.43Å; I33-A38 HydrophobicContact CD1-CB 3.69Å; I33-A38 HydrophobicContact CG1-CB 4.49Å; I33-M41 HydrophobicContact CD1-SD 4.28Å; I33-E69 CarbonylContact O-C 3.59Å; I33-E69 WeakPolarHBondContact O-CA 3.06Å; I33-R70 HydrophobicContact CG1-CB 4.27Å; I33-R70 VanDerWaalsContact CG1-O 3.29Å; I33-R70 WeakPolarHBondContact CG1-O 3.46Å; I33-R70 PolarHBondContact N-O 3.48Å; I33-R70 PolarHBondContact O-N 3.46Å; I33-R70 VanDerWaalsContact O-O 3.12Å; I33-M72 HydrophobicContact CD1-CB 3.89Å; I33-M72 HydrophobicContact CD1-CE 4.21Å; I33-M72 HydrophobicContact CG1-CB 4.25Å; I33-M72 HydrophobicContact CG2-CE 3.78Å; I33-M96 HydrophobicContact CG2-SD 4.25Å |
| 34 | P | 88.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.5 | 171.8 | 29.1 | -31.9 | 0 | 0 | 0 | 110 | R36 A37 A38 P68 I95 M96 W230 | P34-R36 PolarHBondContact O-N 3.05Å; P34-R36 VanDerWaalsContact O-N 3.08Å; P34-A37 HydrophobicContact CG-CB 3.81Å; P34-A37 WeakPolarHBondContact O-CA 3.43Å; P34-A37 WeakPolarHBondContact O-CB 3.17Å; P34-A37 PolarHBondContact O-N 3.42Å; P34-A38 PolarHBondContact O-N 3.45Å; P34-P68 CarbonylContact C-O 3.52Å; P34-P68 WeakPolarHBondContact CA-O 3.46Å; P34-I95 HydrophobicContact CB-CG2 4.47Å; P34-I95 HydrophobicContact CG-CG2 3.66Å; P34-M96 HydrophobicContact CG-CG 3.99Å; P34-M96 HydrophobicContact CG-SD 4.44Å; P34-W230 HydrophobicContact CB-CB 4.32Å; P34-W230 HydrophobicContact CB-CD2 4.05Å; P34-W230 HydrophobicContact CB-CE3 4.26Å; P34-W230 HydrophobicContact CB-CG 4.06Å; P34-W230 HydrophobicContact CG-CD2 4.15Å; P34-W230 HydrophobicContact CG-CE3 4.26Å |
| 35 | G | 87.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -29.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A38 G39 P68 | G35-A38 WeakPolarHBondContact O-CB 3.49Å; G35-A38 PolarHBondContact O-N 3.43Å; G35-G39 PolarHBondContact O-N 2.91Å; G35-P68 PolarHBondContact N-O 2.98Å |
| 36 | R | 85.8 | Confident | 89.4 | Confident | 135 Ų | 135 | 41.8 Ų | 41.8 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 172.4 | -64.1 | -172.8 | -71.7 | 141.6 | -0.6 | 112.7 | P34 G39 I40 I95 | P34-R36 PolarHBondContact O-N 3.05Å; P34-R36 VanDerWaalsContact O-N 3.08Å; R36-G39 PolarHBondContact O-N 3.34Å; R36-I40 PolarHBondContact O-N 3Å; R36-I95 HydrophobicContact CB-CD1 4.01Å; R36-I95 HydrophobicContact CB-CG2 3.99Å |
| 37 | A | 88.9 | Confident | 90 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I33 P34 G39 I40 M41 L92 I95 M96 | I33-A37 HydrophobicContact CB-CB 4.43Å; P34-A37 HydrophobicContact CG-CB 3.81Å; P34-A37 WeakPolarHBondContact O-CA 3.43Å; P34-A37 WeakPolarHBondContact O-CB 3.17Å; P34-A37 PolarHBondContact O-N 3.42Å; A37-G39 VanDerWaalsContact C-N 3.27Å; A37-G39 PolarHBondContact O-N 3.25Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-I40 VanDerWaalsContact O-N 3.11Å; A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3Å; A37-L92 HydrophobicContact CB-CD1 3.97Å; A37-L92 HydrophobicContact CB-CD2 3.62Å; A37-L92 HydrophobicContact CB-CG 4.39Å; A37-I95 HydrophobicContact CB-CG2 4.07Å; A37-M96 HydrophobicContact CB-CG 4.32Å; A37-M96 HydrophobicContact CB-SD 4.09Å |
| 38 | A | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I33 P34 G35 I40 M41 I42 I62 R70 | I33-A38 HydrophobicContact CD1-CB 3.69Å; I33-A38 HydrophobicContact CG1-CB 4.49Å; P34-A38 PolarHBondContact O-N 3.45Å; G35-A38 WeakPolarHBondContact O-CB 3.49Å; G35-A38 PolarHBondContact O-N 3.43Å; A38-I40 PolarHBondContact O-N 2.81Å; A38-M41 PolarHBondContact O-N 2.97Å; A38-I42 WeakPolarHBondContact O-CB 3.29Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.13Å; A38-I42 PolarHBondContact O-N 3.21Å; A38-I62 HydrophobicContact CB-CG2 4.16Å; A38-R70 HydrophobicContact CB-CB 4.16Å; A38-R70 HydrophobicContact CB-CG 4.41Å |
| 39 | G | 88.7 | Confident | 90.3 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 45% | 0.454 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G35 R36 A37 G43 | G35-G39 PolarHBondContact O-N 2.91Å; R36-G39 PolarHBondContact O-N 3.34Å; A37-G39 VanDerWaalsContact C-N 3.27Å; A37-G39 PolarHBondContact O-N 3.25Å; G39-G43 PolarHBondContact O-N 3.21Å |
| 40 | I | 88.9 | Confident | 90.4 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 175.1 | -65.4 | -167.9 | 0 | 0 | 0 | 111.4 | R36 A37 A38 G43 K91 L92 I95 | R36-I40 PolarHBondContact O-N 3Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-I40 VanDerWaalsContact O-N 3.11Å; A38-I40 PolarHBondContact O-N 2.81Å; I40-G43 PolarHBondContact O-N 3.34Å; I40-K91 HydrophobicContact CG2-CB 4.05Å; I40-L92 HydrophobicContact CB-CD2 4.05Å; I40-L92 HydrophobicContact CG2-CD2 4.09Å; I40-I95 HydrophobicContact CD1-CD1 3.49Å; I40-I95 VanDerWaalsContact CD1-CD1 3.49Å; I40-I95 HydrophobicContact CG1-CD1 4.14Å |
| 41 | M | 89.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.1 | -36.3 | 179.9 | -68.7 | -169 | 68.5 | 0 | 0 | 113.4 | I33 A37 A38 N48 I49 I62 M72 V88 L92 | I33-M41 HydrophobicContact CD1-SD 4.28Å; A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3Å; A38-M41 PolarHBondContact O-N 2.97Å; M41-N48 PolarHBondContact O-ND2 3.21Å; M41-I49 PolarHBondContact O-N 2.82Å; M41-I62 HydrophobicContact CB-CD1 4.27Å; M41-M72 HydrophobicContact CE-CE 3.45Å; M41-M72 VanDerWaalsContact CE-CE 3.45Å; M41-M72 HydrophobicContact CE-CG 4.44Å; M41-M72 HydrophobicContact CE-SD 3.53Å; M41-M72 VanDerWaalsContact CE-SD 3.53Å; M41-M72 HydrophobicContact SD-CE 3.4Å; M41-M72 WeakPolarHBondContact SD-CE 3.36Å; M41-M72 HydrophobicContact SD-SD 4.22Å; M41-V88 HydrophobicContact CE-CG1 3.89Å; M41-V88 HydrophobicContact CE-CG2 3.89Å; M41-V88 HydrophobicContact CG-CG1 4.16Å; M41-V88 HydrophobicContact SD-CG1 3.86Å; M41-L92 HydrophobicContact CG-CD1 4.12Å; M41-L92 HydrophobicContact CG-CD2 4.36Å; M41-L92 HydrophobicContact SD-CD1 3.86Å |
| 42 | I | 91.7 | Very high | 90.4 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.205 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -47.7 | 171.9 | -65.6 | 166.8 | 0 | 0 | 0 | 109.3 | A38 G46 N48 I49 I62 | A38-I42 WeakPolarHBondContact O-CB 3.29Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.13Å; A38-I42 PolarHBondContact O-N 3.21Å; I42-G46 CarbonylContact O-C 3.54Å; I42-G46 VanDerWaalsContact O-C 3.31Å; I42-G46 WeakPolarHBondContact O-CA 3.45Å; I42-N48 PolarHBondContact O-N 3.45Å; I42-I49 HydrophobicContact CB-CG2 4.4Å; I42-I49 HydrophobicContact CG2-CG2 4.12Å; I42-I49 PolarHBondContact O-N 3.43Å; I42-I49 VanDerWaalsContact O-N 3.14Å; I42-I62 HydrophobicContact CD1-CB 4.43Å; I42-I62 HydrophobicContact CD1-CD1 4.46Å; I42-I62 HydrophobicContact CD1-CG2 4.24Å; I42-I62 HydrophobicContact CG1-CD1 3.95Å |
| 43 | G | 88.8 | Confident | 90.4 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | trans | 73.9 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G39 I40 G45 G46 | G39-G43 PolarHBondContact O-N 3.21Å; I40-G43 PolarHBondContact O-N 3.34Å; G43-G45 PolarHBondContact O-N 2.9Å; G43-G46 PolarHBondContact O-N 2.71Å; G43-G46 VanDerWaalsContact O-N 3.11Å | ||
| 44 | K | 91.6 | Very high | 90.5 | Very high | 196 Ų | 196 | 61.3 Ų | 61.3 | 85% | 0.852 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -58.5 | 132.2 | 177.5 | -60.4 | -179.5 | -177.3 | 178.7 | 0 | 109.3 | G46 E47 | K44-G46 PolarHBondContact O-N 2.8Å; K44-E47 WeakPolarHBondContact O-CB 3.5Å; K44-E47 PolarHBondContact O-N 2.69Å; K44-E47 VanDerWaalsContact O-N 3.12Å |
| 45 | G | 89.7 | Confident | 90.7 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 74% | 0.742 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | 61.7 | 12.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G43 E47 K50 | G43-G45 PolarHBondContact O-N 2.9Å; G45-E47 VanDerWaalsContact C-N 3.26Å; G45-E47 PolarHBondContact O-N 3.32Å; G45-K50 PolarHBondContact O-NZ 2.74Å; G45-K50 VanDerWaalsContact O-NZ 3.07Å |
| 46 | G | 90.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 69.1 | 20.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I42 G43 K44 I49 K50 | I42-G46 CarbonylContact O-C 3.54Å; I42-G46 VanDerWaalsContact O-C 3.31Å; I42-G46 WeakPolarHBondContact O-CA 3.45Å; G43-G46 PolarHBondContact O-N 2.71Å; G43-G46 VanDerWaalsContact O-N 3.11Å; K44-G46 PolarHBondContact O-N 2.8Å; G46-I49 WeakPolarHBondContact O-CG2 3.32Å; G46-K50 WeakPolarHBondContact O-CB 3.43Å; G46-K50 VanDerWaalsContact O-CD 3.3Å; G46-K50 WeakPolarHBondContact O-CD 3.44Å; G46-K50 WeakPolarHBondContact O-CG 3.25Å; G46-K50 PolarHBondContact O-N 2.8Å; G46-K50 VanDerWaalsContact O-N 3.1Å |
| 47 | E | 92.9 | Very high | 91.1 | Very high | 147 Ų | 147 | 66.5 Ų | 66.5 | 69% | 0.687 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | -176.6 | -168.3 | -171.5 | 157.1 | 0 | 0 | 112.5 | K44 G45 K50 K51 | K44-E47 WeakPolarHBondContact O-CB 3.5Å; K44-E47 PolarHBondContact O-N 2.69Å; K44-E47 VanDerWaalsContact O-N 3.12Å; G45-E47 VanDerWaalsContact C-N 3.26Å; G45-E47 PolarHBondContact O-N 3.32Å; E47-K50 PolarHBondContact O-N 2.99Å; E47-K51 WeakPolarHBondContact O-CB 3.27Å; E47-K51 PolarHBondContact O-N 2.94Å |
| 48 | N | 92.1 | Very high | 91.2 | Very high | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | -177.1 | -177.8 | 90.7 | 0 | 0 | 0 | 111.6 | M41 I42 K51 I52 K91 | M41-N48 PolarHBondContact O-ND2 3.21Å; I42-N48 PolarHBondContact O-N 3.45Å; N48-K51 PolarHBondContact O-N 3.38Å; N48-I52 VanDerWaalsContact ND2-CD1 3.31Å; N48-I52 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I52 WeakPolarHBondContact O-CG1 3.26Å; N48-I52 PolarHBondContact O-N 3.14Å; N48-K91 PolarHBondContact OD1-NZ 2.87Å |
| 49 | I | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 172.8 | -177 | 171.9 | 0 | 0 | 0 | 112.2 | M41 I42 G46 I52 R53 L60 I62 | M41-I49 PolarHBondContact O-N 2.82Å; I42-I49 HydrophobicContact CB-CG2 4.4Å; I42-I49 HydrophobicContact CG2-CG2 4.12Å; I42-I49 PolarHBondContact O-N 3.43Å; I42-I49 VanDerWaalsContact O-N 3.14Å; G46-I49 WeakPolarHBondContact O-CG2 3.32Å; I49-I52 PolarHBondContact O-N 2.72Å; I49-R53 HydrophobicContact CG1-CG 4.46Å; I49-R53 VanDerWaalsContact O-CG 3.29Å; I49-R53 WeakPolarHBondContact O-CG 3.34Å; I49-R53 PolarHBondContact O-N 3.34Å; I49-L60 HydrophobicContact CD1-CD2 3.87Å; I49-L60 HydrophobicContact CG1-CD2 4.23Å; I49-I62 HydrophobicContact CD1-CD1 4.44Å |
| 50 | K | 93.1 | Very high | 91.5 | Very high | 124 Ų | 124 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 172.9 | -73.9 | 163.3 | -173.9 | 160.8 | 0 | 110.8 | G45 G46 E47 I52 R53 S54 | G45-K50 PolarHBondContact O-NZ 2.74Å; G45-K50 VanDerWaalsContact O-NZ 3.07Å; G46-K50 WeakPolarHBondContact O-CB 3.43Å; G46-K50 VanDerWaalsContact O-CD 3.3Å; G46-K50 WeakPolarHBondContact O-CD 3.44Å; G46-K50 WeakPolarHBondContact O-CG 3.25Å; G46-K50 PolarHBondContact O-N 2.8Å; G46-K50 VanDerWaalsContact O-N 3.1Å; E47-K50 PolarHBondContact O-N 2.99Å; K50-I52 PolarHBondContact O-N 3.44Å; K50-R53 PolarHBondContact O-N 2.87Å; K50-S54 PolarHBondContact O-N 2.97Å; K50-S54 PolarHBondContact O-OG 3.11Å |
| 51 | K | 93.1 | Very high | 91.7 | Very high | 128 Ų | 128 | 71.3 Ų | 71.3 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.9 | -48.1 | 176.1 | -179.8 | 174.9 | 174.6 | 176.2 | 0 | 111.7 | E47 N48 S54 Q55 | E47-K51 WeakPolarHBondContact O-CB 3.27Å; E47-K51 PolarHBondContact O-N 2.94Å; N48-K51 PolarHBondContact O-N 3.38Å; K51-S54 PolarHBondContact O-N 3.47Å; K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.48Å |
| 52 | I | 92.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.7 | -72.9 | 170.4 | 0 | 0 | 0 | 111.6 | N48 I49 K50 S54 Q55 Y56 V58 L60 I84 V88 | N48-I52 VanDerWaalsContact ND2-CD1 3.31Å; N48-I52 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I52 WeakPolarHBondContact O-CG1 3.26Å; N48-I52 PolarHBondContact O-N 3.14Å; I49-I52 PolarHBondContact O-N 2.72Å; K50-I52 PolarHBondContact O-N 3.44Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 2.91Å; I52-Q55 PolarHBondContact O-N 3.06Å; I52-Y56 HydrophobicContact CG2-CD2 4.26Å; I52-Y56 WeakPolarHBondContact O-CD2 3.31Å; I52-Y56 PolarHBondContact O-N 3.28Å; I52-V58 HydrophobicContact CG2-CG2 4.47Å; I52-L60 HydrophobicContact CB-CD1 4.5Å; I52-L60 HydrophobicContact CG2-CD1 3.61Å; I52-I84 HydrophobicContact CG2-CD1 4.02Å; I52-I84 HydrophobicContact CG2-CG1 3.96Å; I52-I84 HydrophobicContact CG2-CG2 3.95Å; I52-V88 HydrophobicContact CD1-CG2 4.15Å |
| 53 | R | 92 | Very high | 91.6 | Very high | 100 Ų | 100 | 73 Ų | 73 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 176 | -72 | 171.1 | 178.3 | 173.4 | -0.1 | 111.4 | I49 K50 N57 V58 L60 | I49-R53 HydrophobicContact CG1-CG 4.46Å; I49-R53 VanDerWaalsContact O-CG 3.29Å; I49-R53 WeakPolarHBondContact O-CG 3.34Å; I49-R53 PolarHBondContact O-N 3.34Å; K50-R53 PolarHBondContact O-N 2.87Å; R53-N57 VanDerWaalsContact O-CA 3.26Å; R53-N57 WeakPolarHBondContact O-CA 3.45Å; R53-N57 PolarHBondContact O-N 2.98Å; R53-V58 PolarHBondContact O-N 3.01Å; R53-L60 HydrophobicContact CG-CB 4.07Å; R53-L60 PolarHBondContact NE-O 2.8Å; R53-L60 PolarHBondContact NH2-O 3.1Å |
| 54 | S | 92.6 | Very high | 91.4 | Very high | 104 Ų | 104 | 78.5 Ų | 78.5 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.9 | -37.2 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | K50 K51 I52 | K50-S54 PolarHBondContact O-N 2.97Å; K50-S54 PolarHBondContact O-OG 3.11Å; K51-S54 PolarHBondContact O-N 3.47Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 2.91Å |
| 55 | Q | 92.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.8 | -31.3 | -176.4 | 179.1 | 176.6 | -36.9 | 0 | 0 | 112.6 | K51 I52 | K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.48Å; I52-Q55 PolarHBondContact O-N 3.06Å |
| 56 | Y | 90.7 | Very high | 90.4 | Very high | 40 Ų | 40 | 78.8 Ų | 78.8 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -116.7 | 1.6 | -175.7 | -63.6 | -77.3 | 0 | 0 | 0 | 114 | I52 V58 I84 D87 | I52-Y56 HydrophobicContact CG2-CD2 4.26Å; I52-Y56 WeakPolarHBondContact O-CD2 3.31Å; I52-Y56 PolarHBondContact O-N 3.28Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.13Å; Y56-I84 HydrophobicContact CD1-CG1 4.15Å; Y56-I84 HydrophobicContact CD2-CD1 4.1Å; Y56-I84 HydrophobicContact CD2-CG1 3.36Å; Y56-I84 HydrophobicContact CE1-CG1 4.49Å; Y56-I84 HydrophobicContact CE2-CG1 3.74Å; Y56-I84 HydrophobicContact CG-CD1 4.05Å; Y56-I84 HydrophobicContact CG-CG1 3.57Å; Y56-D87 PolarHBondContact OH-OD1 3.11Å; Y56-D87 VanDerWaalsContact OH-OD1 3.06Å; Y56-D87 PolarHBondContact OH-OD2 3.05Å |
| 57 | N | 90.4 | Very high | 89.8 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 77% | 0.765 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.1 | -176 | -165.7 | 51 | 0 | 0 | 0 | 114 | R53 | R53-N57 VanDerWaalsContact O-CA 3.26Å; R53-N57 WeakPolarHBondContact O-CA 3.45Å; R53-N57 PolarHBondContact O-N 2.98Å |
| 58 | V | 91.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -108.5 | 150.3 | -179 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | I52 R53 Y56 L60 I74 E75 A80 I84 | I52-V58 HydrophobicContact CG2-CG2 4.47Å; R53-V58 PolarHBondContact O-N 3.01Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.13Å; V58-L60 HydrophobicContact CG2-CB 4.31Å; V58-L60 PolarHBondContact O-N 2.83Å; V58-I74 HydrophobicContact CB-CG2 4.11Å; V58-I74 HydrophobicContact CG1-CG2 4.44Å; V58-I74 HydrophobicContact CG2-CG2 4.15Å; V58-E75 WeakPolarHBondContact CA-O 2.9Å; V58-E75 WeakPolarHBondContact CB-O 3.39Å; V58-A80 HydrophobicContact CG1-CB 3.74Å; V58-I84 HydrophobicContact CB-CD1 4.2Å; V58-I84 HydrophobicContact CG1-CD1 3.79Å; V58-I84 HydrophobicContact CG2-CD1 3.45Å; V58-I84 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 59 | K | 92 | Very high | 89.3 | Confident | 127 Ų | 127 | 71.6 Ų | 71.6 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 89 | 168.5 | 169.4 | 164.5 | 172.7 | -82.9 | 0 | 109.2 | E75 | K59-E75 HydrophobicContact CB-CB 4.03Å; K59-E75 WeakPolarHBondContact CD-OE2 3.28Å; K59-E75 HydrophobicContact CG-CB 4.39Å; K59-E75 PolarHBondContact N-O 3.37Å; K59-E75 IonicContact NZ-OE1 3.65Å; K59-E75 PolarHBondContact NZ-OE1 3.21Å; K59-E75 IonicContact NZ-OE2 2.65Å; K59-E75 PolarHBondContact NZ-OE2 2.76Å; K59-E75 PolarHBondContact O-N 3.05Å |
| 60 | L | 92.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.3 | 176.7 | -159.5 | 171.1 | 0 | 0 | 0 | 110.1 | I49 I52 R53 V58 I62 M72 T73 I74 | I49-L60 HydrophobicContact CD1-CD2 3.87Å; I49-L60 HydrophobicContact CG1-CD2 4.23Å; I52-L60 HydrophobicContact CB-CD1 4.5Å; I52-L60 HydrophobicContact CG2-CD1 3.61Å; R53-L60 HydrophobicContact CG-CB 4.07Å; R53-L60 PolarHBondContact NE-O 2.8Å; R53-L60 PolarHBondContact NH2-O 3.1Å; V58-L60 HydrophobicContact CG2-CB 4.31Å; V58-L60 PolarHBondContact O-N 2.83Å; L60-I62 HydrophobicContact CD2-CD1 3.9Å; L60-I62 HydrophobicContact CD2-CG1 3.73Å; L60-M72 HydrophobicContact CD2-CG 3.8Å; L60-M72 HydrophobicContact CD2-SD 4.42Å; L60-T73 CarbonylContact C-O 3.53Å; L60-T73 WeakPolarHBondContact CA-O 3.48Å; L60-I74 HydrophobicContact CG-CG1 4.24Å; L60-I74 HydrophobicContact CG-CG2 4.47Å |
| 61 | N | 92.7 | Very high | 89.2 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.6 | 176.8 | -170.3 | 26.9 | 0 | 0 | 0 | 112.3 | M72 T73 | N61-M72 CarbonylContact O-C 3.31Å; N61-M72 WeakPolarHBondContact O-CA 3.4Å; N61-T73 PolarHBondContact N-O 3.13Å; N61-T73 PolarHBondContact O-N 3.22Å |
| 62 | I | 91.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | trans | -140 | 99.8 | 174.2 | -55.7 | 173.4 | 0 | 0 | 0 | 107.5 | A38 M41 I42 I49 L60 R70 M72 | A38-I62 HydrophobicContact CB-CG2 4.16Å; M41-I62 HydrophobicContact CB-CD1 4.27Å; I42-I62 HydrophobicContact CD1-CB 4.43Å; I42-I62 HydrophobicContact CD1-CD1 4.46Å; I42-I62 HydrophobicContact CD1-CG2 4.24Å; I42-I62 HydrophobicContact CG1-CD1 3.95Å; I49-I62 HydrophobicContact CD1-CD1 4.44Å; L60-I62 HydrophobicContact CD2-CD1 3.9Å; L60-I62 HydrophobicContact CD2-CG1 3.73Å; I62-R70 HydrophobicContact CG2-CB 4.46Å; I62-M72 HydrophobicContact CD1-CB 4.48Å; I62-M72 HydrophobicContact CD1-CG 3.94Å; I62-M72 HydrophobicContact CG1-CB 4.03Å; I62-M72 HydrophobicContact CG1-CG 3.69Å | ||
| 63 | P | 88.8 | Confident | 89.2 | Confident | 62 Ų | 62 | 62 Ų | 62 | 40% | 0.403 | 31% | 0.309 | S | S | . | . | trans | -63.5 | 153 | 171.2 | 25.1 | -35 | 0 | 0 | 0 | 112.8 | S65 I71 | P63-S65 PolarHBondContact O-N 3.12Å; P63-I71 WeakPolarHBondContact CD-O 3.42Å | ||
| 64 | D | 85.5 | Confident | 89.3 | Confident | 140 Ų | 140 | 57.3 Ų | 57.3 | 75% | 0.749 | 29% | 0.291 | S | S | * | . | trans | -78.9 | 102.6 | 172.2 | -89.2 | -59.8 | 0 | 0 | 0 | 111.3 | R70 | D64-R70 IonicContact OD1-CZ 2.63Å; D64-R70 IonicContact OD1-NH1 2.71Å; D64-R70 PolarHBondContact OD1-NH1 2.78Å; D64-R70 IonicContact OD1-NH2 3.12Å; D64-R70 PolarHBondContact OD1-NH2 3.33Å | ||
| 65 | S | 80.3 | Confident | 89.2 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | trans | -89 | 159.1 | 164.3 | 80.1 | 0 | 0 | 0 | 0 | 111.4 | P63 G67 E69 R70 | P63-S65 PolarHBondContact O-N 3.12Å; S65-G67 PolarHBondContact OG-N 2.77Å; S65-E69 PolarHBondContact OG-O 3.15Å; S65-R70 PolarHBondContact O-NE 2.66Å; S65-R70 PolarHBondContact O-NH2 3.18Å; S65-R70 WeakPolarHBondContact OG-CG 3.45Å | ||
| 66 | R | 78.4 | Confident | 89.1 | Confident | 257 Ų | 257 | 51.3 Ų | 51.3 | 97% | 0.97 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -91.7 | -6.4 | 166.8 | -64.1 | -178.6 | -179.6 | 173.8 | 0.5 | 113.4 | ||
| 67 | G | 79.4 | Confident | 89.1 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -82.7 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S65 E69 F219 | S65-G67 PolarHBondContact OG-N 2.77Å; G67-E69 PolarHBondContact O-N 3.44Å; G67-F219 VanDerWaalsContact CA-CE1 3.43Å |
| 68 | P | 85 | Confident | 89 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -67.5 | -17.6 | 173.7 | 30.7 | -36.5 | 0 | 0 | 0 | 112.8 | P34 G35 F219 W230 | P34-P68 CarbonylContact C-O 3.52Å; P34-P68 WeakPolarHBondContact CA-O 3.46Å; G35-P68 PolarHBondContact N-O 2.98Å; P68-F219 VanDerWaalsContact CD-CD2 3.44Å; P68-F219 HydrophobicContact CG-CD2 3.8Å; P68-F219 HydrophobicContact CG-CE2 3.88Å; P68-F219 HydrophobicContact CG-CG 4.43Å; P68-W230 VanDerWaalsContact CG-O 3.25Å; P68-W230 WeakPolarHBondContact CG-O 3.48Å |
