| 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 | 46.2 | Very low | 54.3 | Low | 235 Ų | 235 | 161.6 Ų | 161.6 | 100% | 1.158 | 78% | 0.777 | S | S | * | * | 0 | 7.2 | 0 | -160.2 | 169 | 174.1 | 0 | 0 | 113.7 | |||||
| 2 | F | 45.8 | Very low | 54.7 | Low | 195 Ų | 195 | 165.9 Ų | 165.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -106.9 | -4 | -177.4 | -92.3 | -86 | 0 | 0 | 0 | 115.1 | ||||
| 3 | F | 48.6 | Very low | 55.3 | Low | 212 Ų | 212 | 156.9 Ų | 156.9 | 93% | 0.93 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96.5 | 3.5 | -167.9 | -124.2 | -91 | 0 | 0 | 0 | 115.2 | ||
| 4 | F | 49.7 | Very low | 55.9 | Low | 200 Ų | 200 | 155.4 Ų | 155.4 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.8 | 4.8 | -165 | -134.2 | -92.1 | 0 | 0 | 0 | 116 | ||
| 5 | I | 59.8 | Low | 56.4 | Low | 93 Ų | 93 | 154.9 Ų | 154.9 | 48% | 0.477 | 74% | 0.741 | S | S | . | * | trans | -109.1 | -3.6 | -169.5 | -64.3 | -176.7 | 0 | 0 | 0 | 114.6 | N7 I13 F17 | I5-N7 PolarHBondContact O-N 3.12Å; I5-I13 HydrophobicContact CG2-CD1 4.33Å; I5-F17 HydrophobicContact CD1-CE2 4.31Å; I5-F17 HydrophobicContact CD1-CZ 3.91Å; I5-F17 HydrophobicContact CG2-CE2 3.85Å; I5-F17 HydrophobicContact CG2-CZ 4.19Å | ||
| 6 | F | 54.6 | Low | 57.2 | Low | 198 Ų | 198 | 155.6 Ų | 155.6 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | -83.7 | 68.4 | 173 | -91.9 | -85.4 | 0 | 0 | 0 | 111.6 | ||||
| 7 | N | 50.6 | Low | 57.8 | Low | 115 Ų | 115 | 151.9 Ų | 151.9 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | trans | -105.1 | 104.4 | 160.3 | -143.4 | -49.1 | 0 | 0 | 0 | 107 | I5 K9 | I5-N7 PolarHBondContact O-N 3.12Å; N7-K9 PolarHBondContact O-N 3.11Å | ||
| 8 | D | 59 | Low | 58.6 | Low | 160 Ų | 160 | 147.2 Ų | 147.2 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 16.3 | -163.7 | -159.5 | 34.8 | 0 | 0 | 0 | 115.6 | ||
| 9 | K | 58.4 | Low | 59.8 | Low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 4.6 | -168.1 | -71.2 | -170.5 | 177.6 | 177.6 | 0 | 116 | N7 P11 | N7-K9 PolarHBondContact O-N 3.11Å; K9-P11 WeakPolarHBondContact O-CD 3.31Å |
| 10 | N | 62 | Low | 60.9 | Low | 95 Ų | 95 | 143.4 Ų | 143.4 | 51% | 0.508 | 70% | 0.697 | S | S | . | * | trans | -110.5 | 103.9 | -179 | -67.4 | -43.8 | 0 | 0 | 0 | 111.6 | W12 I13 | N10-W12 PolarHBondContact O-N 3.42Å; N10-I13 HydrophobicContact CB-CD1 3.7Å; N10-I13 HydrophobicContact CB-CG1 3.92Å; N10-I13 PolarHBondContact O-N 3.37Å; N10-I13 VanDerWaalsContact O-N 3.14Å | ||
| 11 | P | 62.2 | Low | 62.1 | Low | 97 Ų | 97 | 141.2 Ų | 141.2 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -10.9 | -179.2 | 24.9 | -33 | 0 | 0 | 0 | 114.1 | K9 | K9-P11 WeakPolarHBondContact O-CD 3.31Š|
| 12 | W | 60 | Low | 64 | Low | 213 Ų | 213 | 136.3 Ų | 136.3 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -18.9 | 176.1 | -62 | 94.5 | 0 | 0 | 0 | 114 | N10 N14 N15 | N10-W12 PolarHBondContact O-N 3.42Å; W12-N14 VanDerWaalsContact C-N 3.31Å; W12-N14 PolarHBondContact O-N 2.9Å; W12-N15 PolarHBondContact O-N 2.87Å |
| 13 | I | 62.7 | Low | 66 | Low | 49 Ų | 49 | 132.2 Ų | 132.2 | 25% | 0.251 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.8 | -32.7 | -176 | -71.5 | 175.2 | 0 | 0 | 0 | 111.9 | I5 N10 N15 F16 F17 | I5-I13 HydrophobicContact CG2-CD1 4.33Å; N10-I13 HydrophobicContact CB-CD1 3.7Å; N10-I13 HydrophobicContact CB-CG1 3.92Å; N10-I13 PolarHBondContact O-N 3.37Å; N10-I13 VanDerWaalsContact O-N 3.14Å; I13-N15 PolarHBondContact O-N 2.7Å; I13-F16 PolarHBondContact O-N 3.18Å; I13-F16 VanDerWaalsContact O-N 3.16Å; I13-F17 HydrophobicContact CG2-CD2 3.97Å; I13-F17 PolarHBondContact O-N 3.2Å |