| 69 | E | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 158.1 | 179.1 | 59.1 | -175 | -162.7 | 0 | 0 | 113.1 | L32 I33 S65 G67 Y214 A216 F219 Y227 G229 W230 | L32-E69 HydrophobicContact CD1-CB 4.08Å; L32-E69 HydrophobicContact CD1-CG 4.16Å; I33-E69 CarbonylContact O-C 3.59Å; I33-E69 WeakPolarHBondContact O-CA 3.06Å; S65-E69 PolarHBondContact OG-O 3.15Å; G67-E69 PolarHBondContact O-N 3.44Å; E69-Y214 WeakPolarHBondContact OE1-CE1 3.34Å; E69-Y214 PolarHBondContact OE1-OH 3.22Å; E69-A216 HydrophobicContact CG-CB 4.2Å; E69-A216 WeakPolarHBondContact O-CB 3.41Å; E69-F219 HydrophobicContact CG-CB 4.28Å; E69-Y227 PolarHBondContact OE1-OH 2.91Å; E69-G229 WeakPolarHBondContact OE2-CA 3.35Å; E69-W230 HydrophobicContact CB-CB 4.14Å; E69-W230 HydrophobicContact CB-CG 4.49Å; E69-W230 PolarHBondContact OE2-N 3.1Å |
| 70 | R | 91.8 | Very high | 88.9 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.9 | 177.3 | -79.2 | -179.9 | 176.9 | -147.9 | -2.5 | 109.7 | I33 A38 I62 D64 S65 | I33-R70 HydrophobicContact CG1-CB 4.27Å; I33-R70 VanDerWaalsContact CG1-O 3.29Å; I33-R70 WeakPolarHBondContact CG1-O 3.46Å; I33-R70 PolarHBondContact N-O 3.48Å; I33-R70 PolarHBondContact O-N 3.46Å; I33-R70 VanDerWaalsContact O-O 3.12Å; A38-R70 HydrophobicContact CB-CB 4.16Å; A38-R70 HydrophobicContact CB-CG 4.41Å; I62-R70 HydrophobicContact CG2-CB 4.46Å; D64-R70 IonicContact OD1-CZ 2.63Å; D64-R70 IonicContact OD1-NH1 2.71Å; D64-R70 PolarHBondContact OD1-NH1 2.78Å; D64-R70 IonicContact OD1-NH2 3.12Å; D64-R70 PolarHBondContact OD1-NH2 3.33Å; S65-R70 PolarHBondContact O-NE 2.66Å; S65-R70 PolarHBondContact O-NH2 3.18Å; S65-R70 WeakPolarHBondContact OG-CG 3.45Å |
| 71 | I | 91.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.7 | 175.4 | -60.3 | 174 | 0 | 0 | 0 | 108.2 | R30 F31 L32 P63 L138 Y214 A216 | R30-I71 HydrophobicContact CB-CG2 4.05Å; R30-I71 HydrophobicContact CG-CG2 4.33Å; F31-I71 WeakPolarHBondContact O-CA 3.44Å; L32-I71 HydrophobicContact CD1-CG1 4.15Å; P63-I71 WeakPolarHBondContact CD-O 3.42Å; I71-L138 HydrophobicContact CD1-CD1 3.77Å; I71-L138 HydrophobicContact CG1-CD1 3.82Å; I71-L138 HydrophobicContact CG2-CD1 4.07Å; I71-Y214 VanDerWaalsContact CD1-C 3.44Å; I71-Y214 HydrophobicContact CD1-CD1 3.7Å; I71-Y214 HydrophobicContact CD1-CE1 4.48Å; I71-Y214 HydrophobicContact CD1-CG 4.13Å; I71-Y214 WeakPolarHBondContact CD1-O 3.39Å; I71-Y214 HydrophobicContact CG1-CD1 4.37Å; I71-A216 HydrophobicContact CG1-CB 4.23Å |
| 72 | M | 92.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.7 | 173.9 | -176.5 | -133.1 | -41.5 | 0 | 0 | 107.9 | R30 F31 I33 M41 L60 N61 I62 I74 | R30-M72 WeakPolarHBondContact CA-O 3.43Å; F31-M72 HydrophobicContact CB-CB 4.29Å; F31-M72 HydrophobicContact CB-CE 3.93Å; F31-M72 HydrophobicContact CD2-CE 4.24Å; F31-M72 HydrophobicContact CD2-SD 4.06Å; F31-M72 HydrophobicContact CG-CE 4.17Å; F31-M72 PolarHBondContact N-O 3.37Å; F31-M72 PolarHBondContact O-N 3.47Å; I33-M72 HydrophobicContact CD1-CB 3.89Å; I33-M72 HydrophobicContact CD1-CE 4.21Å; I33-M72 HydrophobicContact CG1-CB 4.25Å; I33-M72 HydrophobicContact CG2-CE 3.78Å; M41-M72 HydrophobicContact CE-CE 3.45Å; M41-M72 VanDerWaalsContact CE-CE 3.45Å; M41-M72 HydrophobicContact CE-CG 4.44Å; M41-M72 HydrophobicContact CE-SD 3.53Å; M41-M72 VanDerWaalsContact CE-SD 3.53Å; M41-M72 HydrophobicContact SD-CE 3.4Å; M41-M72 WeakPolarHBondContact SD-CE 3.36Å; M41-M72 HydrophobicContact SD-SD 4.22Å; L60-M72 HydrophobicContact CD2-CG 3.8Å; L60-M72 HydrophobicContact CD2-SD 4.42Å; N61-M72 CarbonylContact O-C 3.31Å; N61-M72 WeakPolarHBondContact O-CA 3.4Å; I62-M72 HydrophobicContact CD1-CB 4.48Å; I62-M72 HydrophobicContact CD1-CG 3.94Å; I62-M72 HydrophobicContact CG1-CB 4.03Å; I62-M72 HydrophobicContact CG1-CG 3.69Å; M72-I74 HydrophobicContact CG-CG1 4.43Å; M72-I74 HydrophobicContact SD-CD1 3.56Å; M72-I74 VanDerWaalsContact SD-CD1 3.56Å; M72-I74 HydrophobicContact SD-CG1 3.62Å |
| 73 | T | 93.5 | Very high | 88.8 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130 | 174.5 | -49.4 | 0 | 0 | 0 | 0 | 108.6 | I29 R30 L60 N61 E75 | I29-T73 CarbonylContact O-C 3.6Å; I29-T73 WeakPolarHBondContact O-CA 3.48Å; R30-T73 HydrophobicContact CG-CG2 4.08Å; L60-T73 CarbonylContact C-O 3.53Å; L60-T73 WeakPolarHBondContact CA-O 3.48Å; N61-T73 PolarHBondContact N-O 3.13Å; N61-T73 PolarHBondContact O-N 3.22Å; T73-E75 HydrophobicContact CG2-CG 4.29Å |
| 74 | I | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123 | 169.6 | -35.2 | -175.3 | 0 | 0 | 0 | 108.8 | I29 F31 V58 L60 M72 I81 I84 | I29-I74 PolarHBondContact N-O 2.65Å; I29-I74 PolarHBondContact O-N 3.42Å; F31-I74 HydrophobicContact CD2-CD1 4.06Å; F31-I74 HydrophobicContact CD2-CG1 4.02Å; F31-I74 HydrophobicContact CE2-CD1 3.62Å; F31-I74 HydrophobicContact CE2-CG1 3.85Å; V58-I74 HydrophobicContact CB-CG2 4.11Å; V58-I74 HydrophobicContact CG1-CG2 4.44Å; V58-I74 HydrophobicContact CG2-CG2 4.15Å; L60-I74 HydrophobicContact CG-CG1 4.24Å; L60-I74 HydrophobicContact CG-CG2 4.47Å; M72-I74 HydrophobicContact CG-CG1 4.43Å; M72-I74 HydrophobicContact SD-CD1 3.56Å; M72-I74 VanDerWaalsContact SD-CD1 3.56Å; M72-I74 HydrophobicContact SD-CG1 3.62Å; I74-I81 HydrophobicContact CB-CD1 4.26Å; I74-I81 HydrophobicContact CB-CG1 4.36Å; I74-I81 HydrophobicContact CD1-CG2 4.43Å; I74-I81 HydrophobicContact CG2-CD1 4.2Å; I74-I81 HydrophobicContact CG2-CG1 3.89Å; I74-I84 HydrophobicContact CD1-CG2 4.47Å; I74-I84 HydrophobicContact CG2-CD1 4.32Å |
| 75 | E | 91.7 | Very high | 89.1 | Confident | 59 Ų | 59 | 32.8 Ų | 32.8 | 28% | 0.276 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.2 | 175.1 | -66.4 | 162.1 | -125 | 0 | 0 | 110.2 | V27 V58 K59 T73 | V27-E75 CarbonylContact O-C 3.57Å; V27-E75 VanDerWaalsContact O-CA 3.27Å; V27-E75 WeakPolarHBondContact O-CA 3.23Å; V58-E75 WeakPolarHBondContact CA-O 2.9Å; V58-E75 WeakPolarHBondContact CB-O 3.39Å; K59-E75 HydrophobicContact CB-CB 4.03Å; K59-E75 WeakPolarHBondContact CD-OE2 3.28Å; K59-E75 HydrophobicContact CG-CB 4.39Å; K59-E75 PolarHBondContact N-O 3.37Å; K59-E75 IonicContact NZ-OE1 3.65Å; K59-E75 PolarHBondContact NZ-OE1 3.21Å; K59-E75 IonicContact NZ-OE2 2.65Å; K59-E75 PolarHBondContact NZ-OE2 2.76Å; K59-E75 PolarHBondContact O-N 3.05Å; T73-E75 HydrophobicContact CG2-CG 4.29Å |
| 76 | G | 89.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 38 Ų | 38 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -160.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | T25 V27 | T25-G76 CarbonylContact O-C 3.58Å; V27-G76 WeakPolarHBondContact CB-O 3.18Å; V27-G76 PolarHBondContact N-O 2.86Å; V27-G76 VanDerWaalsContact N-O 3.11Å; V27-G76 PolarHBondContact O-N 2.95Å |
| 77 | D | 90.8 | Very high | 90 | Very high | 72 Ų | 72 | 29.2 Ų | 29.2 | 39% | 0.385 | 15% | 0.152 | S | C | . | . | trans | -62.5 | 138.3 | -178.6 | -71.6 | -69 | 0 | 0 | 0 | 113 | T25 Q79 A80 I81 | T25-D77 WeakPolarHBondContact CA-OD1 3.4Å; T25-D77 PolarHBondContact O-N 3.11Å; D77-Q79 PolarHBondContact O-N 3.47Å; D77-Q79 VanDerWaalsContact O-N 3.13Å; D77-A80 HydrophobicContact CB-CB 3.95Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.29Å; D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 2.9Å | ||
| 78 | L | 88.6 | Confident | 90.3 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.7 | -37.4 | 173.7 | 179.3 | 60.3 | 0 | 0 | 0 | 113.1 | L24 C82 R196 I199 E200 | L24-L78 HydrophobicContact CB-CB 4.24Å; L24-L78 HydrophobicContact CB-CD2 4.34Å; L24-L78 HydrophobicContact CD1-CD2 3.92Å; L24-L78 HydrophobicContact CD2-CD2 4.29Å; L24-L78 HydrophobicContact CG-CD2 4.4Å; L24-L78 PolarHBondContact O-N 2.78Å; L78-C82 WeakPolarHBondContact O-CB 3.5Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.78Å; L78-R196 HydrophobicContact CD1-CG 4.05Å; L78-R196 HydrophobicContact CD2-CG 3.86Å; L78-R196 HydrophobicContact CG-CG 4.07Å; L78-I199 HydrophobicContact CD1-CB 4.02Å; L78-I199 HydrophobicContact CD1-CD1 3.72Å; L78-I199 HydrophobicContact CD1-CG1 4.5Å; L78-I199 HydrophobicContact CD1-CG2 3.75Å; L78-E200 HydrophobicContact CD2-CG 3.92Å |
| 79 | Q | 90 | Very high | 90.3 | Very high | 104 Ų | 104 | 27.5 Ų | 27.5 | 49% | 0.486 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -73.4 | -35.2 | 178.7 | -57.1 | -52.9 | -41.8 | 0 | 0 | 112.7 | D77 S83 | D77-Q79 PolarHBondContact O-N 3.47Å; D77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.89Å; Q79-S83 PolarHBondContact O-OG 2.84Å |
| 80 | A | 91.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 32 Ų | 32 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V58 D77 C82 S83 I84 | V58-A80 HydrophobicContact CG1-CB 3.74Å; D77-A80 HydrophobicContact CB-CB 3.95Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.29Å; A80-C82 PolarHBondContact O-N 3.07Å; A80-S83 PolarHBondContact O-N 2.68Å; A80-S83 VanDerWaalsContact O-N 3.11Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 2.86Å |
| 81 | I | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 177.4 | -62.3 | 179.7 | 0 | 0 | 0 | 111.1 | V27 I29 F31 I74 D77 S83 I84 M85 | V27-I81 HydrophobicContact CB-CD1 4.5Å; V27-I81 HydrophobicContact CG1-CD1 4.4Å; I29-I81 HydrophobicContact CD1-CD1 3.79Å; I29-I81 HydrophobicContact CD1-CG2 4.04Å; F31-I81 HydrophobicContact CZ-CG2 4.42Å; I74-I81 HydrophobicContact CB-CD1 4.26Å; I74-I81 HydrophobicContact CB-CG1 4.36Å; I74-I81 HydrophobicContact CD1-CG2 4.43Å; I74-I81 HydrophobicContact CG2-CD1 4.2Å; I74-I81 HydrophobicContact CG2-CG1 3.89Å; D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 2.9Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.9Å; I81-I84 PolarHBondContact O-N 2.93Å; I81-M85 WeakPolarHBondContact O-CG 3.18Å; I81-M85 PolarHBondContact O-N 2.8Å; I81-M85 VanDerWaalsContact O-N 3.09Å |
| 82 | C | 90.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -36.5 | 175.4 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | L78 A80 R86 V192 | L78-C82 WeakPolarHBondContact O-CB 3.5Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.78Å; A80-C82 PolarHBondContact O-N 3.07Å; C82-R86 PolarHBondContact O-N 2.81Å; C82-V192 HydrophobicContact CB-CG1 3.94Å; C82-V192 WeakPolarHBondContact O-CG1 3.49Å |
| 83 | S | 91.4 | Very high | 88.6 | Confident | 37 Ų | 37 | 37 Ų | 37 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.7 | -42.8 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | Q79 A80 I81 M85 R86 D87 | Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.89Å; Q79-S83 PolarHBondContact O-OG 2.84Å; A80-S83 PolarHBondContact O-N 2.68Å; A80-S83 VanDerWaalsContact O-N 3.11Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.9Å; S83-M85 PolarHBondContact O-N 3.42Å; S83-R86 WeakPolarHBondContact O-CB 3.29Å; S83-R86 PolarHBondContact O-N 2.83Å; S83-R86 VanDerWaalsContact O-N 3.16Å; S83-D87 PolarHBondContact O-N 2.94Å; S83-D87 VanDerWaalsContact O-N 3.09Å |
| 84 | I | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 173.6 | -67.4 | 162.5 | 0 | 0 | 0 | 110.6 | I52 Y56 V58 I74 A80 I81 R86 D87 V88 | I52-I84 HydrophobicContact CG2-CD1 4.02Å; I52-I84 HydrophobicContact CG2-CG1 3.96Å; I52-I84 HydrophobicContact CG2-CG2 3.95Å; Y56-I84 HydrophobicContact CD1-CG1 4.15Å; Y56-I84 HydrophobicContact CD2-CD1 4.1Å; Y56-I84 HydrophobicContact CD2-CG1 3.36Å; Y56-I84 HydrophobicContact CE1-CG1 4.49Å; Y56-I84 HydrophobicContact CE2-CG1 3.74Å; Y56-I84 HydrophobicContact CG-CD1 4.05Å; Y56-I84 HydrophobicContact CG-CG1 3.57Å; V58-I84 HydrophobicContact CB-CD1 4.2Å; V58-I84 HydrophobicContact CG1-CD1 3.79Å; V58-I84 HydrophobicContact CG2-CD1 3.45Å; V58-I84 VanDerWaalsContact CG2-CD1 3.45Å; I74-I84 HydrophobicContact CD1-CG2 4.47Å; I74-I84 HydrophobicContact CG2-CD1 4.32Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 2.86Å; I81-I84 PolarHBondContact O-N 2.93Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.33Å; I84-D87 PolarHBondContact O-N 3.34Å; I84-V88 HydrophobicContact CG2-CG2 4.07Å; I84-V88 VanDerWaalsContact O-CB 3.29Å; I84-V88 WeakPolarHBondContact O-CB 3.45Å; I84-V88 WeakPolarHBondContact O-CG2 3.21Å; I84-V88 PolarHBondContact O-N 3.41Å |
| 85 | M | 89.4 | Confident | 87 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | -178.8 | -63.8 | -65.6 | -80.7 | 0 | 0 | 111.4 | F31 I81 S83 V88 C89 F135 V192 L195 | F31-M85 HydrophobicContact CD1-CE 3.81Å; F31-M85 HydrophobicContact CE1-CE 3.29Å; F31-M85 HydrophobicContact CE1-SD 4.11Å; F31-M85 HydrophobicContact CE2-SD 4.43Å; F31-M85 HydrophobicContact CZ-CE 3.75Å; F31-M85 HydrophobicContact CZ-SD 3.99Å; I81-M85 WeakPolarHBondContact O-CG 3.18Å; I81-M85 PolarHBondContact O-N 2.8Å; I81-M85 VanDerWaalsContact O-N 3.09Å; S83-M85 PolarHBondContact O-N 3.42Å; M85-V88 PolarHBondContact O-N 2.94Å; M85-C89 WeakPolarHBondContact O-CB 3.5Å; M85-C89 PolarHBondContact O-N 3.28Å; M85-C89 PolarHBondContact O-SG 3.34Å; M85-F135 HydrophobicContact CE-CD1 3.32Å; M85-F135 HydrophobicContact CE-CE1 3.13Å; M85-F135 HydrophobicContact CE-CE2 4.45Å; M85-F135 HydrophobicContact CE-CG 4.06Å; M85-F135 HydrophobicContact CE-CZ 3.75Å; M85-F135 HydrophobicContact SD-CE1 4.2Å; M85-V192 HydrophobicContact CB-CG2 3.88Å; M85-L195 HydrophobicContact CB-CD2 4.43Å; M85-L195 HydrophobicContact CE-CD2 3.77Å; M85-L195 HydrophobicContact CG-CD2 3.87Å |
| 86 | R | 89.3 | Confident | 86.2 | Confident | 127 Ų | 127 | 40.4 Ų | 40.4 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 170.9 | -67.5 | 179.1 | -175.6 | 142.5 | 1.1 | 112.8 | C82 S83 I84 V88 P90 V192 | C82-R86 PolarHBondContact O-N 2.81Å; S83-R86 WeakPolarHBondContact O-CB 3.29Å; S83-R86 PolarHBondContact O-N 2.83Å; S83-R86 VanDerWaalsContact O-N 3.16Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.33Å; R86-V88 PolarHBondContact O-N 2.9Å; R86-P90 WeakPolarHBondContact O-CD 3.18Å; R86-V192 HydrophobicContact CG-CB 4.47Å; R86-V192 HydrophobicContact CG-CG1 4.16Å; R86-V192 HydrophobicContact CG-CG2 4.03Å |
| 87 | D | 88.5 | Confident | 85.5 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.3 | -23.8 | 177.5 | -95.9 | 53.6 | 0 | 0 | 0 | 113.5 | Y56 S83 I84 | Y56-D87 PolarHBondContact OH-OD1 3.11Å; Y56-D87 VanDerWaalsContact OH-OD1 3.06Å; Y56-D87 PolarHBondContact OH-OD2 3.05Å; S83-D87 PolarHBondContact O-N 2.94Å; S83-D87 VanDerWaalsContact O-N 3.09Å; I84-D87 PolarHBondContact O-N 3.34Å |
| 88 | V | 85.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -94.8 | -32.5 | -177.8 | 168.7 | 0 | 0 | 0 | 0 | 112 | M41 I52 I84 M85 R86 K91 L92 | M41-V88 HydrophobicContact CE-CG1 3.89Å; M41-V88 HydrophobicContact CE-CG2 3.89Å; M41-V88 HydrophobicContact CG-CG1 4.16Å; M41-V88 HydrophobicContact SD-CG1 3.86Å; I52-V88 HydrophobicContact CD1-CG2 4.15Å; I84-V88 HydrophobicContact CG2-CG2 4.07Å; I84-V88 VanDerWaalsContact O-CB 3.29Å; I84-V88 WeakPolarHBondContact O-CB 3.45Å; I84-V88 WeakPolarHBondContact O-CG2 3.21Å; I84-V88 PolarHBondContact O-N 3.41Å; M85-V88 PolarHBondContact O-N 2.94Å; R86-V88 PolarHBondContact O-N 2.9Å; V88-K91 WeakPolarHBondContact O-CB 3.5Å; V88-K91 PolarHBondContact O-N 3.43Å; V88-L92 HydrophobicContact CG1-CD1 3.35Å; V88-L92 HydrophobicContact CG1-CG 3.73Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.1Å |
| 89 | C | 85.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -47.6 | -55.5 | 178.6 | -86.8 | 0 | 0 | 0 | 0 | 113.4 | M85 K91 L92 K93 I133 F135 P188 | M85-C89 WeakPolarHBondContact O-CB 3.5Å; M85-C89 PolarHBondContact O-N 3.28Å; M85-C89 PolarHBondContact O-SG 3.34Å; C89-K91 VanDerWaalsContact C-N 3.27Å; C89-K91 PolarHBondContact O-N 3.09Å; C89-L92 PolarHBondContact O-N 3.09Å; C89-K93 PolarHBondContact O-N 3.43Å; C89-K93 VanDerWaalsContact O-N 3.09Å; C89-I133 HydrophobicContact CB-CD1 3.68Å; C89-I133 WeakPolarHBondContact O-CD1 3.37Å; C89-F135 WeakPolarHBondContact SG-CE2 3Å; C89-P188 HydrophobicContact CB-CB 3.73Å |
| 90 | P | 83.6 | Confident | 81.3 | Confident | 96 Ų | 96 | 38.8 Ų | 38.8 | 62% | 0.623 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60 | -33.8 | 178 | -24.7 | 34.1 | 0 | 0 | 0 | 113.8 | R86 L92 | R86-P90 WeakPolarHBondContact O-CD 3.18Å; P90-L92 VanDerWaalsContact C-N 3.34Å |
| 91 | K | 83.7 | Confident | 79.7 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -76 | -20.7 | -178.1 | -60.9 | 176.2 | -177 | 169 | 0 | 113.3 | I40 N48 V88 C89 | I40-K91 HydrophobicContact CG2-CB 4.05Å; N48-K91 PolarHBondContact OD1-NZ 2.87Å; V88-K91 WeakPolarHBondContact O-CB 3.5Å; V88-K91 PolarHBondContact O-N 3.43Å; C89-K91 VanDerWaalsContact C-N 3.27Å; C89-K91 PolarHBondContact O-N 3.09Å |
| 92 | L | 82.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -111.1 | -3.7 | -177.1 | -62.9 | -171.3 | 0 | 0 | 0 | 114.1 | A37 I40 M41 V88 C89 P90 D94 I95 M96 | A37-L92 HydrophobicContact CB-CD1 3.97Å; A37-L92 HydrophobicContact CB-CD2 3.62Å; A37-L92 HydrophobicContact CB-CG 4.39Å; I40-L92 HydrophobicContact CB-CD2 4.05Å; I40-L92 HydrophobicContact CG2-CD2 4.09Å; M41-L92 HydrophobicContact CG-CD1 4.12Å; M41-L92 HydrophobicContact CG-CD2 4.36Å; M41-L92 HydrophobicContact SD-CD1 3.86Å; V88-L92 HydrophobicContact CG1-CD1 3.35Å; V88-L92 HydrophobicContact CG1-CG 3.73Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.1Å; C89-L92 PolarHBondContact O-N 3.09Å; P90-L92 VanDerWaalsContact C-N 3.34Å; L92-D94 PolarHBondContact O-N 3.31Å; L92-D94 VanDerWaalsContact O-N 3.14Å; L92-I95 PolarHBondContact O-N 3.34Å; L92-M96 HydrophobicContact CB-CE 3.84Å; L92-M96 HydrophobicContact CB-CG 4.35Å; L92-M96 HydrophobicContact CB-SD 4.43Å; L92-M96 HydrophobicContact CD1-CE 3.56Å; L92-M96 HydrophobicContact CD1-SD 3.85Å; L92-M96 HydrophobicContact CG-CE 4.38Å; L92-M96 PolarHBondContact O-N 2.91Å |
| 93 | K | 79.3 | Confident | 76.6 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -42.9 | 180 | -163.9 | -165.5 | -173.6 | -158.7 | 0 | 112.8 | C89 I95 N97 E130 N131 | C89-K93 PolarHBondContact O-N 3.43Å; C89-K93 VanDerWaalsContact O-N 3.09Å; K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.84Å; K93-N97 VanDerWaalsContact O-CB 3.3Å; K93-N97 WeakPolarHBondContact O-CB 3.47Å; K93-N97 PolarHBondContact O-N 3.05Å; K93-N97 PolarHBondContact O-ND2 3.16Å; K93-E130 WeakPolarHBondContact CE-O 3.43Å; K93-N131 WeakPolarHBondContact CE-OD1 3.15Å; K93-N131 PolarHBondContact NZ-OD1 3.41Å |
| 94 | D | 75.1 | Confident | 74.9 | Confident | 132 Ų | 132 | 47.3 Ų | 47.3 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -19.1 | -176.9 | -51.3 | -24.7 | 0 | 0 | 0 | 113.8 | L92 | L92-D94 PolarHBondContact O-N 3.31Å; L92-D94 VanDerWaalsContact O-N 3.14Å |
| 95 | I | 77.7 | Confident | 73.3 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -40.4 | -174.8 | -61.2 | 179.9 | 0 | 0 | 0 | 111.3 | P34 R36 A37 I40 L92 K93 | P34-I95 HydrophobicContact CB-CG2 4.47Å; P34-I95 HydrophobicContact CG-CG2 3.66Å; R36-I95 HydrophobicContact CB-CD1 4.01Å; R36-I95 HydrophobicContact CB-CG2 3.99Å; A37-I95 HydrophobicContact CB-CG2 4.07Å; I40-I95 HydrophobicContact CD1-CD1 3.49Å; I40-I95 VanDerWaalsContact CD1-CD1 3.49Å; I40-I95 HydrophobicContact CG1-CD1 4.14Å; L92-I95 PolarHBondContact O-N 3.34Å; K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.84Å |
| 96 | M | 75.4 | Confident | 71.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -105.7 | 23.5 | -176.3 | -53.3 | -167.8 | -39.1 | 0 | 0 | 111.9 | I33 P34 A37 L92 I133 D134 F135 W230 | I33-M96 HydrophobicContact CG2-SD 4.25Å; P34-M96 HydrophobicContact CG-CG 3.99Å; P34-M96 HydrophobicContact CG-SD 4.44Å; A37-M96 HydrophobicContact CB-CG 4.32Å; A37-M96 HydrophobicContact CB-SD 4.09Å; L92-M96 HydrophobicContact CB-CE 3.84Å; L92-M96 HydrophobicContact CB-CG 4.35Å; L92-M96 HydrophobicContact CB-SD 4.43Å; L92-M96 HydrophobicContact CD1-CE 3.56Å; L92-M96 HydrophobicContact CD1-SD 3.85Å; L92-M96 HydrophobicContact CG-CE 4.38Å; L92-M96 PolarHBondContact O-N 2.91Å; M96-I133 HydrophobicContact CB-CG2 3.96Å; M96-I133 HydrophobicContact CE-CG2 3.8Å; M96-D134 PolarHBondContact O-N 3.17Å; M96-F135 HydrophobicContact CE-CD1 3.77Å; M96-F135 HydrophobicContact CE-CE1 3.35Å; M96-F135 HydrophobicContact CE-CE2 4.33Å; M96-F135 HydrophobicContact CE-CG 4.43Å; M96-F135 HydrophobicContact CE-CZ 3.69Å; M96-W230 HydrophobicContact CB-CH2 4.19Å; M96-W230 HydrophobicContact CG-CH2 4.32Å |
| 97 | N | 74.3 | Confident | 69.7 | Low | 18 Ų | 18 | 49.3 Ų | 49.3 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -58.6 | 140.6 | 177.1 | -159.2 | -76.6 | 0 | 0 | 0 | 111.6 | K93 K99 L100 D129 E130 | K93-N97 VanDerWaalsContact O-CB 3.3Å; K93-N97 WeakPolarHBondContact O-CB 3.47Å; K93-N97 PolarHBondContact O-N 3.05Å; K93-N97 PolarHBondContact O-ND2 3.16Å; N97-K99 PolarHBondContact O-N 3.37Å; N97-K99 VanDerWaalsContact O-N 3.11Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.02Å; N97-L100 HydrophobicContact CB-CD1 4.18Å; N97-L100 PolarHBondContact O-N 3.22Å; N97-D129 PolarHBondContact OD1-O 3.03Å; N97-E130 PolarHBondContact ND2-O 3.17Å |
| 98 | A | 62.9 | Low | 67.9 | Low | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -52.5 | -31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L100 S101 D102 M132 V185 | A98-L100 VanDerWaalsContact C-N 3.26Å; A98-L100 PolarHBondContact O-N 3.3Å; A98-S101 PolarHBondContact O-N 2.75Å; A98-S101 PolarHBondContact O-OG 2.87Å; A98-D102 PolarHBondContact O-N 3Å; A98-M132 HydrophobicContact CB-CB 3.95Å; A98-M132 PolarHBondContact N-O 3.12Å; A98-V185 HydrophobicContact CB-CG1 3.52Å |
| 99 | K | 60 | Low | 66.3 | Low | 58 Ų | 58 | 53.3 Ų | 53.3 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -66.1 | -23 | 177.5 | -64.2 | -168.7 | -179.6 | -174.4 | 0 | 113.5 | N97 D126 E130 | N97-K99 PolarHBondContact O-N 3.37Å; N97-K99 VanDerWaalsContact O-N 3.11Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.02Å; K99-D126 WeakPolarHBondContact CE-O 3.25Å; K99-D126 PolarHBondContact NZ-O 3.27Å; K99-D126 IonicContact NZ-OD1 2.8Å; K99-E130 HydrophobicContact CD-CG 3.94Å; K99-E130 IonicContact NZ-OE1 2.71Å; K99-E130 PolarHBondContact NZ-OE1 2.91Å |
| 100 | L | 58.2 | Low | 64.7 | Low | 78 Ų | 78 | 60.5 Ų | 60.5 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -95.1 | -4.2 | 179.3 | -86 | 81.4 | 0 | 0 | 0 | 114.1 | N97 A98 I106 | N97-L100 HydrophobicContact CB-CD1 4.18Å; N97-L100 PolarHBondContact O-N 3.22Å; A98-L100 VanDerWaalsContact C-N 3.26Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-I106 WeakPolarHBondContact O-CD1 3.38Å |
| 101 | S | 59.1 | Low | 63 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | -20.3 | -159.9 | 72.7 | 0 | 0 | 0 | 0 | 116.1 | A98 P103 D134 R136 | A98-S101 PolarHBondContact O-N 2.75Å; A98-S101 PolarHBondContact O-OG 2.87Å; S101-P103 WeakPolarHBondContact O-CD 3.42Å; S101-D134 WeakPolarHBondContact CB-OD2 3.36Å; S101-D134 WeakPolarHBondContact OG-CB 3.48Å; S101-D134 PolarHBondContact OG-OD2 3.2Å; S101-R136 PolarHBondContact O-NH2 2.87Å; S101-R136 VanDerWaalsContact O-NH2 3.13Å |
| 102 | D | 60.7 | Low | 61.1 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | trans | -86.4 | 113.1 | 168 | -178.5 | -4 | 0 | 0 | 0 | 110.5 | A98 K104 R105 I106 | A98-D102 PolarHBondContact O-N 3Å; D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.07Å; D102-K104 WeakPolarHBondContact OD1-CB 3.33Å; D102-K104 PolarHBondContact OD1-N 2.79Å; D102-R105 HydrophobicContact CB-CG 4.06Å; D102-R105 PolarHBondContact O-N 2.86Å; D102-I106 WeakPolarHBondContact O-CG1 3Å; D102-I106 PolarHBondContact O-N 2.74Å; D102-I106 VanDerWaalsContact O-N 3.13Å | ||
| 103 | P | 54.5 | Low | 59.5 | Low | 26 Ų | 26 | 71.9 Ų | 71.9 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.9 | -26.9 | 179.7 | 22.9 | -33.7 | 0 | 0 | 0 | 113.7 | S101 R105 I106 M107 L225 | S101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-R105 PolarHBondContact O-N 3.14Å; P103-I106 PolarHBondContact O-N 3.13Å; P103-M107 HydrophobicContact CB-CE 4.26Å; P103-M107 VanDerWaalsContact O-CB 3.31Å; P103-M107 WeakPolarHBondContact O-CB 3.36Å; P103-M107 WeakPolarHBondContact O-CG 3.48Å; P103-M107 PolarHBondContact O-N 3.41Å; P103-L225 HydrophobicContact CB-CD1 3.8Å; P103-L225 HydrophobicContact CB-CD2 3.8Å; P103-L225 HydrophobicContact CB-CG 4.42Å; P103-L225 HydrophobicContact CG-CD1 4.45Å; P103-L225 HydrophobicContact CG-CD2 4.02Å |
| 104 | K | 57.4 | Low | 58 | Low | 155 Ų | 155 | 80.1 Ų | 80.1 | 67% | 0.674 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66 | -25.5 | 177.3 | -63.7 | -178.5 | 176.2 | -177.2 | 0 | 113.1 | D102 | D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.07Å; D102-K104 WeakPolarHBondContact OD1-CB 3.33Å; D102-K104 PolarHBondContact OD1-N 2.79Å |
| 105 | R | 56.8 | Low | 56.5 | Low | 63 Ų | 63 | 84.6 Ų | 84.6 | 24% | 0.238 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -89.6 | -40.6 | 176 | -53.1 | -174.8 | 90.5 | 149 | 7.7 | 110.9 | D102 P103 G108 D126 D129 | D102-R105 HydrophobicContact CB-CG 4.06Å; D102-R105 PolarHBondContact O-N 2.86Å; P103-R105 PolarHBondContact O-N 3.14Å; R105-G108 PolarHBondContact O-N 2.61Å; R105-D126 IonicContact NH2-OD1 2.79Å; R105-D129 IonicContact CZ-OD1 3.07Å; R105-D129 IonicContact CZ-OD2 3.32Å; R105-D129 VanDerWaalsContact CZ-OD2 3.29Å; R105-D129 IonicContact NH1-OD1 3.29Å; R105-D129 PolarHBondContact NH1-OD1 3.47Å; R105-D129 IonicContact NH1-OD2 2.68Å; R105-D129 PolarHBondContact NH1-OD2 3.16Å; R105-D129 VanDerWaalsContact NH2-CG 3.25Å; R105-D129 IonicContact NH2-OD1 3.27Å; R105-D129 IonicContact NH2-OD2 2.87Å; R105-D129 PolarHBondContact NH2-OD2 3.41Å |
| 106 | I | 54.8 | Low | 55 | Low | 23 Ų | 23 | 89.5 Ų | 89.5 | 12% | 0.118 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.8 | -51.3 | 175.2 | -59.2 | 171 | 0 | 0 | 0 | 110.1 | L100 D102 P103 G108 A236 L239 A240 | L100-I106 WeakPolarHBondContact O-CD1 3.38Å; D102-I106 WeakPolarHBondContact O-CG1 3Å; D102-I106 PolarHBondContact O-N 2.74Å; D102-I106 VanDerWaalsContact O-N 3.13Å; P103-I106 PolarHBondContact O-N 3.13Å; I106-G108 PolarHBondContact O-N 2.8Å; I106-A236 WeakPolarHBondContact CG2-O 3.33Å; I106-L239 HydrophobicContact CG2-CB 3.71Å; I106-A240 HydrophobicContact CG2-CB 4.12Å; I106-A240 WeakPolarHBondContact O-CA 3.44Å |
| 107 | M | 49 | Very low | 53.6 | Low | 83 Ų | 83 | 100.2 Ų | 100.2 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 17.7 | -175.2 | -69.4 | 170.8 | 175.5 | 0 | 0 | 115.6 | P103 T109 L225 L239 | P103-M107 HydrophobicContact CB-CE 4.26Å; P103-M107 VanDerWaalsContact O-CB 3.31Å; P103-M107 WeakPolarHBondContact O-CB 3.36Å; P103-M107 WeakPolarHBondContact O-CG 3.48Å; P103-M107 PolarHBondContact O-N 3.41Å; M107-T109 PolarHBondContact O-N 3.47Å; M107-T109 PolarHBondContact O-OG1 3.3Å; M107-L225 HydrophobicContact CE-CD1 3.88Å; M107-L239 HydrophobicContact CE-CD2 3.81Å; M107-L239 HydrophobicContact CG-CD2 4.44Å |
| 108 | G | 50.4 | Low | 52.6 | Low | 55 Ų | 55 | 111.7 Ų | 111.7 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 62.2 | 9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R105 I106 Q110 | R105-G108 PolarHBondContact O-N 2.61Å; I106-G108 PolarHBondContact O-N 2.8Å; G108-Q110 PolarHBondContact O-N 2.82Å |
| 109 | T | 52 | Low | 51.8 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 63% | 0.632 | 56% | 0.561 | S | S | * | * | trans | -80.1 | 38.5 | -179.9 | -41.4 | 0 | 0 | 0 | 0 | 111 | M107 | M107-T109 PolarHBondContact O-N 3.47Å; M107-T109 PolarHBondContact O-OG1 3.3Å | ||
| 110 | Q | 51.6 | Low | 51.2 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 72% | 0.715 | 59% | 0.589 | S | S | * | * | trans | -53.4 | 141.7 | 158.6 | -78.8 | -162.8 | -40 | 0 | 0 | 108.7 | G108 S112 | G108-Q110 PolarHBondContact O-N 2.82Å; Q110-S112 PolarHBondContact O-N 2.86Å | ||
| 111 | G | 46.8 | Very low | 50.8 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | trans | -51.5 | 122.2 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114 | R113 | G111-R113 WeakPolarHBondContact O-CA 3.44Å; G111-R113 PolarHBondContact O-N 2.88Å | ||
| 112 | S | 45.3 | Very low | 50.5 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | trans | -40.4 | 116.1 | 167.1 | 165 | 0 | 0 | 0 | 0 | 109.3 | Q110 R114 | Q110-S112 PolarHBondContact O-N 2.86Å; S112-R114 PolarHBondContact O-N 3.08Å | ||
| 113 | R | 47.4 | Very low | 50.1 | Low | 246 Ų | 246 | 130.8 Ų | 130.8 | 93% | 0.928 | 64% | 0.641 | S | S | * | * | trans | -53.1 | 69.4 | -152.1 | -58.2 | 175.9 | -172.3 | 145.2 | 1 | 115.5 | G111 R115 | G111-R113 WeakPolarHBondContact O-CA 3.44Å; G111-R113 PolarHBondContact O-N 2.88Å; R113-R115 PolarHBondContact O-N 2.86Å | ||
| 114 | R | 48.6 | Very low | 50 | Low | 239 Ų | 239 | 137 Ų | 137 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -67.4 | 102.3 | 168.6 | -75.9 | -179.5 | 176.9 | -175.2 | -0.4 | 106.1 | S112 | S112-R114 PolarHBondContact O-N 3.08Š| ||
| 115 | R | 44.1 | Very low | 49.8 | Very low | 225 Ų | 225 | 135 Ų | 135 | 85% | 0.849 | 66% | 0.657 | S | S | * | * | trans | -36.8 | 127.2 | -179.9 | -57.4 | 171.6 | 76 | -177.4 | 6.4 | 109.1 | R113 R117 | R113-R115 PolarHBondContact O-N 2.86Å; R115-R117 PolarHBondContact O-N 3.21Å; R115-R117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | P | 46.7 | Very low | 49.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -52 | 124.3 | -174.5 | 20 | -32.2 | 0 | 0 | 0 | 109.1 | R118 | P116-R118 PolarHBondContact O-N 2.84Š| ||
| 117 | R | 46.1 | Very low | 50.1 | Low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | trans | -65 | 136.6 | 171.6 | -80.8 | -176.6 | 166.7 | 176 | -5.3 | 106.7 | R115 S119 | R115-R117 PolarHBondContact O-N 3.21Å; R115-R117 VanDerWaalsContact O-N 3.11Å; R117-S119 PolarHBondContact O-N 3.1Å | ||
| 118 | R | 52.1 | Low | 50.7 | Low | 259 Ų | 259 | 142.1 Ų | 142.1 | 98% | 0.977 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82.5 | 57.4 | -163.6 | -167.5 | -173.8 | 175.5 | -143 | 0.3 | 111.2 | P116 | P116-R118 PolarHBondContact O-N 2.84Š|
| 119 | S | 46 | Very low | 51.4 | Low | 79 Ų | 79 | 139.6 Ų | 139.6 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -172.7 | 133.2 | -177.5 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | R117 | R117-S119 PolarHBondContact O-N 3.1Š|
| 120 | E | 47.4 | Very low | 52.1 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 76.3 | 138.8 | 175.3 | -56.5 | 166.3 | 130.6 | 0 | 0 | 114.9 | ||
| 121 | D | 49.4 | Very low | 53.3 | Low | 82 Ų | 82 | 135.7 Ų | 135.7 | 44% | 0.439 | 64% | 0.644 | S | S | . | * | trans | -84.1 | 119.8 | -161.8 | -56.6 | -44.7 | 0 | 0 | 0 | 112.1 | E123 R124 | D121-E123 PolarHBondContact O-N 2.98Å; D121-R124 HydrophobicContact CB-CG 4.1Å; D121-R124 PolarHBondContact O-N 2.96Å; D121-R124 IonicContact OD2-CZ 2.94Å; D121-R124 IonicContact OD2-NE 2.77Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; D121-R124 IonicContact OD2-NH2 3.41Å; D121-R124 PolarHBondContact OD2-NH2 2.87Å | ||
| 122 | P | 54.4 | Low | 55.1 | Low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.1 | -16 | -179.8 | 29.9 | -35.9 | 0 | 0 | 0 | 113.6 | R124 | P122-R124 VanDerWaalsContact C-N 3.34Å |
| 123 | E | 51.6 | Low | 57.1 | Low | 155 Ų | 155 | 127.9 Ų | 127.9 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.4 | -28.9 | -178.7 | -63 | 176.4 | 161.5 | 0 | 0 | 111.9 | D121 E127 | D121-E123 PolarHBondContact O-N 2.98Å; E123-E127 PolarHBondContact O-N 2.84Å |
| 124 | R | 51.6 | Low | 59 | Low | 157 Ų | 157 | 116.1 Ų | 116.1 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -43.1 | -178.9 | -61.3 | 176.8 | -166.5 | -104.7 | -0.8 | 112.8 | D121 P122 D126 E127 E128 | D121-R124 HydrophobicContact CB-CG 4.1Å; D121-R124 PolarHBondContact O-N 2.96Å; D121-R124 IonicContact OD2-CZ 2.94Å; D121-R124 IonicContact OD2-NE 2.77Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; D121-R124 IonicContact OD2-NH2 3.41Å; D121-R124 PolarHBondContact OD2-NH2 2.87Å; P122-R124 VanDerWaalsContact C-N 3.34Å; R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 2.99Å; R124-E127 PolarHBondContact O-N 3.02Å; R124-E127 VanDerWaalsContact O-N 3.16Å; R124-E128 PolarHBondContact O-N 3.11Å |
| 125 | D | 54.7 | Low | 61 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.7 | -39 | 179.4 | -79.8 | -5.7 | 0 | 0 | 0 | 111.4 | D129 | D125-D129 PolarHBondContact O-N 2.81Å |
| 126 | D | 56.8 | Low | 63.2 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78.9 | -23.3 | 179.2 | -95.5 | -46.3 | 0 | 0 | 0 | 113.3 | K99 R105 R124 | K99-D126 WeakPolarHBondContact CE-O 3.25Å; K99-D126 PolarHBondContact NZ-O 3.27Å; K99-D126 IonicContact NZ-OD1 2.8Å; R105-D126 IonicContact NH2-OD1 2.79Å; R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 2.99Å |
| 127 | E | 59.8 | Low | 65.5 | Low | 133 Ų | 133 | 89.1 Ų | 89.1 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75 | -46.1 | 171.9 | -79.2 | -172.9 | 173.6 | 0 | 0 | 112.7 | E123 R124 D129 E130 N131 | E123-E127 PolarHBondContact O-N 2.84Å; R124-E127 PolarHBondContact O-N 3.02Å; R124-E127 VanDerWaalsContact O-N 3.16Å; E127-D129 PolarHBondContact O-N 3.31Å; E127-E130 PolarHBondContact O-N 3.13Å; E127-N131 PolarHBondContact O-ND2 2.78Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å |
| 128 | E | 61.8 | Low | 67.7 | Low | 119 Ų | 119 | 78.8 Ų | 78.8 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54.8 | -39.3 | 175.9 | -72.9 | -169.9 | -175.7 | 0 | 0 | 110.5 | R124 E130 N131 M132 | R124-E128 PolarHBondContact O-N 3.11Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.38Å; E128-N131 PolarHBondContact O-N 2.75Å; E128-N131 VanDerWaalsContact O-N 3.11Å; E128-M132 HydrophobicContact CB-CE 4.21Å |
| 129 | D | 65.1 | Low | 69.6 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.011 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.8 | 178.5 | -90.6 | -56.8 | 0 | 0 | 0 | 115.9 | N97 R105 D125 E127 N131 R165 | N97-D129 PolarHBondContact OD1-O 3.03Å; R105-D129 IonicContact CZ-OD1 3.07Å; R105-D129 IonicContact CZ-OD2 3.32Å; R105-D129 VanDerWaalsContact CZ-OD2 3.29Å; R105-D129 IonicContact NH1-OD1 3.29Å; R105-D129 PolarHBondContact NH1-OD1 3.47Å; R105-D129 IonicContact NH1-OD2 2.68Å; R105-D129 PolarHBondContact NH1-OD2 3.16Å; R105-D129 VanDerWaalsContact NH2-CG 3.25Å; R105-D129 IonicContact NH2-OD1 3.27Å; R105-D129 IonicContact NH2-OD2 2.87Å; R105-D129 PolarHBondContact NH2-OD2 3.41Å; D125-D129 PolarHBondContact O-N 2.81Å; E127-D129 PolarHBondContact O-N 3.31Å; D129-N131 VanDerWaalsContact C-N 3.26Å; D129-R165 WeakPolarHBondContact OD1-CD 3.26Å; D129-R165 IonicContact OD1-CZ 3.9Å; D129-R165 IonicContact OD1-NE 2.75Å; D129-R165 PolarHBondContact OD1-NE 2.89Å; D129-R165 VanDerWaalsContact OD1-NE 3.13Å; D129-R165 IonicContact OD1-NH1 2.78Å; D129-R165 PolarHBondContact OD1-NH1 3.24Å; D129-R165 IonicContact OD1-NH2 3.21Å; D129-R165 PolarHBondContact OD1-NH2 3.08Å; D129-R165 IonicContact OD2-CZ 3.77Å; D129-R165 IonicContact OD2-NE 3.77Å; D129-R165 IonicContact OD2-NH1 3.68Å; D129-R165 PolarHBondContact OD2-NH1 3.16Å; D129-R165 IonicContact OD2-NH2 3.3Å; D129-R165 PolarHBondContact OD2-NH2 3.03Å |
| 130 | E | 67.7 | Low | 71.8 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.4 | 172.3 | -64.3 | -167.1 | 175.3 | 0 | 0 | 112.4 | K93 N97 K99 E127 E128 | K93-E130 WeakPolarHBondContact CE-O 3.43Å; N97-E130 PolarHBondContact ND2-O 3.17Å; K99-E130 HydrophobicContact CD-CG 3.94Å; K99-E130 IonicContact NZ-OE1 2.71Å; K99-E130 PolarHBondContact NZ-OE1 2.91Å; E127-E130 PolarHBondContact O-N 3.13Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.38Å |
| 131 | N | 76.8 | Confident | 73.8 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -90.2 | -11.3 | -179.6 | -64.1 | -51.4 | 0 | 0 | 0 | 113.7 | K93 E127 E128 D129 | K93-N131 WeakPolarHBondContact CE-OD1 3.15Å; K93-N131 PolarHBondContact NZ-OD1 3.41Å; E127-N131 PolarHBondContact O-ND2 2.78Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å; E128-N131 PolarHBondContact O-N 2.75Å; E128-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 VanDerWaalsContact C-N 3.26Å |
| 132 | M | 83.5 | Confident | 75.8 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | trans | -88.5 | 138.8 | -175.8 | -57.2 | -168 | -162.1 | 0 | 0 | 113.6 | A98 E128 R165 V185 A186 | A98-M132 HydrophobicContact CB-CB 3.95Å; A98-M132 PolarHBondContact N-O 3.12Å; E128-M132 HydrophobicContact CB-CE 4.21Å; M132-R165 HydrophobicContact SD-CB 3.64Å; M132-R165 VanDerWaalsContact SD-CD 3.52Å; M132-R165 HydrophobicContact SD-CG 4.11Å; M132-V185 HydrophobicContact CB-CG1 4.17Å; M132-A186 CarbonylContact C-O 3.51Å; M132-A186 VanDerWaalsContact CA-O 3.28Å; M132-A186 WeakPolarHBondContact CA-O 3.48Å | ||
| 133 | I | 86.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.3 | -178.3 | -51.9 | 179.3 | 0 | 0 | 0 | 109.4 | C89 M96 F135 V185 A186 P188 | C89-I133 HydrophobicContact CB-CD1 3.68Å; C89-I133 WeakPolarHBondContact O-CD1 3.37Å; M96-I133 HydrophobicContact CB-CG2 3.96Å; M96-I133 HydrophobicContact CE-CG2 3.8Å; I133-F135 HydrophobicContact CB-CD2 4.27Å; I133-F135 HydrophobicContact CB-CE2 4.01Å; I133-F135 HydrophobicContact CD1-CE2 4.48Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE2 3.42Å; I133-F135 VanDerWaalsContact CG2-CE2 3.42Å; I133-F135 HydrophobicContact CG2-CZ 4Å; I133-V185 WeakPolarHBondContact O-CA 3.37Å; I133-A186 PolarHBondContact N-O 2.87Å; I133-P188 HydrophobicContact CD1-CB 4.05Å |
| 134 | D | 89 | Confident | 79.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 109.5 | 169.5 | -178.5 | -3 | 0 | 0 | 0 | 110.4 | M96 S101 R136 Q183 M184 V185 W230 | M96-D134 PolarHBondContact O-N 3.17Å; S101-D134 WeakPolarHBondContact CB-OD2 3.36Å; S101-D134 WeakPolarHBondContact OG-CB 3.48Å; S101-D134 PolarHBondContact OG-OD2 3.2Å; D134-R136 VanDerWaalsContact OD1-CG 3.27Å; D134-R136 WeakPolarHBondContact OD1-CG 3.29Å; D134-R136 IonicContact OD1-NE 3.44Å; D134-R136 PolarHBondContact OD1-NE 2.98Å; D134-R136 IonicContact OD2-CZ 3.5Å; D134-R136 VanDerWaalsContact OD2-CZ 3.3Å; D134-R136 IonicContact OD2-NE 3.71Å; D134-R136 PolarHBondContact OD2-NE 3.33Å; D134-R136 IonicContact OD2-NH2 3.29Å; D134-R136 PolarHBondContact OD2-NH2 3.08Å; D134-Q183 WeakPolarHBondContact OD1-CG 3.44Å; D134-Q183 PolarHBondContact OD2-NE2 3.29Å; D134-M184 WeakPolarHBondContact CA-O 3.43Å; D134-V185 HydrophobicContact CB-CG2 3.85Å; D134-W230 HydrophobicContact CB-CH2 4.09Å |
| 135 | F | 89.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.1 | 167.1 | -78.6 | -78.7 | 0 | 0 | 0 | 111.2 | M85 C89 M96 I133 M184 V191 | M85-F135 HydrophobicContact CE-CD1 3.32Å; M85-F135 HydrophobicContact CE-CE1 3.13Å; M85-F135 HydrophobicContact CE-CE2 4.45Å; M85-F135 HydrophobicContact CE-CG 4.06Å; M85-F135 HydrophobicContact CE-CZ 3.75Å; M85-F135 HydrophobicContact SD-CE1 4.2Å; C89-F135 WeakPolarHBondContact SG-CE2 3Å; M96-F135 HydrophobicContact CE-CD1 3.77Å; M96-F135 HydrophobicContact CE-CE1 3.35Å; M96-F135 HydrophobicContact CE-CE2 4.33Å; M96-F135 HydrophobicContact CE-CG 4.43Å; M96-F135 HydrophobicContact CE-CZ 3.69Å; I133-F135 HydrophobicContact CB-CD2 4.27Å; I133-F135 HydrophobicContact CB-CE2 4.01Å; I133-F135 HydrophobicContact CD1-CE2 4.48Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE2 3.42Å; I133-F135 VanDerWaalsContact CG2-CE2 3.42Å; I133-F135 HydrophobicContact CG2-CZ 4Å; F135-M184 HydrophobicContact CB-CE 4.5Å; F135-M184 PolarHBondContact N-O 3.15Å; F135-M184 PolarHBondContact O-N 2.97Å; F135-V191 HydrophobicContact CB-CG1 4.09Å; F135-V191 HydrophobicContact CD2-CB 4.31Å; F135-V191 HydrophobicContact CD2-CG1 3.69Å; F135-V191 HydrophobicContact CG-CG1 4.27Å |
| 136 | R | 91.1 | Very high | 83 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.4 | 177.8 | -56.1 | -170.6 | -173.4 | -179 | 3.7 | 109.9 | F31 L32 S101 D134 V181 V182 Q183 G228 G229 W230 | F31-R136 CarbonylContact C-O 3.59Å; F31-R136 WeakPolarHBondContact CA-O 3.32Å; L32-R136 HydrophobicContact CB-CB 4.2Å; L32-R136 PolarHBondContact N-O 2.97Å; S101-R136 PolarHBondContact O-NH2 2.87Å; S101-R136 VanDerWaalsContact O-NH2 3.13Å; D134-R136 VanDerWaalsContact OD1-CG 3.27Å; D134-R136 WeakPolarHBondContact OD1-CG 3.29Å; D134-R136 IonicContact OD1-NE 3.44Å; D134-R136 PolarHBondContact OD1-NE 2.98Å; D134-R136 IonicContact OD2-CZ 3.5Å; D134-R136 VanDerWaalsContact OD2-CZ 3.3Å; D134-R136 IonicContact OD2-NE 3.71Å; D134-R136 PolarHBondContact OD2-NE 3.33Å; D134-R136 IonicContact OD2-NH2 3.29Å; D134-R136 PolarHBondContact OD2-NH2 3.08Å; R136-V181 HydrophobicContact CB-CG1 3.77Å; R136-V181 HydrophobicContact CG-CG1 4.28Å; R136-V182 WeakPolarHBondContact CA-O 3.16Å; R136-Q183 HydrophobicContact CG-CB 4.48Å; R136-Q183 HydrophobicContact CG-CG 4.22Å; R136-G228 VanDerWaalsContact CD-O 3.26Å; R136-G228 WeakPolarHBondContact CD-O 3.31Å; R136-G228 PolarHBondContact NH1-O 3.21Å; R136-G229 PolarHBondContact NH1-O 3.04Å; R136-W230 HydrophobicContact CG-CZ2 4.03Å |