| 14 | N | 62.6 | Low | 67.7 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.7 | -18.5 | -178.1 | -64.5 | -29.8 | 0 | 0 | 0 | 113.8 | W12 | W12-N14 VanDerWaalsContact C-N 3.31Å; W12-N14 PolarHBondContact O-N 2.9Å |
| 15 | N | 64.6 | Low | 69.7 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -95.4 | -14.7 | 175.5 | -74.2 | -72.3 | 0 | 0 | 0 | 113.1 | W12 I13 | W12-N15 PolarHBondContact O-N 2.87Å; I13-N15 PolarHBondContact O-N 2.7Å |
| 16 | F | 68.8 | Low | 71.2 | Confident | 167 Ų | 167 | 123.2 Ų | 123.2 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -95.5 | -34.2 | -176.6 | -174.8 | -99.2 | 0 | 0 | 0 | 112.4 | I13 | I13-F16 PolarHBondContact O-N 3.18Å; I13-F16 VanDerWaalsContact O-N 3.16Å |
| 17 | F | 67.5 | Low | 72.9 | Confident | 93 Ų | 93 | 119.3 Ų | 119.3 | 41% | 0.408 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -91.4 | 133.8 | 177 | -81.3 | -88.6 | 0 | 0 | 0 | 110.9 | I5 I13 | I5-F17 HydrophobicContact CD1-CE2 4.31Å; I5-F17 HydrophobicContact CD1-CZ 3.91Å; I5-F17 HydrophobicContact CG2-CE2 3.85Å; I5-F17 HydrophobicContact CG2-CZ 4.19Å; I13-F17 HydrophobicContact CG2-CD2 3.97Å; I13-F17 PolarHBondContact O-N 3.2Å |
| 18 | P | 71.4 | Confident | 74.9 | Confident | 66 Ų | 66 | 119 Ų | 119 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 142.7 | 169.3 | 23 | -30.3 | 0 | 0 | 0 | 109.4 | L20 F22 | P18-L20 PolarHBondContact O-N 3.45Å; P18-F22 HydrophobicContact CB-CD1 3.65Å; P18-F22 HydrophobicContact CB-CE1 4.24Å; P18-F22 HydrophobicContact CB-CG 4.45Å; P18-F22 HydrophobicContact CG-CD1 4.41Å |
| 19 | P | 81.2 | Confident | 76.6 | Confident | 86 Ų | 86 | 114.5 Ų | 114.5 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.6 | -177.9 | 21.8 | -31.5 | 0 | 0 | 0 | 110.1 | P21 F22 F23 | P19-P21 VanDerWaalsContact C-N 3.28Å; P19-P21 HydrophobicContact CB-CG 4.19Å; P19-F22 HydrophobicContact CG-CB 4.08Å; P19-F22 WeakPolarHBondContact O-CA 3.26Å; P19-F22 WeakPolarHBondContact O-CB 3.25Å; P19-F22 PolarHBondContact O-N 3.15Å; P19-F23 PolarHBondContact O-N 3.37Å |
| 20 | L | 82.5 | Confident | 78.4 | Confident | 132 Ų | 132 | 112.1 Ų | 112.1 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -38.9 | -45.2 | 178.6 | -73.4 | 127.6 | 0 | 0 | 0 | 115.3 | P18 F22 F23 L24 | P18-L20 PolarHBondContact O-N 3.45Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 2.99Å; L20-F23 PolarHBondContact O-N 2.6Å; L20-L24 PolarHBondContact O-N 2.94Å |
| 21 | P | 85.1 | Confident | 79.9 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62 | -35.9 | 177.4 | 22.9 | -35.8 | 0 | 0 | 0 | 113.8 | P19 S25 | P19-P21 VanDerWaalsContact C-N 3.28Å; P19-P21 HydrophobicContact CB-CG 4.19Å; P21-S25 WeakPolarHBondContact O-CB 3.01Å; P21-S25 PolarHBondContact O-N 2.89Å |