| 137 | I | 93.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.6 | 173.9 | 59.5 | 169.2 | 0 | 0 | 0 | 110.8 | I29 R30 F31 V139 V181 V182 M184 L195 V198 | I29-I137 HydrophobicContact CG2-CG2 4.18Å; R30-I137 WeakPolarHBondContact O-CA 3.44Å; F31-I137 HydrophobicContact CD1-CG2 3.41Å; F31-I137 VanDerWaalsContact CD1-CG2 3.41Å; F31-I137 HydrophobicContact CE1-CG2 3.5Å; F31-I137 VanDerWaalsContact CE1-CG2 3.5Å; F31-I137 HydrophobicContact CG-CG2 4.21Å; F31-I137 HydrophobicContact CZ-CG2 4.38Å; I137-V139 HydrophobicContact CD1-CG2 3.62Å; I137-V139 HydrophobicContact CG1-CG2 3.89Å; I137-V181 CarbonylContact O-C 3.12Å; I137-V181 WeakPolarHBondContact O-CA 3.39Å; I137-V182 HydrophobicContact CD1-CB 4.33Å; I137-V182 HydrophobicContact CG1-CB 3.77Å; I137-V182 HydrophobicContact CG1-CG2 4.3Å; I137-V182 PolarHBondContact N-O 2.92Å; I137-V182 PolarHBondContact O-N 3.47Å; I137-M184 HydrophobicContact CD1-CE 4.27Å; I137-M184 HydrophobicContact CG1-CE 4.21Å; I137-M184 HydrophobicContact CG2-CE 4.22Å; I137-L195 HydrophobicContact CG2-CD1 4.14Å; I137-V198 HydrophobicContact CD1-CG1 3.56Å |
| 138 | L | 92.9 | Very high | 86.3 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123 | 172.4 | -68.2 | 159 | 0 | 0 | 0 | 108.3 | R30 L32 I71 D179 V181 Y214 | R30-L138 HydrophobicContact CB-CB 4.13Å; R30-L138 HydrophobicContact CB-CD1 4.29Å; R30-L138 PolarHBondContact O-N 2.63Å; L32-L138 HydrophobicContact CB-CD1 4.33Å; L32-L138 HydrophobicContact CB-CG 4.21Å; L32-L138 HydrophobicContact CD1-CD1 4.47Å; L32-L138 HydrophobicContact CD2-CD2 4.48Å; I71-L138 HydrophobicContact CD1-CD1 3.77Å; I71-L138 HydrophobicContact CG1-CD1 3.82Å; I71-L138 HydrophobicContact CG2-CD1 4.07Å; L138-D179 HydrophobicContact CB-CB 4.31Å; L138-D179 HydrophobicContact CD2-CB 4Å; L138-V181 HydrophobicContact CD2-CG2 4.01Å; L138-Y214 HydrophobicContact CD1-CD1 4Å; L138-Y214 HydrophobicContact CD2-CD1 3.86Å; L138-Y214 HydrophobicContact CD2-CG 4.37Å |
| 139 | V | 92.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.1 | -177.5 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | I137 Q143 A144 R180 V182 V202 | I137-V139 HydrophobicContact CD1-CG2 3.62Å; I137-V139 HydrophobicContact CG1-CG2 3.89Å; V139-Q143 HydrophobicContact CG1-CB 3.61Å; V139-A144 HydrophobicContact CG1-CB 4.43Å; V139-R180 PolarHBondContact N-O 3.43Å; V139-R180 PolarHBondContact O-N 3.23Å; V139-V182 HydrophobicContact CB-CG2 4.22Å; V139-V182 HydrophobicContact CG2-CG2 3.93Å; V139-V202 HydrophobicContact CG1-CG2 3.86Å; V139-V202 HydrophobicContact CG2-CG2 4.09Å |
| 140 | H | 91.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 141.7 | 178.8 | -175.8 | -98.9 | 0 | 0 | 0 | 110.8 | S142 Q143 A144 T178 D179 P207 R208 R210 | H140-S142 PolarHBondContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.38Å; H140-S142 PolarHBondContact O-N 3.43Å; H140-S142 VanDerWaalsContact O-N 3.08Å; H140-Q143 HydrophobicContact CB-CG 4.08Å; H140-Q143 WeakPolarHBondContact O-CA 3.43Å; H140-Q143 WeakPolarHBondContact O-CB 3.13Å; H140-Q143 PolarHBondContact O-N 2.98Å; H140-A144 PolarHBondContact O-N 3.31Å; H140-A144 VanDerWaalsContact O-N 3.11Å; H140-T178 PolarHBondContact CD2-OG1 2.71Å; H140-T178 VanDerWaalsContact CD2-OG1 3.31Å; H140-D179 PolarHBondContact N-OD1 3.44Å; H140-P207 HydrophobicContact CB-CB 4.27Å; H140-R208 PolarHBondContact CE1-O 2.86Å; H140-R210 PolarHBondContact NE2-O 3.42Å |
| 141 | E | 90 | Very high | 90 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -33.9 | -169.5 | 61.1 | 159.2 | -173.9 | 0 | 0 | 114.9 | Q143 A144 L173 T178 R180 | E141-Q143 PolarHBondContact O-N 3.27Å; E141-A144 PolarHBondContact O-N 3.37Å; E141-L173 HydrophobicContact CB-CD2 3.9Å; E141-L173 HydrophobicContact CG-CD2 4.36Å; E141-T178 PolarHBondContact N-O 2.79Å; E141-R180 HydrophobicContact CB-CG 4.14Å; E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NE 3.79Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 3.43Å |
| 142 | S | 90 | Very high | 90.7 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.9 | -24.2 | 175.4 | 75.6 | 0 | 0 | 0 | 0 | 113.5 | H140 P207 R208 | H140-S142 PolarHBondContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.38Å; H140-S142 PolarHBondContact O-N 3.43Å; H140-S142 VanDerWaalsContact O-N 3.08Å; S142-P207 WeakPolarHBondContact OG-CA 3.48Å; S142-R208 PolarHBondContact OG-N 2.89Å |
| 143 | Q | 90.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -91 | -28.3 | -179.2 | -55 | -173.7 | -75 | 0 | 0 | 111.4 | V139 H140 E141 G145 S146 V147 V202 A205 P207 | V139-Q143 HydrophobicContact CG1-CB 3.61Å; H140-Q143 HydrophobicContact CB-CG 4.08Å; H140-Q143 WeakPolarHBondContact O-CA 3.43Å; H140-Q143 WeakPolarHBondContact O-CB 3.13Å; H140-Q143 PolarHBondContact O-N 2.98Å; E141-Q143 PolarHBondContact O-N 3.27Å; Q143-G145 PolarHBondContact O-N 3.19Å; Q143-S146 WeakPolarHBondContact O-CA 3.35Å; Q143-S146 WeakPolarHBondContact O-CB 3.47Å; Q143-S146 PolarHBondContact O-N 2.79Å; Q143-V147 PolarHBondContact O-N 3.37Å; Q143-V202 HydrophobicContact CB-CG1 4.49Å; Q143-V202 PolarHBondContact NE2-O 3.23Å; Q143-A205 VanDerWaalsContact CG-O 3.29Å; Q143-A205 WeakPolarHBondContact CG-O 3.4Å; Q143-A205 PolarHBondContact NE2-O 3.33Å; Q143-P207 HydrophobicContact CG-CB 4.34Å |
| 144 | A | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V139 H140 E141 S146 V147 I148 V169 R180 | V139-A144 HydrophobicContact CG1-CB 4.43Å; H140-A144 PolarHBondContact O-N 3.31Å; H140-A144 VanDerWaalsContact O-N 3.11Å; E141-A144 PolarHBondContact O-N 3.37Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.4Å; A144-V147 PolarHBondContact O-N 3.29Å; A144-I148 WeakPolarHBondContact O-CG1 3.45Å; A144-I148 PolarHBondContact O-N 3.28Å; A144-V169 HydrophobicContact CB-CG1 4.1Å; A144-R180 HydrophobicContact CB-CB 4.46Å |
| 145 | G | 91.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -28.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q143 G149 | Q143-G145 PolarHBondContact O-N 3.19Å; G145-G149 PolarHBondContact O-N 3.29Å |
| 146 | S | 90.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 49 Ų | 49 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 173.5 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | Q143 A144 A201 | Q143-S146 WeakPolarHBondContact O-CA 3.35Å; Q143-S146 WeakPolarHBondContact O-CB 3.47Å; Q143-S146 PolarHBondContact O-N 2.79Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.4Å; S146-A201 WeakPolarHBondContact CB-O 3.27Å; S146-A201 PolarHBondContact OG-O 3.39Å |
| 147 | V | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | Q143 A144 L158 V198 V202 | Q143-V147 PolarHBondContact O-N 3.37Å; A144-V147 PolarHBondContact O-N 3.29Å; V147-L158 HydrophobicContact CG1-CD1 4.45Å; V147-V198 HydrophobicContact CG1-CG1 3.93Å; V147-V198 HydrophobicContact CG1-CG2 4.18Å; V147-V198 HydrophobicContact CG2-CG1 3.99Å; V147-V202 HydrophobicContact CG2-CG2 3.75Å |
| 148 | I | 93 | Very high | 91.9 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 176.4 | -64 | 170.2 | 0 | 0 | 0 | 111.2 | A144 G152 R154 I155 V169 | A144-I148 WeakPolarHBondContact O-CG1 3.45Å; A144-I148 PolarHBondContact O-N 3.28Å; I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.17Å; I148-R154 PolarHBondContact O-N 2.54Å; I148-I155 HydrophobicContact CB-CG2 4.47Å; I148-I155 HydrophobicContact CG2-CG2 4.11Å; I148-I155 PolarHBondContact O-N 2.94Å; I148-I155 VanDerWaalsContact O-N 3.08Å; I148-V169 HydrophobicContact CD1-CB 4.1Å; I148-V169 HydrophobicContact CD1-CG1 4.15Å; I148-V169 HydrophobicContact CD1-CG2 4.16Å; I148-V169 HydrophobicContact CG1-CB 4.28Å; I148-V169 HydrophobicContact CG1-CG2 3.8Å |
| 149 | G | 90.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | trans | 74.4 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | G145 G151 G152 | G145-G149 PolarHBondContact O-N 3.29Å; G149-G151 PolarHBondContact O-N 3.33Å; G149-G152 PolarHBondContact O-N 3.24Å | ||
| 150 | R | 92 | Very high | 91.8 | Very high | 213 Ų | 213 | 62.1 Ų | 62.1 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.9 | 126.2 | -179.9 | -63.9 | 179.1 | -61.5 | -174.6 | 2.2 | 109.3 | G152 E153 | R150-G152 PolarHBondContact O-N 3.34Å; R150-G152 VanDerWaalsContact O-N 3.09Å; R150-E153 VanDerWaalsContact O-CB 3.27Å; R150-E153 WeakPolarHBondContact O-CB 3.38Å; R150-E153 PolarHBondContact O-N 2.63Å; R150-E153 VanDerWaalsContact O-N 3.16Å |
| 151 | G | 91 | Very high | 91.9 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 98% | 0.979 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | 63.3 | 11.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G149 | G149-G151 PolarHBondContact O-N 3.33Š|
| 152 | G | 90.9 | Very high | 92 | Very high | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 81.2 | 10.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I148 G149 R150 I155 K156 | I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.17Å; G149-G152 PolarHBondContact O-N 3.24Å; R150-G152 PolarHBondContact O-N 3.34Å; R150-G152 VanDerWaalsContact O-N 3.09Å; G152-I155 VanDerWaalsContact O-CG2 3.27Å; G152-I155 WeakPolarHBondContact O-CG2 3.4Å; G152-K156 WeakPolarHBondContact O-CB 3.48Å; G152-K156 PolarHBondContact O-N 2.93Å; G152-K156 VanDerWaalsContact O-N 3.13Å |
| 153 | E | 93.3 | Very high | 91.9 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.6 | -54.6 | 177.7 | -177.7 | 175.2 | -130.4 | 0 | 0 | 111.7 | R150 I155 K156 D157 | R150-E153 VanDerWaalsContact O-CB 3.27Å; R150-E153 WeakPolarHBondContact O-CB 3.38Å; R150-E153 PolarHBondContact O-N 2.63Å; R150-E153 VanDerWaalsContact O-N 3.16Å; E153-I155 PolarHBondContact O-N 3.48Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.17Å; E153-D157 VanDerWaalsContact O-CG 3.29Å; E153-D157 PolarHBondContact O-N 2.94Å |
| 154 | R | 93.2 | Very high | 91.7 | Very high | 96 Ų | 96 | 71 Ų | 71 | 36% | 0.362 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | -173.3 | -170.2 | 172.6 | 176.7 | 87.1 | -2.5 | 113.4 | I148 K156 D157 L158 A197 | I148-R154 PolarHBondContact O-N 2.54Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.86Å; R154-D157 PolarHBondContact O-N 2.81Å; R154-L158 WeakPolarHBondContact O-CB 3.19Å; R154-L158 VanDerWaalsContact O-CG 3.27Å; R154-L158 WeakPolarHBondContact O-CG 3.26Å; R154-L158 PolarHBondContact O-N 3.41Å; R154-A197 PolarHBondContact NH2-O 2.8Å |
| 155 | I | 93.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 75.5 Ų | 75.5 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 174.4 | -174.8 | 170.1 | 0 | 0 | 0 | 112.1 | I148 G152 E153 R159 I167 V169 | I148-I155 HydrophobicContact CB-CG2 4.47Å; I148-I155 HydrophobicContact CG2-CG2 4.11Å; I148-I155 PolarHBondContact O-N 2.94Å; I148-I155 VanDerWaalsContact O-N 3.08Å; G152-I155 VanDerWaalsContact O-CG2 3.27Å; G152-I155 WeakPolarHBondContact O-CG2 3.4Å; E153-I155 PolarHBondContact O-N 3.48Å; I155-R159 PolarHBondContact O-N 2.95Å; I155-R159 VanDerWaalsContact O-N 3.1Å; I155-I167 HydrophobicContact CD1-CG1 4.12Å; I155-I167 HydrophobicContact CD1-CG2 4.32Å; I155-I167 HydrophobicContact CG1-CD1 4.12Å; I155-I167 HydrophobicContact CG1-CG1 4.03Å; I155-I167 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CD1-CG2 4.06Å |
| 156 | K | 92.1 | Very high | 91.1 | Very high | 121 Ų | 121 | 75 Ų | 75 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 170.9 | -173.4 | -177.1 | 173.7 | -66.9 | 0 | 110.9 | G152 E153 R154 L158 R159 D160 | G152-K156 WeakPolarHBondContact O-CB 3.48Å; G152-K156 PolarHBondContact O-N 2.93Å; G152-K156 VanDerWaalsContact O-N 3.13Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.17Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.86Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 2.83Å; K156-R159 WeakPolarHBondContact O-CA 3.42Å; K156-R159 VanDerWaalsContact O-CB 3.31Å; K156-R159 WeakPolarHBondContact O-CB 3.33Å; K156-R159 PolarHBondContact O-N 2.91Å; K156-D160 IonicContact NZ-OD2 2.75Å; K156-D160 PolarHBondContact NZ-OD2 3.49Å; K156-D160 PolarHBondContact O-N 3.45Å |
| 157 | D | 94 | Very high | 91.1 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.6 | -64.7 | -21.6 | 0 | 0 | 0 | 111.9 | E153 R154 R159 D160 K161 | E153-D157 VanDerWaalsContact O-CG 3.29Å; E153-D157 PolarHBondContact O-N 2.94Å; R154-D157 PolarHBondContact O-N 2.81Å; D157-R159 VanDerWaalsContact C-N 3.27Å; D157-R159 PolarHBondContact O-N 3.14Å; D157-D160 PolarHBondContact O-N 2.94Å; D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.09Å |
| 158 | L | 93.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | 174.1 | -72.4 | 173.9 | 0 | 0 | 0 | 111.8 | V147 R154 K156 Y162 I167 A197 V198 | V147-L158 HydrophobicContact CG1-CD1 4.45Å; R154-L158 WeakPolarHBondContact O-CB 3.19Å; R154-L158 VanDerWaalsContact O-CG 3.27Å; R154-L158 WeakPolarHBondContact O-CG 3.26Å; R154-L158 PolarHBondContact O-N 3.41Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 2.83Å; L158-Y162 HydrophobicContact CD2-CD2 4.1Å; L158-Y162 HydrophobicContact CD2-CE2 3.76Å; L158-Y162 WeakPolarHBondContact O-CD2 3.09Å; L158-Y162 PolarHBondContact O-N 3.29Å; L158-I167 HydrophobicContact CB-CD1 4.16Å; L158-I167 HydrophobicContact CD1-CD1 4.32Å; L158-A197 HydrophobicContact CD2-CB 3.63Å; L158-V198 HydrophobicContact CD1-CG2 3.69Å |
| 159 | R | 90.7 | Very high | 90.9 | Very high | 115 Ų | 115 | 76.8 Ų | 76.8 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.8 | -51.4 | 176.9 | -161.2 | -174.7 | -164 | 171.6 | 3.9 | 112 | I155 K156 D157 K163 M164 R165 I167 | I155-R159 PolarHBondContact O-N 2.95Å; I155-R159 VanDerWaalsContact O-N 3.1Å; K156-R159 WeakPolarHBondContact O-CA 3.42Å; K156-R159 VanDerWaalsContact O-CB 3.31Å; K156-R159 WeakPolarHBondContact O-CB 3.33Å; K156-R159 PolarHBondContact O-N 2.91Å; D157-R159 VanDerWaalsContact C-N 3.27Å; D157-R159 PolarHBondContact O-N 3.14Å; R159-K163 CarbonylContact O-C 3.45Å; R159-K163 VanDerWaalsContact O-CA 3.23Å; R159-K163 WeakPolarHBondContact O-CA 3.08Å; R159-K163 PolarHBondContact O-N 2.77Å; R159-M164 HydrophobicContact CG-CB 4.03Å; R159-M164 WeakPolarHBondContact CG-O 3.18Å; R159-M164 PolarHBondContact NE-O 2.82Å; R159-M164 PolarHBondContact O-N 2.77Å; R159-R165 PolarHBondContact NH2-O 2.85Å; R159-I167 HydrophobicContact CB-CG2 3.83Å; R159-I167 HydrophobicContact CG-CG2 3.94Å |
| 160 | D | 92.6 | Very high | 90.9 | Very high | 94 Ų | 94 | 76 Ų | 76 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.8 | -39.9 | -173.6 | -64.9 | -11.3 | 0 | 0 | 0 | 111 | K156 D157 | K156-D160 IonicContact NZ-OD2 2.75Å; K156-D160 PolarHBondContact NZ-OD2 3.49Å; K156-D160 PolarHBondContact O-N 3.45Å; D157-D160 PolarHBondContact O-N 2.94Å |
| 161 | K | 93 | Very high | 90.7 | Very high | 145 Ų | 145 | 74.1 Ų | 74.1 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | -179.1 | -176.1 | -175.5 | 178.3 | -165.8 | 0 | 113.6 | D157 | D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.09Å |
| 162 | Y | 91.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 12.4 | -177.4 | -56.6 | -67.4 | 0 | 0 | 0 | 113.1 | L158 M164 N190 Q193 C194 A197 | L158-Y162 HydrophobicContact CD2-CD2 4.1Å; L158-Y162 HydrophobicContact CD2-CE2 3.76Å; L158-Y162 WeakPolarHBondContact O-CD2 3.09Å; L158-Y162 PolarHBondContact O-N 3.29Å; Y162-M164 VanDerWaalsContact C-N 3.27Å; Y162-M164 WeakPolarHBondContact O-CE 3.28Å; Y162-M164 PolarHBondContact O-N 2.96Å; Y162-N190 WeakPolarHBondContact O-CB 3.26Å; Y162-Q193 HydrophobicContact CD1-CB 3.6Å; Y162-Q193 HydrophobicContact CE1-CB 3.57Å; Y162-Q193 HydrophobicContact CG-CB 4.5Å; Y162-C194 HydrophobicContact CD2-CB 3.82Å; Y162-C194 HydrophobicContact CG-CB 4.02Å; Y162-A197 HydrophobicContact CE2-CB 3.86Å |
| 163 | K | 88.2 | Confident | 90.3 | Very high | 166 Ų | 166 | 75.1 Ų | 75.1 | 72% | 0.722 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41 | -179.3 | -58.4 | -175.8 | 178.8 | -176.9 | 0 | 113.8 | R159 R165 | R159-K163 CarbonylContact O-C 3.45Å; R159-K163 VanDerWaalsContact O-CA 3.23Å; R159-K163 WeakPolarHBondContact O-CA 3.08Å; R159-K163 PolarHBondContact O-N 2.77Å; K163-R165 PolarHBondContact O-N 2.88Å |
| 164 | M | 87 | Confident | 89.9 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 116.5 | -179 | -59.8 | -77.9 | 99.7 | 0 | 0 | 111.2 | R159 Y162 V166 I167 A186 N190 V191 C194 | R159-M164 HydrophobicContact CG-CB 4.03Å; R159-M164 WeakPolarHBondContact CG-O 3.18Å; R159-M164 PolarHBondContact NE-O 2.82Å; R159-M164 PolarHBondContact O-N 2.77Å; Y162-M164 VanDerWaalsContact C-N 3.27Å; Y162-M164 WeakPolarHBondContact O-CE 3.28Å; Y162-M164 PolarHBondContact O-N 2.96Å; M164-V166 VanDerWaalsContact C-N 3.35Å; M164-V166 PolarHBondContact O-N 3.35Å; M164-I167 HydrophobicContact CB-CB 4.25Å; M164-I167 HydrophobicContact CB-CG2 4.38Å; M164-A186 HydrophobicContact CE-CB 3.29Å; M164-A186 HydrophobicContact SD-CB 4Å; M164-N190 VanDerWaalsContact CE-C 3.41Å; M164-N190 HydrophobicContact CE-CB 3.77Å; M164-N190 WeakPolarHBondContact CE-O 3.49Å; M164-V191 HydrophobicContact CE-CG2 4.21Å; M164-V191 HydrophobicContact SD-CG2 4.41Å; M164-C194 HydrophobicContact CE-CB 3.75Å; M164-C194 HydrophobicContact CG-CB 4.25Å; M164-C194 HydrophobicContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-SG 3.63Å | ||
| 165 | R | 83.9 | Confident | 89.3 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -57.8 | -49.6 | 174.7 | -173.6 | -168.6 | -179.3 | 98.9 | -9.9 | 110.5 | D129 M132 R159 K163 V185 | D129-R165 WeakPolarHBondContact OD1-CD 3.26Å; D129-R165 IonicContact OD1-CZ 3.9Å; D129-R165 IonicContact OD1-NE 2.75Å; D129-R165 PolarHBondContact OD1-NE 2.89Å; D129-R165 VanDerWaalsContact OD1-NE 3.13Å; D129-R165 IonicContact OD1-NH1 2.78Å; D129-R165 PolarHBondContact OD1-NH1 3.24Å; D129-R165 IonicContact OD1-NH2 3.21Å; D129-R165 PolarHBondContact OD1-NH2 3.08Å; D129-R165 IonicContact OD2-CZ 3.77Å; D129-R165 IonicContact OD2-NE 3.77Å; D129-R165 IonicContact OD2-NH1 3.68Å; D129-R165 PolarHBondContact OD2-NH1 3.16Å; D129-R165 IonicContact OD2-NH2 3.3Å; D129-R165 PolarHBondContact OD2-NH2 3.03Å; M132-R165 HydrophobicContact SD-CB 3.64Å; M132-R165 VanDerWaalsContact SD-CD 3.52Å; M132-R165 HydrophobicContact SD-CG 4.11Å; R159-R165 PolarHBondContact NH2-O 2.85Å; K163-R165 PolarHBondContact O-N 2.88Å; R165-V185 WeakPolarHBondContact CB-O 3.13Å; R165-V185 PolarHBondContact N-O 3.35Å |
| 166 | V | 86 | Confident | 88.9 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.3 | 172.6 | -171.2 | 0 | 0 | 0 | 0 | 109 | M164 K168 V185 | M164-V166 VanDerWaalsContact C-N 3.35Å; M164-V166 PolarHBondContact O-N 3.35Å; V166-K168 HydrophobicContact CG1-CB 4.3Å; V166-V185 HydrophobicContact CB-CB 3.92Å; V166-V185 HydrophobicContact CB-CG2 3.9Å; V166-V185 HydrophobicContact CG2-CB 4.31Å; V166-V185 HydrophobicContact CG2-CG2 4.42Å; V166-V185 PolarHBondContact N-O 2.96Å; V166-V185 VanDerWaalsContact N-O 3.11Å; V166-V185 PolarHBondContact O-N 2.9Å |
| 167 | I | 90.1 | Very high | 88.7 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122 | 160.4 | -173 | 167 | 0 | 0 | 0 | 107.3 | I155 L158 R159 M164 Q183 M184 | I155-I167 HydrophobicContact CD1-CG1 4.12Å; I155-I167 HydrophobicContact CD1-CG2 4.32Å; I155-I167 HydrophobicContact CG1-CD1 4.12Å; I155-I167 HydrophobicContact CG1-CG1 4.03Å; I155-I167 HydrophobicContact CG1-CG2 3.8Å; L158-I167 HydrophobicContact CB-CD1 4.16Å; L158-I167 HydrophobicContact CD1-CD1 4.32Å; R159-I167 HydrophobicContact CB-CG2 3.83Å; R159-I167 HydrophobicContact CG-CG2 3.94Å; M164-I167 HydrophobicContact CB-CB 4.25Å; M164-I167 HydrophobicContact CB-CG2 4.38Å; I167-Q183 WeakPolarHBondContact CA-O 3.46Å; I167-M184 HydrophobicContact CD1-CG 4.27Å; I167-M184 HydrophobicContact CG1-CG 4.2Å |
| 168 | K | 89.6 | Confident | 88.4 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 121.9 | -171.8 | -176 | -171.4 | 177.5 | -168.2 | 0 | 110.3 | V166 Y170 V182 Q183 | V166-K168 HydrophobicContact CG1-CB 4.3Å; K168-Y170 HydrophobicContact CD-CE1 4.15Å; K168-Y170 HydrophobicContact CD-CE2 4.12Å; K168-V182 WeakPolarHBondContact O-CA 3.48Å; K168-Q183 HydrophobicContact CB-CB 4.36Å; K168-Q183 PolarHBondContact N-O 2.96Å; K168-Q183 PolarHBondContact O-N 2.75Å |
| 169 | V | 92.4 | Very high | 88.4 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.6 | 164.5 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | A144 I148 I155 V182 | A144-V169 HydrophobicContact CB-CG1 4.1Å; I148-V169 HydrophobicContact CD1-CB 4.1Å; I148-V169 HydrophobicContact CD1-CG1 4.15Å; I148-V169 HydrophobicContact CD1-CG2 4.16Å; I148-V169 HydrophobicContact CG1-CB 4.28Å; I148-V169 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CD1-CG2 4.06Å; V169-V182 HydrophobicContact CG1-CG2 4.42Å; V169-V182 HydrophobicContact CG2-CG1 4.03Å; V169-V182 HydrophobicContact CG2-CG2 4.02Å |
| 170 | Y | 90.8 | Very high | 88.5 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | trans | -78.2 | 144.4 | 177 | -75.2 | -93.4 | 0 | 0 | 0 | 111.7 | K168 V181 Q183 L225 N226 Y227 | K168-Y170 HydrophobicContact CD-CE1 4.15Å; K168-Y170 HydrophobicContact CD-CE2 4.12Å; Y170-V181 HydrophobicContact CD2-CB 3.99Å; Y170-V181 HydrophobicContact CD2-CG1 4.29Å; Y170-V181 PolarHBondContact N-O 2.94Å; Y170-Q183 HydrophobicContact CE2-CB 4Å; Y170-Q183 PolarHBondContact OH-OE1 3.04Å; Y170-L225 VanDerWaalsContact CE1-O 3.31Å; Y170-L225 WeakPolarHBondContact CE1-O 3Å; Y170-N226 VanDerWaalsContact CD1-O 3.27Å; Y170-N226 WeakPolarHBondContact CD1-O 3.37Å; Y170-Y227 VanDerWaalsContact CB-O 3.26Å; Y170-Y227 WeakPolarHBondContact CB-O 3.32Å | ||
| 171 | Q | 87.3 | Confident | 88.5 | Confident | 173 Ų | 173 | 55.9 Ų | 55.9 | 81% | 0.808 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -87.1 | -29 | -177.4 | -70.9 | -171.6 | 0.1 | 0 | 0 | 113 | R180 | Q171-R180 PolarHBondContact O-NH1 2.84Š|
| 172 | M | 87.5 | Confident | 88.5 | Confident | 77 Ų | 77 | 49 Ų | 49 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.2 | 147 | 169 | -49.4 | -150.5 | -31.7 | 0 | 0 | 109.9 | D223 N226 | M172-D223 HydrophobicContact CE-CB 3.89Å; M172-N226 HydrophobicContact CE-CB 3.45Å; M172-N226 VanDerWaalsContact CE-CB 3.45Å; M172-N226 HydrophobicContact CG-CB 4.3Å; M172-N226 HydrophobicContact SD-CB 3.74Å |
| 173 | L | 87.4 | Confident | 88.5 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 156.7 | 165.9 | -53.5 | 179.7 | 0 | 0 | 0 | 109.3 | E141 S177 D179 R180 Y227 | E141-L173 HydrophobicContact CB-CD2 3.9Å; E141-L173 HydrophobicContact CG-CD2 4.36Å; L173-S177 WeakPolarHBondContact CB-O 3.33Å; L173-S177 WeakPolarHBondContact CD1-O 3.3Å; L173-D179 CarbonylContact C-O 3.59Å; L173-D179 WeakPolarHBondContact CA-O 3.49Å; L173-R180 HydrophobicContact CD2-CG 3.62Å; L173-Y227 WeakPolarHBondContact O-CB 3.27Å |
| 174 | A | 83.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 144.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L176 S177 D179 Y214 Y227 | A174-L176 PolarHBondContact O-N 3.25Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-D179 PolarHBondContact N-O 3.34Å; A174-Y214 HydrophobicContact CB-CD1 3.98Å; A174-Y214 HydrophobicContact CB-CD2 3.48Å; A174-Y214 VanDerWaalsContact CB-CD2 3.48Å; A174-Y214 HydrophobicContact CB-CE1 4.22Å; A174-Y214 HydrophobicContact CB-CE2 3.76Å; A174-Y214 HydrophobicContact CB-CG 3.61Å; A174-Y227 HydrophobicContact CB-CD2 4.18Å |
| 175 | P | 82.1 | Confident | 88.8 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 133.6 | -171.9 | 18.9 | -29.7 | 0 | 0 | 0 | 112.6 | S177 Y214 N218 Y227 | P175-S177 VanDerWaalsContact C-N 3.33Å; P175-S177 PolarHBondContact O-N 3.12Å; P175-S177 PolarHBondContact O-OG 3.19Å; P175-Y214 HydrophobicContact CG-CE2 3.9Å; P175-N218 WeakPolarHBondContact CB-O 3.49Å; P175-N218 WeakPolarHBondContact CG-O 3.47Å; P175-Y227 HydrophobicContact CG-CD1 4.43Å; P175-Y227 HydrophobicContact CG-CE1 4.02Å |
| 176 | L | 84.1 | Confident | 89.1 | Confident | 141 Ų | 141 | 35.6 Ų | 35.6 | 74% | 0.738 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 36.3 | -174.7 | -58.6 | 174.4 | 0 | 0 | 0 | 114.1 | A174 N218 | A174-L176 PolarHBondContact O-N 3.25Å; L176-N218 HydrophobicContact CD1-CB 4.37Å |
| 177 | S | 87.5 | Confident | 89.2 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -154.1 | 169.3 | -174.9 | -60.3 | 0 | 0 | 0 | 0 | 114.8 | L173 A174 P175 Y214 | L173-S177 WeakPolarHBondContact CB-O 3.33Å; L173-S177 WeakPolarHBondContact CD1-O 3.3Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.16Å; P175-S177 VanDerWaalsContact C-N 3.33Å; P175-S177 PolarHBondContact O-N 3.12Å; P175-S177 PolarHBondContact O-OG 3.19Å; S177-Y214 VanDerWaalsContact OG-CA 3.23Å; S177-Y214 WeakPolarHBondContact OG-CA 3.34Å |
| 178 | T | 88.9 | Confident | 89.1 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -100.2 | 1.8 | -179.6 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | H140 E141 E212 | H140-T178 PolarHBondContact CD2-OG1 2.71Å; H140-T178 VanDerWaalsContact CD2-OG1 3.31Å; E141-T178 PolarHBondContact N-O 2.79Å; T178-E212 HydrophobicContact CG2-CB 4.07Å; T178-E212 PolarHBondContact N-O 2.88Å; T178-E212 PolarHBondContact OG1-N 3Å; T178-E212 PolarHBondContact OG1-O 3.21Å |
| 179 | D | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 146.9 | -179.1 | -68.4 | -56 | 0 | 0 | 0 | 113.1 | R30 L138 H140 L173 A174 D213 Y214 | R30-D179 IonicContact CZ-OD1 2.98Å; R30-D179 IonicContact CZ-OD2 3.04Å; R30-D179 VanDerWaalsContact CZ-OD2 3.32Å; R30-D179 IonicContact NH1-OD1 3.13Å; R30-D179 IonicContact NH1-OD2 2.75Å; R30-D179 PolarHBondContact NH1-OD2 3.26Å; R30-D179 VanDerWaalsContact NH2-CG 3.28Å; R30-D179 IonicContact NH2-OD1 3.96Å; R30-D179 PolarHBondContact NH2-OD1 3.45Å; R30-D179 IonicContact NH2-OD2 2.7Å; R30-D179 PolarHBondContact NH2-OD2 3.14Å; L138-D179 HydrophobicContact CB-CB 4.31Å; L138-D179 HydrophobicContact CD2-CB 4Å; H140-D179 PolarHBondContact N-OD1 3.44Å; L173-D179 CarbonylContact C-O 3.59Å; L173-D179 WeakPolarHBondContact CA-O 3.49Å; A174-D179 PolarHBondContact N-O 3.34Å; D179-D213 WeakPolarHBondContact OD2-CA 3.46Å; D179-Y214 PolarHBondContact OD2-N 3.04Å |
| 180 | R | 92.5 | Very high | 89.1 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.9 | 166.7 | -65.6 | 173.9 | -171.9 | -103 | -5 | 109.1 | V139 E141 A144 Q171 L173 | V139-R180 PolarHBondContact N-O 3.43Å; V139-R180 PolarHBondContact O-N 3.23Å; E141-R180 HydrophobicContact CB-CG 4.14Å; E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NE 3.79Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 3.43Å; A144-R180 HydrophobicContact CB-CB 4.46Å; Q171-R180 PolarHBondContact O-NH1 2.84Å; L173-R180 HydrophobicContact CD2-CG 3.62Å |
| 181 | V | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.7 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | L32 R136 I137 L138 Y170 Y227 | L32-V181 HydrophobicContact CD2-CG1 4.48Å; L32-V181 HydrophobicContact CD2-CG2 3.73Å; R136-V181 HydrophobicContact CB-CG1 3.77Å; R136-V181 HydrophobicContact CG-CG1 4.28Å; I137-V181 CarbonylContact O-C 3.12Å; I137-V181 WeakPolarHBondContact O-CA 3.39Å; L138-V181 HydrophobicContact CD2-CG2 4.01Å; Y170-V181 HydrophobicContact CD2-CB 3.99Å; Y170-V181 HydrophobicContact CD2-CG1 4.29Å; Y170-V181 PolarHBondContact N-O 2.94Å; V181-Y227 VanDerWaalsContact CB-O 3.28Å; V181-Y227 WeakPolarHBondContact CB-O 3.46Å; V181-Y227 HydrophobicContact CG2-CD2 4.34Å; V181-Y227 WeakPolarHBondContact CG2-O 3.21Å |
| 182 | V | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.7 | 164.9 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | R136 I137 V139 K168 V169 M184 | R136-V182 WeakPolarHBondContact CA-O 3.16Å; I137-V182 HydrophobicContact CD1-CB 4.33Å; I137-V182 HydrophobicContact CG1-CB 3.77Å; I137-V182 HydrophobicContact CG1-CG2 4.3Å; I137-V182 PolarHBondContact N-O 2.92Å; I137-V182 PolarHBondContact O-N 3.47Å; V139-V182 HydrophobicContact CB-CG2 4.22Å; V139-V182 HydrophobicContact CG2-CG2 3.93Å; K168-V182 WeakPolarHBondContact O-CA 3.48Å; V169-V182 HydrophobicContact CG1-CG2 4.42Å; V169-V182 HydrophobicContact CG2-CG1 4.03Å; V169-V182 HydrophobicContact CG2-CG2 4.02Å; V182-M184 HydrophobicContact CG1-CG 4.44Å |
| 183 | Q | 92.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.7 | 176.2 | -167.7 | -172.1 | 19.2 | 0 | 0 | 110 | D134 R136 I167 K168 Y170 V185 | D134-Q183 WeakPolarHBondContact OD1-CG 3.44Å; D134-Q183 PolarHBondContact OD2-NE2 3.29Å; R136-Q183 HydrophobicContact CG-CB 4.48Å; R136-Q183 HydrophobicContact CG-CG 4.22Å; I167-Q183 WeakPolarHBondContact CA-O 3.46Å; K168-Q183 HydrophobicContact CB-CB 4.36Å; K168-Q183 PolarHBondContact N-O 2.96Å; K168-Q183 PolarHBondContact O-N 2.75Å; Y170-Q183 HydrophobicContact CE2-CB 4Å; Y170-Q183 PolarHBondContact OH-OE1 3.04Å; Q183-V185 HydrophobicContact CG-CG2 4.14Å |
| 184 | M | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 117 | 179.2 | -64 | 175.3 | -67.8 | 0 | 0 | 109.1 | D134 F135 I137 I167 V182 V191 L195 V198 | D134-M184 WeakPolarHBondContact CA-O 3.43Å; F135-M184 HydrophobicContact CB-CE 4.5Å; F135-M184 PolarHBondContact N-O 3.15Å; F135-M184 PolarHBondContact O-N 2.97Å; I137-M184 HydrophobicContact CD1-CE 4.27Å; I137-M184 HydrophobicContact CG1-CE 4.21Å; I137-M184 HydrophobicContact CG2-CE 4.22Å; I167-M184 HydrophobicContact CD1-CG 4.27Å; I167-M184 HydrophobicContact CG1-CG 4.2Å; V182-M184 HydrophobicContact CG1-CG 4.44Å; M184-V191 HydrophobicContact CB-CG1 4.06Å; M184-L195 HydrophobicContact CE-CB 4.45Å; M184-L195 HydrophobicContact CE-CD1 3.99Å; M184-V198 HydrophobicContact SD-CG2 4.03Å |
| 185 | V | 90.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 114.7 | -177.1 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | A98 M132 I133 D134 R165 V166 Q183 | A98-V185 HydrophobicContact CB-CG1 3.52Å; M132-V185 HydrophobicContact CB-CG1 4.17Å; I133-V185 WeakPolarHBondContact O-CA 3.37Å; D134-V185 HydrophobicContact CB-CG2 3.85Å; R165-V185 WeakPolarHBondContact CB-O 3.13Å; R165-V185 PolarHBondContact N-O 3.35Å; V166-V185 HydrophobicContact CB-CB 3.92Å; V166-V185 HydrophobicContact CB-CG2 3.9Å; V166-V185 HydrophobicContact CG2-CB 4.31Å; V166-V185 HydrophobicContact CG2-CG2 4.42Å; V166-V185 PolarHBondContact N-O 2.96Å; V166-V185 VanDerWaalsContact N-O 3.11Å; V166-V185 PolarHBondContact O-N 2.9Å; Q183-V185 HydrophobicContact CG-CG2 4.14Å |
| 186 | A | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -170 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M132 I133 M164 N190 V191 | M132-A186 CarbonylContact C-O 3.51Å; M132-A186 VanDerWaalsContact CA-O 3.28Å; M132-A186 WeakPolarHBondContact CA-O 3.48Å; I133-A186 PolarHBondContact N-O 2.87Å; M164-A186 HydrophobicContact CE-CB 3.29Å; M164-A186 HydrophobicContact SD-CB 4Å; A186-N190 HydrophobicContact CB-CB 4.12Å; A186-V191 HydrophobicContact CB-CG2 3.66Å; A186-V191 WeakPolarHBondContact O-CG2 3.41Å |
| 187 | D | 89.1 | Confident | 91.1 | Very high | 54 Ų | 54 | 25.1 Ų | 25.1 | 29% | 0.289 | 13% | 0.125 | S | C | . | . | trans | -58.1 | 149.6 | 171.1 | -39.1 | -83.1 | 0 | 0 | 0 | 112.2 | D189 N190 V191 | D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D187-N190 HydrophobicContact CB-CB 4.22Å; D187-N190 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact OD2-ND2 2.81Å; D187-V191 WeakPolarHBondContact O-CG2 3.27Å; D187-V191 PolarHBondContact O-N 3.41Å | ||
| 188 | P | 87.8 | Confident | 91.3 | Very high | 42 Ų | 42 | 24.6 Ų | 24.6 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -53.8 | -44.4 | -176.7 | 19.9 | -33.8 | 0 | 0 | 0 | 114 | C89 I133 V192 | C89-P188 HydrophobicContact CB-CB 3.73Å; I133-P188 HydrophobicContact CD1-CB 4.05Å; P188-V192 WeakPolarHBondContact O-CG2 3.34Å; P188-V192 PolarHBondContact O-N 2.78Å; P188-V192 VanDerWaalsContact O-N 3.16Å |
| 189 | D | 89.2 | Confident | 91.4 | Very high | 99 Ų | 99 | 24 Ų | 24 | 53% | 0.529 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -69.2 | -32.6 | 178.9 | -68.5 | -64.3 | 0 | 0 | 0 | 113.2 | D187 Q193 | D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.37Å; D189-Q193 PolarHBondContact O-NE2 3.04Å; D189-Q193 VanDerWaalsContact O-NE2 3.12Å |
| 190 | N | 91.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74 | -43.2 | 178.3 | -76.5 | -30.5 | 0 | 0 | 0 | 110.8 | Y162 M164 A186 D187 Q193 C194 | Y162-N190 WeakPolarHBondContact O-CB 3.26Å; M164-N190 VanDerWaalsContact CE-C 3.41Å; M164-N190 HydrophobicContact CE-CB 3.77Å; M164-N190 WeakPolarHBondContact CE-O 3.49Å; A186-N190 HydrophobicContact CB-CB 4.12Å; D187-N190 HydrophobicContact CB-CB 4.22Å; D187-N190 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact OD2-ND2 2.81Å; N190-Q193 PolarHBondContact O-N 3.06Å; N190-C194 PolarHBondContact O-N 2.99Å |
| 191 | V | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | F135 M164 M184 A186 D187 Q193 C194 L195 | F135-V191 HydrophobicContact CB-CG1 4.09Å; F135-V191 HydrophobicContact CD2-CB 4.31Å; F135-V191 HydrophobicContact CD2-CG1 3.69Å; F135-V191 HydrophobicContact CG-CG1 4.27Å; M164-V191 HydrophobicContact CE-CG2 4.21Å; M164-V191 HydrophobicContact SD-CG2 4.41Å; M184-V191 HydrophobicContact CB-CG1 4.06Å; A186-V191 HydrophobicContact CB-CG2 3.66Å; A186-V191 WeakPolarHBondContact O-CG2 3.41Å; D187-V191 WeakPolarHBondContact O-CG2 3.27Å; D187-V191 PolarHBondContact O-N 3.41Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.11Å; V191-C194 PolarHBondContact O-N 3.41Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 PolarHBondContact O-N 2.89Å |
| 192 | V | 92 | Very high | 91 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | C82 M85 R86 P188 R196 | C82-V192 HydrophobicContact CB-CG1 3.94Å; C82-V192 WeakPolarHBondContact O-CG1 3.49Å; M85-V192 HydrophobicContact CB-CG2 3.88Å; R86-V192 HydrophobicContact CG-CB 4.47Å; R86-V192 HydrophobicContact CG-CG1 4.16Å; R86-V192 HydrophobicContact CG-CG2 4.03Å; P188-V192 WeakPolarHBondContact O-CG2 3.34Å; P188-V192 PolarHBondContact O-N 2.78Å; P188-V192 VanDerWaalsContact O-N 3.16Å; V192-R196 PolarHBondContact O-N 2.91Å |
| 193 | Q | 92.2 | Very high | 90.6 | Very high | 89 Ų | 89 | 28.2 Ų | 28.2 | 42% | 0.416 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -70.4 | -39 | 175.7 | -71.3 | 177.1 | 68.9 | 0 | 0 | 113.2 | Y162 D189 N190 V191 A197 | Y162-Q193 HydrophobicContact CD1-CB 3.6Å; Y162-Q193 HydrophobicContact CE1-CB 3.57Å; Y162-Q193 HydrophobicContact CG-CB 4.5Å; D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.37Å; D189-Q193 PolarHBondContact O-NE2 3.04Å; D189-Q193 VanDerWaalsContact O-NE2 3.12Å; N190-Q193 PolarHBondContact O-N 3.06Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.11Å; Q193-A197 PolarHBondContact O-N 3.15Å |
| 194 | C | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 176 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | Y162 M164 N190 V191 R196 A197 V198 | Y162-C194 HydrophobicContact CD2-CB 3.82Å; Y162-C194 HydrophobicContact CG-CB 4.02Å; M164-C194 HydrophobicContact CE-CB 3.75Å; M164-C194 HydrophobicContact CG-CB 4.25Å; M164-C194 HydrophobicContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-SG 3.63Å; N190-C194 PolarHBondContact O-N 2.99Å; V191-C194 PolarHBondContact O-N 3.41Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.75Å; C194-A197 PolarHBondContact O-N 3.11Å; C194-V198 WeakPolarHBondContact O-CG2 3.35Å; C194-V198 PolarHBondContact O-N 2.96Å |
| 195 | L | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -49.2 | -48.1 | 174.3 | 172.1 | 64.1 | 0 | 0 | 0 | 111 | F31 M85 I137 M184 V191 A197 V198 I199 | F31-L195 HydrophobicContact CE1-CD1 3.8Å; F31-L195 HydrophobicContact CE1-CD2 3.97Å; F31-L195 HydrophobicContact CZ-CD1 4.09Å; F31-L195 HydrophobicContact CZ-CD2 4.06Å; M85-L195 HydrophobicContact CB-CD2 4.43Å; M85-L195 HydrophobicContact CE-CD2 3.77Å; M85-L195 HydrophobicContact CG-CD2 3.87Å; I137-L195 HydrophobicContact CG2-CD1 4.14Å; M184-L195 HydrophobicContact CE-CB 4.45Å; M184-L195 HydrophobicContact CE-CD1 3.99Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 PolarHBondContact O-N 2.89Å; L195-A197 PolarHBondContact O-N 2.95Å; L195-V198 PolarHBondContact O-N 3.11Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.09Å; L195-I199 HydrophobicContact CG-CD1 3.71Å; L195-I199 HydrophobicContact CG-CG1 4.44Å; L195-I199 WeakPolarHBondContact O-CD1 3.41Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.29Å |
| 196 | R | 92 | Very high | 89.5 | Confident | 97 Ų | 97 | 34.1 Ų | 34.1 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -53.6 | -49.4 | 175.5 | -171.7 | -168.7 | 153.8 | 150.8 | 2.8 | 112.4 | L78 V192 C194 V198 I199 E200 | L78-R196 HydrophobicContact CD1-CG 4.05Å; L78-R196 HydrophobicContact CD2-CG 3.86Å; L78-R196 HydrophobicContact CG-CG 4.07Å; V192-R196 PolarHBondContact O-N 2.91Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.75Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 2.76Å; R196-I199 PolarHBondContact O-N 3.25Å; R196-E200 IonicContact CZ-OE1 3.79Å; R196-E200 VanDerWaalsContact CZ-OE1 3.27Å; R196-E200 IonicContact NE-OE1 3.3Å; R196-E200 PolarHBondContact NE-OE1 3.13Å; R196-E200 IonicContact NH2-OE1 2.68Å; R196-E200 PolarHBondContact NH2-OE1 3.1Å; R196-E200 WeakPolarHBondContact O-CG 3.31Å; R196-E200 PolarHBondContact O-N 3.17Å |
| 197 | A | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.5 | -24.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R154 L158 Y162 Q193 C194 L195 A201 | R154-A197 PolarHBondContact NH2-O 2.8Å; L158-A197 HydrophobicContact CD2-CB 3.63Å; Y162-A197 HydrophobicContact CE2-CB 3.86Å; Q193-A197 PolarHBondContact O-N 3.15Å; C194-A197 PolarHBondContact O-N 3.11Å; L195-A197 PolarHBondContact O-N 2.95Å; A197-A201 PolarHBondContact O-N 3.46Å |
| 198 | V | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.8 | -44.7 | 170.2 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I137 V147 L158 M184 C194 L195 R196 A201 V202 | I137-V198 HydrophobicContact CD1-CG1 3.56Å; V147-V198 HydrophobicContact CG1-CG1 3.93Å; V147-V198 HydrophobicContact CG1-CG2 4.18Å; V147-V198 HydrophobicContact CG2-CG1 3.99Å; L158-V198 HydrophobicContact CD1-CG2 3.69Å; M184-V198 HydrophobicContact SD-CG2 4.03Å; C194-V198 WeakPolarHBondContact O-CG2 3.35Å; C194-V198 PolarHBondContact O-N 2.96Å; L195-V198 PolarHBondContact O-N 3.11Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 2.76Å; V198-A201 CarbonylContact O-C 3.42Å; V198-A201 WeakPolarHBondContact O-CA 3.21Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.3Å; V198-A201 VanDerWaalsContact O-N 3.08Å; V198-V202 HydrophobicContact CG1-CG2 4.48Å; V198-V202 WeakPolarHBondContact O-CG2 3.31Å; V198-V202 PolarHBondContact O-N 3.3Å |
| 199 | I | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 175 | -64.9 | 158.5 | 0 | 0 | 0 | 110.8 | V27 I29 L78 L195 R196 A201 V202 E203 | V27-I199 HydrophobicContact CG1-CG2 3.52Å; I29-I199 HydrophobicContact CD1-CB 4.39Å; I29-I199 HydrophobicContact CD1-CD1 3.33Å; I29-I199 HydrophobicContact CD1-CG1 3.51Å; I29-I199 HydrophobicContact CD1-CG2 3.94Å; I29-I199 HydrophobicContact CG1-CD1 4.32Å; I29-I199 HydrophobicContact CG1-CG1 3.99Å; I29-I199 HydrophobicContact CG1-CG2 4.39Å; L78-I199 HydrophobicContact CD1-CB 4.02Å; L78-I199 HydrophobicContact CD1-CD1 3.72Å; L78-I199 HydrophobicContact CD1-CG1 4.5Å; L78-I199 HydrophobicContact CD1-CG2 3.75Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.09Å; L195-I199 HydrophobicContact CG-CD1 3.71Å; L195-I199 HydrophobicContact CG-CG1 4.44Å; L195-I199 WeakPolarHBondContact O-CD1 3.41Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.29Å; R196-I199 PolarHBondContact O-N 3.25Å; I199-A201 PolarHBondContact O-N 3.08Å; I199-A201 VanDerWaalsContact O-N 3.17Å; I199-V202 PolarHBondContact O-N 3.5Å; I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 PolarHBondContact O-N 3.16Å |
| 200 | E | 89.7 | Confident | 88 | Confident | 60 Ų | 60 | 50 Ų | 50 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -32 | 175.2 | -72.1 | 169.9 | 179.4 | 0 | 0 | 111.9 | L24 L78 R196 S204 | L24-E200 HydrophobicContact CD1-CG 4.16Å; L78-E200 HydrophobicContact CD2-CG 3.92Å; R196-E200 IonicContact CZ-OE1 3.79Å; R196-E200 VanDerWaalsContact CZ-OE1 3.27Å; R196-E200 IonicContact NE-OE1 3.3Å; R196-E200 PolarHBondContact NE-OE1 3.13Å; R196-E200 IonicContact NH2-OE1 2.68Å; R196-E200 PolarHBondContact NH2-OE1 3.1Å; R196-E200 WeakPolarHBondContact O-CG 3.31Å; R196-E200 PolarHBondContact O-N 3.17Å; E200-S204 WeakPolarHBondContact O-CB 3.14Å; E200-S204 PolarHBondContact O-N 2.9Å |
| 201 | A | 90.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.2 | -35.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S146 A197 V198 I199 S204 | S146-A201 WeakPolarHBondContact CB-O 3.27Å; S146-A201 PolarHBondContact OG-O 3.39Å; A197-A201 PolarHBondContact O-N 3.46Å; V198-A201 CarbonylContact O-C 3.42Å; V198-A201 WeakPolarHBondContact O-CA 3.21Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.3Å; V198-A201 VanDerWaalsContact O-N 3.08Å; I199-A201 PolarHBondContact O-N 3.08Å; I199-A201 VanDerWaalsContact O-N 3.17Å; A201-S204 PolarHBondContact O-OG 3.04Å |
| 202 | V | 89.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 59 Ų | 59 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -49 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | V139 Q143 V147 V198 I199 S204 A205 | V139-V202 HydrophobicContact CG1-CG2 3.86Å; V139-V202 HydrophobicContact CG2-CG2 4.09Å; Q143-V202 HydrophobicContact CB-CG1 4.49Å; Q143-V202 PolarHBondContact NE2-O 3.23Å; V147-V202 HydrophobicContact CG2-CG2 3.75Å; V198-V202 HydrophobicContact CG1-CG2 4.48Å; V198-V202 WeakPolarHBondContact O-CG2 3.31Å; V198-V202 PolarHBondContact O-N 3.3Å; I199-V202 PolarHBondContact O-N 3.5Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-A205 CarbonylContact O-C 3.4Å; V202-A205 PolarHBondContact O-N 2.97Å |
| 203 | E | 86.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.8 | -29.6 | 179.3 | -65.1 | -64.5 | 169.4 | 0 | 0 | 112.6 | V22 L24 V27 I199 A205 | V22-E203 HydrophobicContact CG1-CB 3.78Å; L24-E203 HydrophobicContact CD2-CB 4.28Å; L24-E203 HydrophobicContact CD2-CG 4.31Å; V27-E203 HydrophobicContact CG1-CG 4.32Å; V27-E203 HydrophobicContact CG2-CG 4.29Å; I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 PolarHBondContact O-N 3.16Å; E203-A205 PolarHBondContact O-N 3.41Å |
| 204 | S | 85.6 | Confident | 87 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -24.1 | 172.2 | 79 | 0 | 0 | 0 | 0 | 113.7 | E200 A201 V202 | E200-S204 WeakPolarHBondContact O-CB 3.14Å; E200-S204 PolarHBondContact O-N 2.9Å; A201-S204 PolarHBondContact O-OG 3.04Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 2.96Å |
| 205 | A | 84.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 62 Ų | 62 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -120.7 | 90 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q143 V202 E203 | Q143-A205 VanDerWaalsContact CG-O 3.29Å; Q143-A205 WeakPolarHBondContact CG-O 3.4Å; Q143-A205 PolarHBondContact NE2-O 3.33Å; V202-A205 CarbonylContact O-C 3.4Å; V202-A205 PolarHBondContact O-N 2.97Å; E203-A205 PolarHBondContact O-N 3.41Å |
| 206 | P | 79.7 | Confident | 86.3 | Confident | 55 Ų | 55 | 62 Ų | 62 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | trans | -59 | 147.4 | 178.1 | 24.8 | -34.8 | 0 | 0 | 0 | 111.2 | ||||
| 207 | P | 81.4 | Confident | 85.8 | Confident | 57 Ų | 57 | 60.3 Ų | 60.3 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | trans | -60.9 | 143.4 | -179.6 | 26.2 | -34.1 | 0 | 0 | 0 | 111.1 | H140 S142 Q143 | H140-P207 HydrophobicContact CB-CB 4.27Å; S142-P207 WeakPolarHBondContact OG-CA 3.48Å; Q143-P207 HydrophobicContact CG-CB 4.34Å | ||
| 208 | R | 79.6 | Confident | 85.3 | Confident | 198 Ų | 198 | 63 Ų | 63 | 75% | 0.747 | 33% | 0.331 | S | S | * | . | trans | -130.3 | 126 | -178 | -61.6 | 178.9 | -178 | 165.7 | -0.8 | 109.7 | H140 S142 | H140-R208 PolarHBondContact CE1-O 2.86Å; S142-R208 PolarHBondContact OG-N 2.89Å | ||
| 209 | G | 80.3 | Confident | 84.7 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 79% | 0.794 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 113.4 | -160.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 210 | R | 81.6 | Confident | 84.1 | Confident | 196 Ų | 196 | 67.5 Ų | 67.5 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | trans | -65.2 | 138.8 | 165.4 | -70.5 | 172.4 | 169 | -100.9 | -3.8 | 108.5 | H140 E212 | H140-R210 PolarHBondContact NE2-O 3.42Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 2.81Å | ||
| 211 | R | 85.6 | Confident | 83.5 | Confident | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | trans | -118.1 | 105.1 | 170.7 | 178.2 | 178.4 | 168.1 | -174.9 | -8.2 | 108.5 | D213 | R211-D213 WeakPolarHBondContact CG-OD1 3.28Å; R211-D213 IonicContact CZ-OD1 2.69Å; R211-D213 IonicContact CZ-OD2 3.46Å; R211-D213 IonicContact NE-OD1 3.51Å; R211-D213 PolarHBondContact NE-OD1 3.06Å; R211-D213 IonicContact NE-OD2 2.74Å; R211-D213 PolarHBondContact NE-OD2 3.27Å; R211-D213 IonicContact NH2-OD1 3.48Å; R211-D213 PolarHBondContact NH2-OD1 2.9Å; R211-D213 IonicContact NH2-OD2 3.67Å; R211-D213 PolarHBondContact NH2-OD2 3.36Å | ||
| 212 | E | 86.6 | Confident | 82.8 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | trans | -115 | 100 | 172.3 | -67.9 | 161.4 | -153.3 | 0 | 0 | 105.6 | T178 R210 | T178-E212 HydrophobicContact CG2-CB 4.07Å; T178-E212 PolarHBondContact N-O 2.88Å; T178-E212 PolarHBondContact OG1-N 3Å; T178-E212 PolarHBondContact OG1-O 3.21Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 2.81Å | ||
| 213 | D | 87.1 | Confident | 82.4 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | trans | -72.8 | 136.6 | -175.4 | -87 | 2.4 | 0 | 0 | 0 | 110.6 | R30 D179 R211 | R30-D213 IonicContact CZ-OD1 3.72Å; R30-D213 VanDerWaalsContact CZ-OD1 3.29Å; R30-D213 IonicContact CZ-OD2 2.78Å; R30-D213 IonicContact NE-OD1 2.92Å; R30-D213 IonicContact NE-OD2 3.67Å; R30-D213 PolarHBondContact NE-OD2 3.02Å; R30-D213 IonicContact NH1-OD1 2.87Å; R30-D213 VanDerWaalsContact NH2-CG 3.31Å; R30-D213 IonicContact NH2-OD1 2.99Å; R30-D213 PolarHBondContact NH2-OD1 3.38Å; R30-D213 IonicContact NH2-OD2 3.29Å; D179-D213 WeakPolarHBondContact OD2-CA 3.46Å; R211-D213 WeakPolarHBondContact CG-OD1 3.28Å; R211-D213 IonicContact CZ-OD1 2.69Å; R211-D213 IonicContact CZ-OD2 3.46Å; R211-D213 IonicContact NE-OD1 3.51Å; R211-D213 PolarHBondContact NE-OD1 3.06Å; R211-D213 IonicContact NE-OD2 2.74Å; R211-D213 PolarHBondContact NE-OD2 3.27Å; R211-D213 IonicContact NH2-OD1 3.48Å; R211-D213 PolarHBondContact NH2-OD1 2.9Å; R211-D213 IonicContact NH2-OD2 3.67Å; R211-D213 PolarHBondContact NH2-OD2 3.36Å | ||
| 214 | Y | 87.5 | Confident | 82.3 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | trans | -58.6 | 143.5 | 179.5 | -171.7 | -130.8 | 0 | 0 | 0 | 114 | L32 E69 I71 L138 A174 P175 S177 D179 N218 F219 Y227 | L32-Y214 HydrophobicContact CD1-CD1 4.31Å; L32-Y214 HydrophobicContact CD1-CE1 3.96Å; E69-Y214 WeakPolarHBondContact OE1-CE1 3.34Å; E69-Y214 PolarHBondContact OE1-OH 3.22Å; I71-Y214 VanDerWaalsContact CD1-C 3.44Å; I71-Y214 HydrophobicContact CD1-CD1 3.7Å; I71-Y214 HydrophobicContact CD1-CE1 4.48Å; I71-Y214 HydrophobicContact CD1-CG 4.13Å; I71-Y214 WeakPolarHBondContact CD1-O 3.39Å; I71-Y214 HydrophobicContact CG1-CD1 4.37Å; L138-Y214 HydrophobicContact CD1-CD1 4Å; L138-Y214 HydrophobicContact CD2-CD1 3.86Å; L138-Y214 HydrophobicContact CD2-CG 4.37Å; A174-Y214 HydrophobicContact CB-CD1 3.98Å; A174-Y214 HydrophobicContact CB-CD2 3.48Å; A174-Y214 VanDerWaalsContact CB-CD2 3.48Å; A174-Y214 HydrophobicContact CB-CE1 4.22Å; A174-Y214 HydrophobicContact CB-CE2 3.76Å; A174-Y214 HydrophobicContact CB-CG 3.61Å; P175-Y214 HydrophobicContact CG-CE2 3.9Å; S177-Y214 VanDerWaalsContact OG-CA 3.23Å; S177-Y214 WeakPolarHBondContact OG-CA 3.34Å; D179-Y214 PolarHBondContact OD2-N 3.04Å; Y214-N218 HydrophobicContact CE2-CB 4.25Å; Y214-F219 WeakPolarHBondContact OH-CA 3.44Å; Y214-Y227 PolarHBondContact OH-OH 3.07Å | ||
| 215 | D | 85.8 | Confident | 82 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | trans | -123.3 | 126.2 | 168.1 | -175.7 | -6.8 | 0 | 0 | 0 | 108.8 | A217 N218 | D215-A217 PolarHBondContact O-N 3.07Å; D215-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 WeakPolarHBondContact OD1-CB 3.27Å; D215-A217 PolarHBondContact OD1-N 2.94Å; D215-N218 WeakPolarHBondContact O-CB 3.39Å; D215-N218 PolarHBondContact O-N 3.3Å | ||
| 216 | A | 84.3 | Confident | 82 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -66.9 | -4.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | E69 I71 | E69-A216 HydrophobicContact CG-CB 4.2Å; E69-A216 WeakPolarHBondContact O-CB 3.41Å; I71-A216 HydrophobicContact CG1-CB 4.23Å |
| 217 | A | 82 | Confident | 82.3 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -64.3 | -28.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D215 F219 | D215-A217 PolarHBondContact O-N 3.07Å; D215-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 WeakPolarHBondContact OD1-CB 3.27Å; D215-A217 PolarHBondContact OD1-N 2.94Å; A217-F219 VanDerWaalsContact C-N 3.34Å; A217-F219 PolarHBondContact O-N 2.92Å |
| 218 | N | 80.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -88.6 | 9.2 | -174 | -64 | -29.7 | 0 | 0 | 0 | 114.4 | P175 L176 Y214 D215 S220 | P175-N218 WeakPolarHBondContact CB-O 3.49Å; P175-N218 WeakPolarHBondContact CG-O 3.47Å; L176-N218 HydrophobicContact CD1-CB 4.37Å; Y214-N218 HydrophobicContact CE2-CB 4.25Å; D215-N218 WeakPolarHBondContact O-CB 3.39Å; D215-N218 PolarHBondContact O-N 3.3Å; N218-S220 PolarHBondContact O-N 3.37Å |
| 219 | F | 80.3 | Confident | 82.8 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | trans | -56.3 | 133.4 | -171.6 | 80.5 | -80 | 0 | 0 | 0 | 112.9 | G67 P68 E69 Y214 A217 E221 | G67-F219 VanDerWaalsContact CA-CE1 3.43Å; P68-F219 VanDerWaalsContact CD-CD2 3.44Å; P68-F219 HydrophobicContact CG-CD2 3.8Å; P68-F219 HydrophobicContact CG-CE2 3.88Å; P68-F219 HydrophobicContact CG-CG 4.43Å; E69-F219 HydrophobicContact CG-CB 4.28Å; Y214-F219 WeakPolarHBondContact OH-CA 3.44Å; A217-F219 VanDerWaalsContact C-N 3.34Å; A217-F219 PolarHBondContact O-N 2.92Å; F219-E221 HydrophobicContact CE2-CB 4.33Å | ||
| 220 | S | 78.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | trans | -103.8 | 115.4 | 168.2 | 171.4 | 0 | 0 | 0 | 0 | 108.8 | N218 G222 D223 A224 | N218-S220 PolarHBondContact O-N 3.37Å; S220-G222 VanDerWaalsContact C-N 3.32Å; S220-G222 PolarHBondContact O-N 2.95Å; S220-D223 WeakPolarHBondContact CB-OD2 3.22Å; S220-D223 PolarHBondContact O-N 3.13Å; S220-D223 PolarHBondContact OG-N 3.04Å; S220-D223 PolarHBondContact OG-OD2 2.7Å; S220-A224 PolarHBondContact O-N 3.48Å | ||
| 221 | E | 77.8 | Confident | 83.1 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31.6 | 179.3 | -175.8 | 153.6 | -117.4 | 0 | 0 | 112.7 | F219 L231 S232 A235 | F219-E221 HydrophobicContact CE2-CB 4.33Å; E221-L231 HydrophobicContact CG-CD2 4.38Å; E221-S232 WeakPolarHBondContact OE1-CB 3.43Å; E221-S232 PolarHBondContact OE1-N 2.75Å; E221-S232 PolarHBondContact OE1-OG 2.79Å; E221-A235 HydrophobicContact CG-CB 3.86Å; E221-A235 WeakPolarHBondContact OE1-CB 3.27Å |
| 222 | G | 75.4 | Confident | 82.8 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S220 | S220-G222 VanDerWaalsContact C-N 3.32Å; S220-G222 PolarHBondContact O-N 2.95Å |
| 223 | D | 81.2 | Confident | 82.4 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5.3 | -176.7 | -60.5 | -68.6 | 0 | 0 | 0 | 114.2 | M172 S220 L225 N226 Y227 | M172-D223 HydrophobicContact CE-CB 3.89Å; S220-D223 WeakPolarHBondContact CB-OD2 3.22Å; S220-D223 PolarHBondContact O-N 3.13Å; S220-D223 PolarHBondContact OG-N 3.04Å; S220-D223 PolarHBondContact OG-OD2 2.7Å; D223-L225 PolarHBondContact O-N 2.92Å; D223-L225 VanDerWaalsContact O-N 3.15Å; D223-N226 CarbonylContact O-C 3.6Å; D223-N226 WeakPolarHBondContact O-CA 3.37Å; D223-N226 WeakPolarHBondContact O-CB 3.45Å; D223-N226 PolarHBondContact O-N 3.3Å; D223-Y227 VanDerWaalsContact C-CD1 3.46Å; D223-Y227 HydrophobicContact CB-CD1 3.87Å; D223-Y227 HydrophobicContact CB-CE1 4.18Å; D223-Y227 WeakPolarHBondContact O-CD1 3.18Å; D223-Y227 PolarHBondContact O-N 2.98Å |
| 224 | A | 82.4 | Confident | 82 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.2 | -41.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S220 N226 Y227 G228 G229 L231 | S220-A224 PolarHBondContact O-N 3.48Å; A224-N226 PolarHBondContact O-N 3.5Å; A224-Y227 VanDerWaalsContact CA-CE1 3.47Å; A224-Y227 HydrophobicContact CB-CE1 4.36Å; A224-G228 CarbonylContact O-C 3.56Å; A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.41Å; A224-G228 PolarHBondContact O-N 3.13Å; A224-G229 PolarHBondContact O-N 3.37Å; A224-L231 HydrophobicContact CB-CD2 3.68Å; A224-L231 HydrophobicContact CB-CG 4.38Å |
| 225 | L | 79.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -17.9 | 175.4 | -66.4 | -170.3 | 0 | 0 | 0 | 114.8 | P103 M107 Y170 D223 L231 L239 L245 | P103-L225 HydrophobicContact CB-CD1 3.8Å; P103-L225 HydrophobicContact CB-CD2 3.8Å; P103-L225 HydrophobicContact CB-CG 4.42Å; P103-L225 HydrophobicContact CG-CD1 4.45Å; P103-L225 HydrophobicContact CG-CD2 4.02Å; M107-L225 HydrophobicContact CE-CD1 3.88Å; Y170-L225 VanDerWaalsContact CE1-O 3.31Å; Y170-L225 WeakPolarHBondContact CE1-O 3Å; D223-L225 PolarHBondContact O-N 2.92Å; D223-L225 VanDerWaalsContact O-N 3.15Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; L225-L231 HydrophobicContact CD2-CG 4.44Å; L225-L231 HydrophobicContact CG-CD1 4.41Å; L225-L239 HydrophobicContact CD1-CD1 3.74Å; L225-L239 HydrophobicContact CG-CD1 4.43Å; L225-L245 HydrophobicContact CD1-CD1 4Å; L225-L245 HydrophobicContact CG-CD1 4.04Å |
| 226 | N | 84.3 | Confident | 81 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -101 | -32.9 | -173.9 | -63.1 | -28.6 | 0 | 0 | 0 | 113 | Y170 M172 D223 A224 | Y170-N226 VanDerWaalsContact CD1-O 3.27Å; Y170-N226 WeakPolarHBondContact CD1-O 3.37Å; M172-N226 HydrophobicContact CE-CB 3.45Å; M172-N226 VanDerWaalsContact CE-CB 3.45Å; M172-N226 HydrophobicContact CG-CB 4.3Å; M172-N226 HydrophobicContact SD-CB 3.74Å; D223-N226 CarbonylContact O-C 3.6Å; D223-N226 WeakPolarHBondContact O-CA 3.37Å; D223-N226 WeakPolarHBondContact O-CB 3.45Å; D223-N226 PolarHBondContact O-N 3.3Å; A224-N226 PolarHBondContact O-N 3.5Å |
| 227 | Y | 87.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -96.4 | -18 | 170.8 | 74.2 | -99.5 | 0 | 0 | 0 | 114 | E69 Y170 L173 A174 P175 V181 Y214 D223 A224 G229 | E69-Y227 PolarHBondContact OE1-OH 2.91Å; Y170-Y227 VanDerWaalsContact CB-O 3.26Å; Y170-Y227 WeakPolarHBondContact CB-O 3.32Å; L173-Y227 WeakPolarHBondContact O-CB 3.27Å; A174-Y227 HydrophobicContact CB-CD2 4.18Å; P175-Y227 HydrophobicContact CG-CD1 4.43Å; P175-Y227 HydrophobicContact CG-CE1 4.02Å; V181-Y227 VanDerWaalsContact CB-O 3.28Å; V181-Y227 WeakPolarHBondContact CB-O 3.46Å; V181-Y227 HydrophobicContact CG2-CD2 4.34Å; V181-Y227 WeakPolarHBondContact CG2-O 3.21Å; Y214-Y227 PolarHBondContact OH-OH 3.07Å; D223-Y227 VanDerWaalsContact C-CD1 3.46Å; D223-Y227 HydrophobicContact CB-CD1 3.87Å; D223-Y227 HydrophobicContact CB-CE1 4.18Å; D223-Y227 WeakPolarHBondContact O-CD1 3.18Å; D223-Y227 PolarHBondContact O-N 2.98Å; A224-Y227 VanDerWaalsContact CA-CE1 3.47Å; A224-Y227 HydrophobicContact CB-CE1 4.36Å; Y227-G229 VanDerWaalsContact CE2-N 3.33Å |
| 228 | G | 84.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | 17.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R136 A224 | R136-G228 VanDerWaalsContact CD-O 3.26Å; R136-G228 WeakPolarHBondContact CD-O 3.31Å; R136-G228 PolarHBondContact NH1-O 3.21Å; A224-G228 CarbonylContact O-C 3.56Å; A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.41Å; A224-G228 PolarHBondContact O-N 3.13Å |
| 229 | G | 85.7 | Confident | 80 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -70 | 167.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | E69 R136 A224 Y227 | E69-G229 WeakPolarHBondContact OE2-CA 3.35Å; R136-G229 PolarHBondContact NH1-O 3.04Å; A224-G229 PolarHBondContact O-N 3.37Å; Y227-G229 VanDerWaalsContact CE2-N 3.33Å |
| 230 | W | 86.2 | Confident | 79.5 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -89.8 | 136.6 | 172.2 | -59.5 | 87.9 | 0 | 0 | 0 | 110.9 | L32 P34 P68 E69 M96 D134 R136 | L32-W230 PolarHBondContact O-NE1 3.33Å; P34-W230 HydrophobicContact CB-CB 4.32Å; P34-W230 HydrophobicContact CB-CD2 4.05Å; P34-W230 HydrophobicContact CB-CE3 4.26Å; P34-W230 HydrophobicContact CB-CG 4.06Å; P34-W230 HydrophobicContact CG-CD2 4.15Å; P34-W230 HydrophobicContact CG-CE3 4.26Å; P68-W230 VanDerWaalsContact CG-O 3.25Å; P68-W230 WeakPolarHBondContact CG-O 3.48Å; E69-W230 HydrophobicContact CB-CB 4.14Å; E69-W230 HydrophobicContact CB-CG 4.49Å; E69-W230 PolarHBondContact OE2-N 3.1Å; M96-W230 HydrophobicContact CB-CH2 4.19Å; M96-W230 HydrophobicContact CG-CH2 4.32Å; D134-W230 HydrophobicContact CB-CH2 4.09Å; R136-W230 HydrophobicContact CG-CZ2 4.03Å |
| 231 | L | 82.4 | Confident | 79.1 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 155.7 | 174.8 | -66 | 172.1 | 0 | 0 | 0 | 111.3 | E221 A224 L225 A235 A236 L239 L245 | E221-L231 HydrophobicContact CG-CD2 4.38Å; A224-L231 HydrophobicContact CB-CD2 3.68Å; A224-L231 HydrophobicContact CB-CG 4.38Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; L225-L231 HydrophobicContact CD2-CG 4.44Å; L225-L231 HydrophobicContact CG-CD1 4.41Å; L231-A235 HydrophobicContact CB-CB 4.13Å; L231-A235 HydrophobicContact CD2-CB 4.13Å; L231-A236 HydrophobicContact CB-CB 4.32Å; L231-L239 HydrophobicContact CD1-CD1 3.42Å; L231-L239 VanDerWaalsContact CD1-CD1 3.42Å; L231-L245 HydrophobicContact CD1-CD2 4.33Å; L231-L245 HydrophobicContact CD2-CD1 4.06Å; L231-L245 HydrophobicContact CD2-CD2 3.75Å |
| 232 | S | 80.1 | Confident | 78.7 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 164 | 161.2 | 67.2 | 0 | 0 | 0 | 0 | 111 | E221 E234 A235 A236 | E221-S232 WeakPolarHBondContact OE1-CB 3.43Å; E221-S232 PolarHBondContact OE1-N 2.75Å; E221-S232 PolarHBondContact OE1-OG 2.79Å; S232-E234 PolarHBondContact O-N 3.25Å; S232-A235 PolarHBondContact O-N 3.2Å; S232-A235 VanDerWaalsContact OG-CB 3.26Å; S232-A235 WeakPolarHBondContact OG-CB 3.37Å; S232-A235 PolarHBondContact OG-N 3.16Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 3.04Å |
| 233 | R | 77.3 | Confident | 78.3 | Confident | 180 Ų | 180 | 49.8 Ų | 49.8 | 68% | 0.679 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.4 | -32.4 | 175 | 175.8 | 176.5 | -180 | -108.1 | 3 | 110.4 | A237 | R233-A237 WeakPolarHBondContact O-CB 3.42Å; R233-A237 PolarHBondContact O-N 3.19Å |
| 234 | E | 79 | Confident | 77.7 | Confident | 120 Ų | 120 | 51.2 Ų | 51.2 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.4 | -45.9 | -178.6 | -64.7 | 57.6 | -129.8 | 0 | 0 | 110.1 | S232 A237 A238 | S232-E234 PolarHBondContact O-N 3.25Å; E234-A237 PolarHBondContact O-N 3.46Å; E234-A238 VanDerWaalsContact O-CB 3.31Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.74Å |
| 235 | A | 78 | Confident | 76.8 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E221 L231 S232 A238 L239 L245 | E221-A235 HydrophobicContact CG-CB 3.86Å; E221-A235 WeakPolarHBondContact OE1-CB 3.27Å; L231-A235 HydrophobicContact CB-CB 4.13Å; L231-A235 HydrophobicContact CD2-CB 4.13Å; S232-A235 PolarHBondContact O-N 3.2Å; S232-A235 VanDerWaalsContact OG-CB 3.26Å; S232-A235 WeakPolarHBondContact OG-CB 3.37Å; S232-A235 PolarHBondContact OG-N 3.16Å; A235-A238 PolarHBondContact O-N 2.68Å; A235-L239 PolarHBondContact O-N 2.91Å; A235-L245 HydrophobicContact CB-CD2 3.69Å |
| 236 | A | 75.3 | Confident | 75.6 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I106 L231 S232 A240 | I106-A236 WeakPolarHBondContact CG2-O 3.33Å; L231-A236 HydrophobicContact CB-CB 4.32Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 3.04Å; A236-A240 WeakPolarHBondContact O-CB 3.23Å; A236-A240 PolarHBondContact O-N 2.78Å |
| 237 | A | 75.6 | Confident | 74.1 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R233 E234 A240 Q241 | R233-A237 WeakPolarHBondContact O-CB 3.42Å; R233-A237 PolarHBondContact O-N 3.19Å; E234-A237 PolarHBondContact O-N 3.46Å; A237-A240 PolarHBondContact O-N 3.09Å; A237-Q241 WeakPolarHBondContact O-CG 3.31Å; A237-Q241 PolarHBondContact O-N 2.9Å |
| 238 | A | 76.5 | Confident | 72 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E234 A235 A240 Q241 G242 M243 | E234-A238 VanDerWaalsContact O-CB 3.31Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.74Å; A235-A238 PolarHBondContact O-N 2.68Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.36Å; A238-Q241 CarbonylContact O-C 3.34Å; A238-Q241 WeakPolarHBondContact O-CA 3.14Å; A238-Q241 PolarHBondContact O-N 2.97Å; A238-G242 PolarHBondContact O-N 3.31Å; A238-M243 HydrophobicContact CB-CB 4.09Å; A238-M243 WeakPolarHBondContact O-CB 3.48Å; A238-M243 PolarHBondContact O-N 3.25Å |
| 239 | L | 72.6 | Confident | 70.2 | Confident | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 173.4 | -77.1 | 179 | 0 | 0 | 0 | 112.9 | I106 M107 L225 L231 A235 Q241 G242 L245 | I106-L239 HydrophobicContact CG2-CB 3.71Å; M107-L239 HydrophobicContact CE-CD2 3.81Å; M107-L239 HydrophobicContact CG-CD2 4.44Å; L225-L239 HydrophobicContact CD1-CD1 3.74Å; L225-L239 HydrophobicContact CG-CD1 4.43Å; L231-L239 HydrophobicContact CD1-CD1 3.42Å; L231-L239 VanDerWaalsContact CD1-CD1 3.42Å; A235-L239 PolarHBondContact O-N 2.91Å; L239-Q241 PolarHBondContact O-N 3.48Å; L239-G242 PolarHBondContact O-N 2.69Å; L239-L245 HydrophobicContact CD1-CD1 4.25Å; L239-L245 HydrophobicContact CD1-CD2 3.92Å; L239-L245 HydrophobicContact CD1-CG 4.15Å; L239-L245 HydrophobicContact CD2-CD2 4.28Å; L239-L245 HydrophobicContact CD2-CG 3.94Å; L239-L245 HydrophobicContact CG-CD2 3.8Å; L239-L245 HydrophobicContact CG-CG 4.01Å |
| 240 | A | 70.1 | Confident | 68 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -19.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I106 A236 A237 A238 | I106-A240 HydrophobicContact CG2-CB 4.12Å; I106-A240 WeakPolarHBondContact O-CA 3.44Å; A236-A240 WeakPolarHBondContact O-CB 3.23Å; A236-A240 PolarHBondContact O-N 2.78Å; A237-A240 PolarHBondContact O-N 3.09Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.36Å |
| 241 | Q | 70.7 | Confident | 65.9 | Low | 145 Ų | 145 | 74.7 Ų | 74.7 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.5 | 171 | -66 | 172.7 | 5.7 | 0 | 0 | 112.6 | A237 A238 L239 M243 | A237-Q241 WeakPolarHBondContact O-CG 3.31Å; A237-Q241 PolarHBondContact O-N 2.9Å; A238-Q241 CarbonylContact O-C 3.34Å; A238-Q241 WeakPolarHBondContact O-CA 3.14Å; A238-Q241 PolarHBondContact O-N 2.97Å; L239-Q241 PolarHBondContact O-N 3.48Å; Q241-M243 HydrophobicContact CB-CG 4.28Å; Q241-M243 PolarHBondContact O-N 2.71Å |
| 242 | G | 68.8 | Low | 64.5 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 69% | 0.691 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 10.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A238 L239 | A238-G242 PolarHBondContact O-N 3.31Å; L239-G242 PolarHBondContact O-N 2.69Å |
| 243 | M | 66.5 | Low | 63.1 | Low | 109 Ų | 109 | 83 Ų | 83 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -79 | 142.6 | 177.4 | -61.9 | -70.5 | 175.7 | 0 | 0 | 110.5 | A238 Q241 | A238-M243 HydrophobicContact CB-CB 4.09Å; A238-M243 WeakPolarHBondContact O-CB 3.48Å; A238-M243 PolarHBondContact O-N 3.25Å; Q241-M243 HydrophobicContact CB-CG 4.28Å; Q241-M243 PolarHBondContact O-N 2.71Å |
| 244 | P | 68.2 | Low | 61.7 | Low | 99 Ų | 99 | 82.5 Ų | 82.5 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 146.1 | 176.9 | 28.4 | -35 | 0 | 0 | 0 | 111.5 | R246 | P244-R246 PolarHBondContact O-N 3.33Š|
| 245 | L | 64 | Low | 60.1 | Low | 39 Ų | 39 | 80.1 Ų | 80.1 | 20% | 0.204 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 122 | 168.9 | -70.1 | 173.6 | 0 | 0 | 0 | 109.4 | L225 L231 A235 L239 | L225-L245 HydrophobicContact CD1-CD1 4Å; L225-L245 HydrophobicContact CG-CD1 4.04Å; L231-L245 HydrophobicContact CD1-CD2 4.33Å; L231-L245 HydrophobicContact CD2-CD1 4.06Å; L231-L245 HydrophobicContact CD2-CD2 3.75Å; A235-L245 HydrophobicContact CB-CD2 3.69Å; L239-L245 HydrophobicContact CD1-CD1 4.25Å; L239-L245 HydrophobicContact CD1-CD2 3.92Å; L239-L245 HydrophobicContact CD1-CG 4.15Å; L239-L245 HydrophobicContact CD2-CD2 4.28Å; L239-L245 HydrophobicContact CD2-CG 3.94Å; L239-L245 HydrophobicContact CG-CD2 3.8Å; L239-L245 HydrophobicContact CG-CG 4.01Å |
| 246 | R | 55.3 | Low | 58.5 | Low | 110 Ų | 110 | 90.3 Ų | 90.3 | 42% | 0.415 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -88 | 116.5 | -177 | -64.8 | -161.4 | 92 | 167.8 | 4.5 | 109.9 | P244 C250 M251 | P244-R246 PolarHBondContact O-N 3.33Å; R246-C250 VanDerWaalsContact CB-SG 3.58Å; R246-C250 PolarHBondContact NE-O 3.19Å; R246-C250 PolarHBondContact NE-SG 2.75Å; R246-C250 PolarHBondContact NH1-O 2.89Å; R246-C250 VanDerWaalsContact NH2-C 3.34Å; R246-C250 PolarHBondContact NH2-O 3.23Å; R246-M251 VanDerWaalsContact NH1-C 3.29Å; R246-M251 PolarHBondContact NH1-O 3.08Å; R246-M251 PolarHBondContact NH2-O 3.46Å |
| 247 | G | 51.5 | Low | 57.3 | Low | 38 Ų | 38 | 95.6 Ų | 95.6 | 39% | 0.392 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 153.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G249 C250 | G247-G249 PolarHBondContact O-N 3.44Å; G247-C250 PolarHBondContact O-SG 2.79Å |
| 248 | P | 44.6 | Very low | 55.9 | Low | 136 Ų | 136 | 101.4 Ų | 101.4 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 128.9 | 177 | -26.5 | 34.8 | 0 | 0 | 0 | 112 | ||
| 249 | G | 45.2 | Very low | 54.3 | Low | 83 Ų | 83 | 103.3 Ų | 103.3 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.5 | -0.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | G247 | G247-G249 PolarHBondContact O-N 3.44Š|
| 250 | C | 40.8 | Very low | 52.7 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 41% | 0.405 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -100.4 | 120.8 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | R246 G247 | R246-C250 VanDerWaalsContact CB-SG 3.58Å; R246-C250 PolarHBondContact NE-O 3.19Å; R246-C250 PolarHBondContact NE-SG 2.75Å; R246-C250 PolarHBondContact NH1-O 2.89Å; R246-C250 VanDerWaalsContact NH2-C 3.34Å; R246-C250 PolarHBondContact NH2-O 3.23Å; G247-C250 PolarHBondContact O-SG 2.79Å |
| 251 | M | 41.6 | Very low | 51.4 | Low | 161 Ų | 161 | 109.4 Ų | 109.4 | 79% | 0.793 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.1 | -164.4 | -62.2 | 177.2 | 175.9 | 0 | 0 | 114.4 | R246 | R246-M251 VanDerWaalsContact NH1-C 3.29Å; R246-M251 PolarHBondContact NH1-O 3.08Å; R246-M251 PolarHBondContact NH2-O 3.46Å |
| 252 | P | 52.6 | Low | 50.4 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.5 | 177.9 | 24.6 | -34.7 | 0 | 0 | 0 | 111.5 | M254 | P252-M254 PolarHBondContact O-N 3.01Š|
| 253 | P | 51.3 | Low | 49.5 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 116.5 | 179.3 | 25.9 | -33.2 | 0 | 0 | 0 | 109.5 | G255 | P253-G255 PolarHBondContact O-N 3Š|
| 254 | M | 48.4 | Very low | 48.5 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.2 | 170.8 | -98.3 | -68 | -157.2 | 0 | 0 | 108.9 | P252 Y256 | P252-M254 PolarHBondContact O-N 3.01Å; M254-Y256 PolarHBondContact O-N 2.65Å |
| 255 | G | 45 | Very low | 47.4 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -69.5 | 93 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P253 N257 | P253-G255 PolarHBondContact O-N 3Å; G255-N257 PolarHBondContact O-N 3.11Å | ||
| 256 | Y | 44.4 | Very low | 46.6 | Very low | 221 Ų | 221 | 121.2 Ų | 121.2 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 74.3 | 168.4 | -86.8 | -86 | 0 | 0 | 0 | 110.7 | M254 | M254-Y256 PolarHBondContact O-N 2.65Š| ||
| 257 | N | 50 | Low | 46.1 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -101.9 | 145.5 | 154.9 | -172.2 | 15.2 | 0 | 0 | 0 | 107.7 | G255 | G255-N257 PolarHBondContact O-N 3.11Š| ||
| 258 | M | 46.9 | Very low | 45.8 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 65.4 | 140.6 | -157.9 | -47.6 | -62.6 | -172.6 | 0 | 0 | 113.9 | ||||
| 259 | G | 42.5 | Very low | 46 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | cis | 161.3 | 104.5 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 260 | G | 37.9 | Very low | 46.1 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | 80.1 | 118.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y262 | G260-Y262 PolarHBondContact O-N 2.84Š| ||
| 261 | P | 43.1 | Very low | 46.8 | Very low | 141 Ų | 141 | 131 Ų | 131 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -84.9 | 105.4 | 168.4 | 32.3 | -29.8 | 0 | 0 | 0 | 110.5 | ||||
| 262 | Y | 51.1 | Low | 47.2 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -148.6 | 145.9 | 173.6 | 56.9 | -90.2 | 0 | 0 | 0 | 113.7 | G260 | G260-Y262 PolarHBondContact O-N 2.84Š| ||
| 263 | M | 48.9 | Very low | 46.9 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | 50.5 | 81.7 | 164.8 | -49.9 | -47 | -179.7 | 0 | 0 | 118.5 | G265 | M263-G265 PolarHBondContact O-N 3.48Å; M263-G265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | M | 46.3 | Very low | 46.6 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 100% | 1.005 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 82 | 141.7 | -92.3 | -72.2 | -176 | 0 | 0 | 108.7 | ||||
| 265 | G | 44.1 | Very low | 46.5 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -84.6 | 133 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M263 | M263-G265 PolarHBondContact O-N 3.48Å; M263-G265 VanDerWaalsContact O-N 3.08Å | ||
| 266 | G | 47.3 | Very low | 46.7 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -94.5 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 267 | G | 44.5 | Very low | 46.9 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 94.4 | 134.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 268 | D | 45.3 | Very low | 47.4 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | cis | -139.6 | 170.7 | 32.2 | -170.5 | -147.3 | 0 | 0 | 0 | 113.9 | ||||
| 269 | M | 49 | Very low | 47.5 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -103.9 | 115.1 | 177 | -71.4 | -175.3 | 173 | 0 | 0 | 112.4 | ||||
| 270 | G | 47.6 | Very low | 47.6 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -125 | 135.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 271 | P | 55.9 | Low | 47.9 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | trans | -97.9 | 174.6 | -158.2 | 38.1 | -38.4 | 0 | 0 | 0 | 117.1 | ||||
| 272 | M | 49.9 | Very low | 48 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 97% | 0.97 | 84% | 0.839 | S | S | * | * | trans | -67.6 | 150.9 | -174.4 | -64.9 | 176.2 | 164.9 | 0 | 0 | 116.7 | ||||
| 273 | G | 45.6 | Very low | 47.9 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | 180 | 136.1 | 150 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | G | 45.1 | Very low | 47.7 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | cis | -174.9 | 170 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 275 | G | 45.4 | Very low | 48 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | trans | 94.9 | 98.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 276 | M | 50.4 | Low | 48.1 | Very low | 205 Ų | 205 | 117.6 Ų | 117.6 | 100% | 1.01 | 85% | 0.853 | S | S | * | * | 67.8 | 99.1 | 60.2 | -64.9 | -175.7 | 135.3 | 0 | 0 | 114.8 | |||||
| 277 | G | 48 | Very low | 47.9 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | trans | -164.8 | 109.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 278 | P | 60.2 | Low | 48 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | trans | -105.5 | -178.4 | -158.2 | 39.8 | -37.5 | 0 | 0 | 0 | 115.8 | ||||
| 279 | M | 48.4 | Very low | 48.3 | Very low | 191 Ų | 191 | 119.1 Ų | 119.1 | 94% | 0.941 | 86% | 0.855 | S | S | * | * | trans | 76.5 | 133.3 | -179.8 | -49.2 | -177.7 | -178.2 | 0 | 0 | 114.1 | ||||
| 280 | G | 45 | Very low | 48.2 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | cis | 147.8 | 148.5 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 281 | G | 45.7 | Very low | 48.7 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | cis | -178.2 | 166.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 282 | G | 45 | Very low | 48.5 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 86% | 0.855 | S | S | * | * | trans | 88.3 | 102.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 283 | M | 48.8 | Very low | 48.2 | Very low | 203 Ų | 203 | 113.8 Ų | 113.8 | 100% | 1 | 85% | 0.85 | S | S | * | * | cis | 82.3 | 107.2 | 15.7 | -145.2 | 174.1 | -174.9 | 0 | 0 | 114.3 | ||||
| 284 | G | 44.7 | Very low | 48.3 | Very low | 79 Ų | 79 | 114 Ų | 114 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | trans | 168.6 | 85.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 285 | P | 52.7 | Low | 48.4 | Very low | 132 Ų | 132 | 113.9 Ų | 113.9 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | trans | -109.2 | 155.5 | -179.2 | 38.6 | -31.1 | 0 | 0 | 0 | 115 | ||||
| 286 | G | 45.2 | Very low | 48.8 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | 147.1 | 150.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | G | 44 | Very low | 49.1 | Very low | 80 Ų | 80 | 113.6 Ų | 113.6 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | cis | 177.9 | 167.1 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 288 | G | 45.3 | Very low | 49.1 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | trans | 90.7 | 117.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 289 | M | 51.5 | Low | 48.3 | Very low | 204 Ų | 204 | 115 Ų | 115 | 100% | 1.005 | 86% | 0.86 | S | S | * | * | cis | 76.2 | 118.1 | 46 | -63.6 | -174.6 | 149 | 0 | 0 | 114.7 | ||||
| 290 | G | 47.5 | Very low | 48.2 | Very low | 79 Ų | 79 | 109.8 Ų | 109.8 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | trans | 168.2 | 76 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 291 | P | 59 | Low | 48.1 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 86% | 0.861 | S | S | * | * | trans | -97.6 | 149 | 172.9 | 36.9 | -31.2 | 0 | 0 | 0 | 112.6 | ||||
| 292 | M | 51.7 | Low | 48.1 | Very low | 199 Ų | 199 | 118.2 Ų | 118.2 | 98% | 0.98 | 86% | 0.861 | S | S | * | * | trans | -178.1 | 150.1 | 147.7 | -107.3 | 176 | -161.4 | 0 | 0 | 113.5 | ||||
| 293 | G | 44 | Very low | 48.1 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 87% | 0.869 | S | S | * | * | trans | 79.6 | 125.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 294 | G | 45.8 | Very low | 47.9 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 89% | 0.887 | 86% | 0.86 | S | S | * | * | cis | 125.4 | 115.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 295 | G | 48.8 | Very low | 48.3 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 86% | 0.862 | S | S | * | * | trans | 134.7 | 103.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 296 | P | 53.1 | Low | 47.9 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 87% | 0.865 | S | S | * | * | trans | -104.5 | 152.7 | 170.4 | 37.6 | -30.8 | 0 | 0 | 0 | 113.1 | ||||
| 297 | V | 56.2 | Low | 48.1 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 92% | 0.915 | 87% | 0.865 | S | S | * | * | trans | -147.7 | 121.8 | 167.4 | -99 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | P | 49.7 | Very low | 48.1 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 85% | 0.851 | 86% | 0.864 | S | S | * | * | trans | -116.8 | 157.4 | 175.5 | 39.2 | -30.3 | 0 | 0 | 0 | 114.3 | ||||
| 299 | G | 42.6 | Very low | 48 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 89% | 0.887 | 87% | 0.868 | S | S | * | * | trans | 108.7 | 135.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 300 | G | 45.9 | Very low | 47.7 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 85% | 0.845 | 86% | 0.856 | S | S | * | * | trans | 172 | 66.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 301 | R | 43.8 | Very low | 47.8 | Very low | 261 Ų | 261 | 129 Ų | 129 | 99% | 0.985 | 86% | 0.857 | S | S | * | * | trans | -89.4 | 124.3 | 171.1 | -81.4 | -178.6 | 170.4 | 173.3 | -2.4 | 110.7 | ||||
| 302 | G | 44.9 | Very low | 47.4 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 87% | 0.865 | S | S | * | * | trans | -120.5 | 156.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 303 | R | 45.3 | Very low | 46.8 | Very low | 255 Ų | 255 | 126.6 Ų | 126.6 | 96% | 0.962 | 86% | 0.857 | S | S | * | * | trans | -142.1 | 108.7 | -160.6 | -148.4 | -174.3 | -170.9 | -164.5 | 3.4 | 114.9 | ||||
| 304 | G | 43.8 | Very low | 46.7 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | trans | 65.3 | -166.5 | 158 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 305 | P | 54.5 | Low | 46.6 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 86% | 0.864 | 85% | 0.853 | S | S | * | * | cis | -130.9 | -173.3 | -3.1 | 42.4 | -26.3 | 0 | 0 | 0 | 115.7 | ||||
| 306 | R | 44.2 | Very low | 46.4 | Very low | 245 Ų | 245 | 130.9 Ų | 130.9 | 93% | 0.925 | 85% | 0.851 | S | S | * | * | trans | -60.4 | 148.5 | 178.1 | -67.6 | 165.8 | 160 | 171.5 | -8.6 | 115.8 | ||||
| 307 | S | 48.1 | Very low | 46.5 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | -163.6 | 131.8 | 120 | -157.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 308 | G | 44.1 | Very low | 46 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | 97 | 138.5 | 78.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 309 | G | 44.8 | Very low | 45.9 | Very low | 81 Ų | 81 | 128.4 Ų | 128.4 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | cis | 176.6 | 153.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 310 | G | 43.8 | Very low | 46.1 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | 79 | 169.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 311 | M | 50.6 | Low | 45.9 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | cis | -178.8 | 133.7 | -41.6 | -115.7 | 168.7 | -176 | 0 | 0 | 109.4 | ||||
| 312 | M | 49.6 | Very low | 46.2 | Very low | 185 Ų | 185 | 129 Ų | 129 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | 62.3 | 158.7 | 169 | -53 | 179.2 | -175.5 | 0 | 0 | 116.3 | ||||
| 313 | G | 40.2 | Very low | 46.2 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | cis | 148.1 | 129.4 | -14.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 314 | G | 40.4 | Very low | 46 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 110.4 | 123.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 315 | N | 43.8 | Very low | 46.3 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | 58.1 | 140.8 | 147.1 | -63.3 | 1.7 | 0 | 0 | 0 | 123.4 | ||||
| 316 | A | 44.3 | Very low | 46 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -116.6 | -165.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 317 | P | 56.5 | Low | 46 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | cis | -129.2 | -139.6 | -9.1 | 40.4 | -20.1 | 0 | 0 | 0 | 111.3 | ||||
| 318 | L | 45.1 | Very low | 46.3 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 78.9 | 152.8 | 176.9 | -53.4 | 167 | 0 | 0 | 0 | 115.3 | ||||
| 319 | A | 47.9 | Very low | 46.5 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | cis | -167.3 | 156.9 | -29 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 320 | Q | 46.4 | Very low | 46.9 | Very low | 203 Ų | 203 | 128 Ų | 128 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | 62.7 | 157.6 | 172.9 | -60.4 | 172.7 | -15.8 | 0 | 0 | 116 | ||||
| 321 | G | 41.9 | Very low | 47.6 | Very low | 58 Ų | 58 | 131 Ų | 131 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | cis | 147.8 | 77.2 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 322 | Q | 50 | Low | 48 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -168.4 | 123.8 | 158.2 | -106.7 | 151.9 | 96.5 | 0 | 0 | 109.5 | ||||
| 323 | R | 45.1 | Very low | 48.4 | Very low | 243 Ų | 243 | 124 Ų | 124 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | 64.9 | 123.9 | 94.4 | -75.1 | -168.7 | 171.6 | -170.5 | -2.3 | 115.2 | |||||
| 324 | G | 40.4 | Very low | 49.8 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 141 | 82.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 325 | M | 50.5 | Low | 51.5 | Low | 164 Ų | 164 | 129.2 Ų | 129.2 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 55.8 | 131.3 | 135.4 | -64.5 | -172.8 | 173.9 | 0 | 0 | 123.2 | ||||
| 326 | M | 48.7 | Very low | 52.6 | Low | 184 Ų | 184 | 126.5 Ų | 126.5 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | 68.9 | 140 | 147.8 | -60.8 | 166.7 | -169.5 | 0 | 0 | 119 | ||||
| 327 | G | 44.4 | Very low | 53.6 | Low | 80 Ų | 80 | 128.6 Ų | 128.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 145.8 | 82.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 328 | S | 53.9 | Low | 53.6 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -51.9 | 133.6 | 175 | 49.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 329 | S | 48.4 | Very low | 53.7 | Low | 123 Ų | 123 | 124.1 Ų | 124.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 179.7 | 151.9 | 130.5 | 35.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 330 | G | 53.5 | Low | 53.7 | Low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -114.2 | -149.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 331 | P | 57.8 | Low | 53.6 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | cis | -116.3 | -148.4 | -3.7 | 44.5 | -30.4 | 0 | 0 | 0 | 110 | ||||
| 332 | A | 59.4 | Low | 53.7 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | cis | -154.1 | 155.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 333 | P | 57.5 | Low | 53.7 | Low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93 | 155.6 | 165.9 | 36.4 | -32.4 | 0 | 0 | 0 | 113 | ||
| 334 | V | 69.6 | Low | 53.9 | Low | 142 Ų | 142 | 127.7 Ų | 127.7 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 140.6 | 178.6 | -69.6 | 0 | 0 | 0 | 0 | 113 | ||
| 335 | P | 75.7 | Confident | 54.2 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 156.5 | 175.6 | 36.4 | -34.2 | 0 | 0 | 0 | 113.5 | ||
| 336 | P | 67.5 | Low | 54.8 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 159.9 | 175.1 | 34.7 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 337 | P | 64.8 | Low | 55 | Low | 135 Ų | 135 | 123 Ų | 123 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 143.4 | -178.5 | 32 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 338 | A | 57.5 | Low | 54.9 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -104.6 | 150.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 339 | G | 46 | Very low | 54.5 | Low | 81 Ų | 81 | 121.1 Ų | 121.1 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 156.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 340 | R | 49.5 | Very low | 54.3 | Low | 257 Ų | 257 | 125.5 Ų | 125.5 | 97% | 0.97 | 82% | 0.818 | S | S | * | * | trans | -106.8 | 125.5 | 170.3 | -93 | -174.6 | 165.6 | -152.9 | -2.6 | 110.7 | ||||
| 341 | N | 43.7 | Very low | 53.8 | Low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -151.8 | 110.3 | 157.6 | -172.2 | 11.3 | 0 | 0 | 0 | 110.2 | ||||
| 342 | S | 44.7 | Very low | 53.2 | Low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -164.8 | 102.9 | 172.1 | -74.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 343 | S | 48.2 | Very low | 52.8 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | 76 | 95.3 | 82.8 | 67 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 344 | M | 50.2 | Low | 52.4 | Low | 203 Ų | 203 | 126.5 Ų | 126.5 | 100% | 1 | 82% | 0.821 | S | S | * | * | trans | -142.1 | 152.1 | 157.5 | -87.1 | -174.8 | 171.6 | 0 | 0 | 109.1 | ||||
| 345 | G | 47 | Very low | 51.3 | Low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | -107.4 | -179.9 | -157.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 346 | P | 62 | Low | 49.8 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -88.2 | -167.7 | -178.6 | 43.2 | -40.3 | 0 | 0 | 0 | 110.8 | ||||
| 347 | P | 53.4 | Low | 48.7 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | cis | -147.3 | 176.7 | 14.3 | 44.6 | -24.9 | 0 | 0 | 0 | 119.7 | ||||
| 348 | G | 43.3 | Very low | 47.9 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 93.2 | 120.7 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 349 | G | 44 | Very low | 47.3 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -173.9 | 149.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 350 | Y | 44.4 | Very low | 47.2 | Very low | 215 Ų | 215 | 126.6 Ų | 126.6 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -137.8 | -179 | -169.4 | 50.8 | -102.2 | 0 | 0 | 0 | 111.8 | ||||
| 351 | S | 43.5 | Very low | 47 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 72 | 153.4 | -175.4 | 75.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 352 | S | 45.6 | Very low | 46.9 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | cis | 164.2 | 143.1 | -37.6 | -92.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 353 | S | 51.2 | Low | 46.8 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 110.2 | 138.1 | 155.1 | -43.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 354 | A | 48.1 | Very low | 46.9 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | 65.7 | 148.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 355 | D | 48.3 | Very low | 46.6 | Very low | 167 Ų | 167 | 123 Ų | 123 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | cis | -164.2 | 163 | -23.6 | -176 | 37.3 | 0 | 0 | 0 | 109.9 | ||||
| 356 | G | 42.9 | Very low | 46.5 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | 84.2 | 140.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 357 | G | 44 | Very low | 45.7 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | cis | 96.2 | 121.2 | 17.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 358 | Y | 48.2 | Very low | 45.1 | Very low | 240 Ų | 240 | 121.4 Ų | 121.4 | 94% | 0.941 | 83% | 0.827 | S | S | * | * | cis | -137.3 | 174.3 | 18.9 | -60.6 | -103.6 | 0 | 0 | 0 | 108.5 | ||||
| 359 | G | 45.4 | Very low | 45.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | cis | 121.7 | 96.8 | 8.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 360 | G | 43.1 | Very low | 45.6 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -174.5 | 141.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 361 | Q | 46.5 | Very low | 45.8 | Very low | 208 Ų | 208 | 121.9 Ų | 121.9 | 97% | 0.972 | 81% | 0.811 | S | S | * | * | trans | -125 | 159.4 | -173.2 | -68.1 | 179 | -12.4 | 0 | 0 | 112.3 | ||||
| 362 | G | 41.1 | Very low | 45.9 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 148 | 119.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 363 | G | 41.9 | Very low | 45.8 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | 113 | 83.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 364 | Y | 50.4 | Low | 45.5 | Very low | 221 Ų | 221 | 123 Ų | 123 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -145.5 | 103.8 | 166.6 | 56.7 | -90.3 | 0 | 0 | 0 | 111.2 | ||||
| 365 | D | 44.6 | Very low | 45.2 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -89.9 | 132.8 | 157.5 | -76.8 | -67.4 | 0 | 0 | 0 | 108.2 | ||||
| 366 | G | 43.8 | Very low | 44.9 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -126.6 | 100.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 367 | S | 45.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -101 | 146.2 | -176.2 | 58 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 368 | G | 42.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 125.1 | 144.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 369 | G | 43.1 | Very low | 44.6 | Very low | 54 Ų | 54 | 124.9 Ų | 124.9 | 56% | 0.557 | 81% | 0.807 | S | S | * | * | cis | 146.7 | 156.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 370 | F | 53.8 | Low | 44.7 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 68.9 | 148 | 170.7 | -37.2 | -71.4 | 0 | 0 | 0 | 114.8 | ||||
| 371 | D | 49.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | cis | -154.6 | -169.4 | -16.7 | -136.5 | -76.8 | 0 | 0 | 0 | 112.8 | ||||
| 372 | N | 45.9 | Very low | 44.6 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -78.9 | 173.4 | -179.3 | -64.1 | -93.5 | 0 | 0 | 0 | 114.6 | ||||
| 373 | G | 42.8 | Very low | 44.7 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 123.1 | 103.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 374 | V | 44.4 | Very low | 44.7 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | cis | 71.4 | 87.1 | 45.8 | -169.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 375 | Y | 42.3 | Very low | 44.2 | Very low | 233 Ų | 233 | 125.7 Ų | 125.7 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -144.8 | 132.2 | 149 | -109.1 | -106.4 | 0 | 0 | 0 | 104.2 | ||||
| 376 | G | 40.9 | Very low | 44.3 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | cis | 85.4 | 85.1 | 22.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 377 | G | 40.4 | Very low | 44.3 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | 93.7 | 109.6 | 43.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 378 | I | 47.7 | Very low | 44.5 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -166.4 | 128.5 | 169.5 | -107.1 | 156.3 | 0 | 0 | 0 | 108.8 | ||||
| 379 | D | 42.2 | Very low | 45 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -71.5 | 154.3 | 165.1 | -65.8 | -97.1 | 0 | 0 | 0 | 111 | ||||
| 380 | Q | 46.3 | Very low | 45 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -176.7 | 146.6 | 110.3 | -100.7 | 162.1 | 65.7 | 0 | 0 | 115.2 | |||||
| 381 | T | 44.1 | Very low | 44.7 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -60.5 | 137.1 | 156.5 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 382 | G | 43.3 | Very low | 44.5 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -163.1 | 126.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 383 | Q | 43.6 | Very low | 44.4 | Very low | 207 Ų | 207 | 125.7 Ų | 125.7 | 97% | 0.967 | 82% | 0.819 | S | S | * | * | trans | -84.8 | 148.6 | 162.2 | -61.2 | 174.2 | 4.7 | 0 | 0 | 108.9 | ||||
| 384 | G | 41.5 | Very low | 44.6 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 163.4 | 103.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 385 | G | 40.6 | Very low | 44.6 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -85.9 | 143.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 386 | F | 47 | Very low | 44.9 | Very low | 208 Ų | 208 | 121 Ų | 121 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | trans | -130.8 | 133.1 | 167.8 | -108.3 | -86.3 | 0 | 0 | 0 | 111.2 | ||||
| 387 | S | 44.5 | Very low | 45.3 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 143.7 | 177.4 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 388 | G | 47.8 | Very low | 45.9 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -149.7 | 113.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 389 | P | 53.5 | Low | 46 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -104.9 | 152.4 | -168 | 37.6 | -34.1 | 0 | 0 | 0 | 115.3 | ||||
| 390 | G | 44 | Very low | 46 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | 81.6 | 94.1 | 122.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 391 | Y | 47.8 | Very low | 45.9 | Very low | 235 Ų | 235 | 117 Ų | 117 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -136.6 | 133.7 | 144.3 | -38.2 | -83.9 | 0 | 0 | 0 | 107.5 | ||||
| 392 | G | 43.1 | Very low | 46.1 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | cis | 124.3 | 74.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 393 | G | 44.1 | Very low | 46.1 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -173.4 | 90.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 394 | S | 47.3 | Very low | 46.4 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -122.2 | 131.8 | -179.3 | 56 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 395 | G | 44.4 | Very low | 46.8 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 171.9 | 114.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 396 | N | 48.6 | Very low | 47.1 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | 100.4 | 102.5 | 64 | -119.4 | 23.7 | 0 | 0 | 0 | 112.8 | |||||
| 397 | M | 50.2 | Low | 47.1 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | 37.9 | 116.1 | 136.6 | -53.7 | -178 | -171 | 0 | 0 | 120.5 | ||||
| 398 | A | 51.9 | Low | 47.1 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -154 | 120.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 399 | P | 50.5 | Low | 46.9 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -117 | 148.7 | 170 | 37.2 | -27.4 | 0 | 0 | 0 | 113.8 | ||||
| 400 | G | 42.7 | Very low | 46.7 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 93.2 | 150.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 401 | G | 43.1 | Very low | 46.9 | Very low | 51 Ų | 51 | 121.8 Ų | 121.8 | 53% | 0.526 | 81% | 0.809 | S | S | . | * | cis | -179.4 | -176.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 402 | Y | 49.2 | Very low | 46.7 | Very low | 242 Ų | 242 | 122.4 Ų | 122.4 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | 55.7 | 143.6 | 173.3 | 65.5 | -96.8 | 0 | 0 | 0 | 118.5 | ||||
| 403 | G | 42.9 | Very low | 46.7 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 171.2 | 161 | -9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 404 | S | 50.5 | Low | 46.8 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | 65 | 154.2 | 172.7 | -70.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 405 | S | 49.9 | Very low | 46.6 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -170.9 | 156.9 | -14.3 | 47 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 406 | G | 45.4 | Very low | 46.8 | Very low | 60 Ų | 60 | 124.8 Ų | 124.8 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | cis | 169.8 | -174.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 407 | Y | 48.2 | Very low | 46.8 | Very low | 243 Ų | 243 | 126.6 Ų | 126.6 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | 65.1 | 138.1 | 171.8 | -54.5 | -86.4 | 0 | 0 | 0 | 117.8 | ||||
| 408 | G | 43.3 | Very low | 46.6 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | cis | -165.4 | 151.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 409 | G | 43.8 | Very low | 46 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | 77.9 | 124.9 | 60.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 410 | S | 49.4 | Very low | 45.6 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | cis | -164.1 | 177.9 | -8.8 | 47.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 411 | Q | 48.2 | Very low | 45.7 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | -123.7 | -173.6 | 10 | -97.2 | 90.9 | -30.5 | 0 | 0 | 109.9 | ||||
| 412 | R | 43.4 | Very low | 45.9 | Very low | 248 Ų | 248 | 128.1 Ų | 128.1 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | cis | 87.9 | 119.8 | 19.7 | -83.3 | -165.8 | -179.8 | -141.4 | 0.2 | 119.3 | ||||
| 413 | G | 43.5 | Very low | 45.7 | Very low | 72 Ų | 72 | 120.4 Ų | 120.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 133.3 | 141.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 414 | S | 46.9 | Very low | 45.8 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | -174.7 | 125.8 | -63.7 | -88.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 415 | G | 43.4 | Very low | 45.5 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 75 | 170.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 416 | D | 47.1 | Very low | 44.9 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | cis | -168.3 | 173.3 | -19.1 | -128.4 | -55.9 | 0 | 0 | 0 | 112.4 | ||||
| 417 | M | 49.3 | Very low | 44.8 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 89% | 0.892 | 82% | 0.824 | S | S | * | * | trans | 72.7 | 114.8 | 163.3 | -51.5 | -150 | -178.6 | 0 | 0 | 122.8 | ||||
| 418 | A | 45.5 | Very low | 44.5 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -46.4 | 157 | 165.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 419 | G | 40.6 | Very low | 44.6 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | 106.4 | 141.5 | 125.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 420 | G | 42.2 | Very low | 44.4 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 154.6 | 99.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 421 | Q | 44.4 | Very low | 44.1 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -71.3 | 174.6 | -174.2 | -54.6 | 168.7 | 15.1 | 0 | 0 | 116.1 | ||||
| 422 | S | 46.6 | Very low | 44 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 84.7 | 155.9 | 152.2 | 84.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 423 | A | 45.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | cis | -170.2 | 147.6 | -30.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 424 | S | 44.9 | Very low | 43.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | 74.2 | 156.3 | 144.2 | 80.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 425 | R | 42.8 | Very low | 43.8 | Very low | 246 Ų | 246 | 128.4 Ų | 128.4 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | 69.5 | 139.1 | 172.6 | -56.9 | 179 | 175 | -168.7 | -3 | 115.9 | ||||
| 426 | G | 39.2 | Very low | 43.7 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | cis | 137.9 | 122.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 427 | G | 43.4 | Very low | 43.4 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -173.7 | 124.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 428 | T | 40.3 | Very low | 42.9 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -133.5 | 122.6 | -174.3 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 429 | Y | 45.1 | Very low | 42.6 | Very low | 239 Ų | 239 | 126.6 Ų | 126.6 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -167.8 | 146.4 | 158.2 | -93.2 | -75.5 | 0 | 0 | 0 | 106.5 | ||||
| 430 | G | 41.1 | Very low | 42.9 | Very low | 58 Ų | 58 | 130.8 Ų | 130.8 | 60% | 0.598 | 82% | 0.822 | S | S | * | * | cis | 130.7 | 93.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 431 | G | 42.2 | Very low | 43.2 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | -169.6 | 61.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 432 | Y | 47.4 | Very low | 42.9 | Very low | 222 Ų | 222 | 128.1 Ų | 128.1 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | 0.9 | 109.7 | 151.7 | 29.1 | -97.2 | 0 | 0 | 0 | 120.7 | ||||
| 433 | G | 38.5 | Very low | 42.6 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | 62.2 | 130 | 114.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 434 | S | 46.3 | Very low | 42.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | -161.3 | 164.4 | 123.1 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 435 | M | 44.3 | Very low | 42.2 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 94% | 0.941 | 83% | 0.833 | S | S | * | * | trans | -101.8 | 154.6 | 179.4 | -64 | 172 | 168.2 | 0 | 0 | 111.6 | ||||
| 436 | G | 40 | Very low | 42.5 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 177 | 122.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 437 | S | 42.3 | Very low | 42.6 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -56.5 | 158.8 | 161.4 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 438 | G | 38.7 | Very low | 42.6 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | cis | 156.9 | 172.7 | 5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 439 | E | 39.3 | Very low | 42.8 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | 61.4 | 161.9 | 175.8 | -64.7 | -177.9 | 95.8 | 0 | 0 | 116.9 | ||||
| 440 | H | 45.3 | Very low | 42.9 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | cis | -163.2 | -179.7 | -44.7 | -155.3 | 58.5 | 0 | 0 | 0 | 107.7 | ||||
| 441 | V | 50 | Low | 43.3 | Very low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | trans | 71.7 | 143.6 | 169.6 | -167.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 442 | G | 38.5 | Very low | 43.8 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | 139.9 | 26.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 443 | G | 38.5 | Very low | 43.5 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 86% | 0.863 | S | S | * | * | trans | -67.9 | 146.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 444 | K | 43.3 | Very low | 43.7 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 91% | 0.909 | 86% | 0.864 | S | S | * | * | trans | -132 | 113.4 | 160.2 | -78.7 | -173 | 176.5 | 179 | 0 | 109.9 | ||||
| 445 | A | 40.6 | Very low | 43.6 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 86% | 0.86 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 118.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 446 | S | 48.3 | Very low | 43.6 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 119.1 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 447 | Q | 41.4 | Very low | 43.8 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.8 | 174.8 | -64.8 | 174 | -13.8 | 0 | 0 | 111.3 | ||
| 448 | W | 44.2 | Very low | 43.9 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.913 | 86% | 0.858 | S | S | * | * | trans | -133.3 | 93.2 | 161.4 | -81.4 | 93.6 | 0 | 0 | 0 | 109.3 | ||||
| 449 | Y | 42.8 | Very low | 44.2 | Very low | 227 Ų | 227 | 154.1 Ų | 154.1 | 89% | 0.89 | 87% | 0.871 | S | S | * | * | trans | -79.6 | 139.6 | 161.2 | -107.3 | -96 | 0 | 0 | 0 | 108.9 | ||||
| 450 | G | 48.8 | Very low | 44.5 | Very low | 73 Ų | 73 | 151 Ų | 151 | 75% | 0.753 | 87% | 0.867 | S | S | * | * | trans | -152 | 70.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 451 | G | 49.2 | Very low | 44.5 | Very low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 87% | 0.873 | S | S | * | * | trans | -96.5 | 135.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 452 | W | 51.9 | Low | 44 | Very low | 249 Ų | 249 | 150.2 Ų | 150.2 | 94% | 0.943 | 88% | 0.875 | S | S | * | * | trans | -126.4 | 145 | 170.7 | -83.7 | 52.9 | 0 | 0 | 0 | 108.2 | ||||
| 453 | S | 40.8 | Very low | 44.5 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 100% | 1.336 | 89% | 0.887 | S | S | * | * | trans | -96.3 | 0 | 164.8 | -56.4 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 453 of 453 residues in 98 ms
(Link to these results)