| 22 | F | 86.9 | Confident | 81.5 | Confident | 132 Ų | 132 | 112.7 Ų | 112.7 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.5 | -44.2 | 176.9 | 177.6 | -91.5 | 0 | 0 | 0 | 111.2 | P18 P19 L20 S25 F26 | P18-F22 HydrophobicContact CB-CD1 3.65Å; P18-F22 HydrophobicContact CB-CE1 4.24Å; P18-F22 HydrophobicContact CB-CG 4.45Å; P18-F22 HydrophobicContact CG-CD1 4.41Å; P19-F22 HydrophobicContact CG-CB 4.08Å; P19-F22 WeakPolarHBondContact O-CA 3.26Å; P19-F22 WeakPolarHBondContact O-CB 3.25Å; P19-F22 PolarHBondContact O-N 3.15Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 2.99Å; F22-S25 PolarHBondContact O-N 3.34Å; F22-F26 WeakPolarHBondContact O-CB 2.81Å; F22-F26 PolarHBondContact O-N 3.09Å |
| 23 | F | 86.9 | Confident | 83.2 | Confident | 109 Ų | 109 | 106 Ų | 106 | 48% | 0.478 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 178.1 | 179.4 | -97.7 | 0 | 0 | 0 | 112.1 | P19 L20 F26 F27 | P19-F23 PolarHBondContact O-N 3.37Å; L20-F23 PolarHBondContact O-N 2.6Å; F23-F26 PolarHBondContact O-N 3.34Å; F23-F27 WeakPolarHBondContact O-CB 3.43Å; F23-F27 PolarHBondContact O-N 3.4Å |
| 24 | L | 84.4 | Confident | 84.8 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.2 | -44.9 | 175.8 | -104.8 | 123 | 0 | 0 | 0 | 112 | L20 F26 F27 L28 | L20-L24 PolarHBondContact O-N 2.94Å; L24-F26 PolarHBondContact O-N 3.45Å; L24-F27 PolarHBondContact O-N 2.86Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.03Å; L24-L28 PolarHBondContact O-N 3.28Å |
| 25 | S | 92.1 | Very high | 86.4 | Confident | 71 Ų | 71 | 107.6 Ų | 107.6 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 178.1 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | P21 F22 S29 | P21-S25 WeakPolarHBondContact O-CB 3.01Å; P21-S25 PolarHBondContact O-N 2.89Å; F22-S25 PolarHBondContact O-N 3.34Å; S25-S29 VanDerWaalsContact O-CB 3.22Å; S25-S29 WeakPolarHBondContact O-CB 3.27Å; S25-S29 PolarHBondContact O-N 3.46Å; S25-S29 PolarHBondContact O-OG 3.36Å |
| 26 | F | 91.1 | Very high | 87.9 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 176.5 | 173.8 | -100.5 | 0 | 0 | 0 | 111.7 | F22 F23 L24 S29 F30 | F22-F26 WeakPolarHBondContact O-CB 2.81Å; F22-F26 PolarHBondContact O-N 3.09Å; F23-F26 PolarHBondContact O-N 3.34Å; L24-F26 PolarHBondContact O-N 3.45Å; F26-S29 PolarHBondContact O-N 2.93Å; F26-F30 WeakPolarHBondContact O-CB 3.19Å; F26-F30 PolarHBondContact O-N 2.85Å |
| 27 | F | 91.4 | Very high | 89.2 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | -179.3 | -179.1 | -97.5 | 0 | 0 | 0 | 112 | F23 L24 F30 F31 | F23-F27 WeakPolarHBondContact O-CB 3.43Å; F23-F27 PolarHBondContact O-N 3.4Å; L24-F27 PolarHBondContact O-N 2.86Å; F27-F30 PolarHBondContact O-N 3.34Å; F27-F31 VanDerWaalsContact O-CB 3.26Å; F27-F31 WeakPolarHBondContact O-CB 3.41Å; F27-F31 PolarHBondContact O-N 3.32Å |
| 28 | L | 91.9 | Very high | 90.6 | Very high | 110 Ų | 110 | 101.9 Ų | 101.9 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 178.5 | -173 | 66.1 | 0 | 0 | 0 | 111.3 | L24 F30 F31 L32 | L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.03Å; L24-L28 PolarHBondContact O-N 3.28Å; L28-F30 PolarHBondContact O-N 3.27Å; L28-F31 PolarHBondContact O-N 2.94Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å |
| 29 | S | 95.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | S25 F26 S33 | S25-S29 VanDerWaalsContact O-CB 3.22Å; S25-S29 WeakPolarHBondContact O-CB 3.27Å; S25-S29 PolarHBondContact O-N 3.46Å; S25-S29 PolarHBondContact O-OG 3.36Å; F26-S29 PolarHBondContact O-N 2.93Å; S29-S33 WeakPolarHBondContact O-CB 3.37Å; S29-S33 PolarHBondContact O-N 3.48Å; S29-S33 PolarHBondContact O-OG 2.9Å |
| 30 | F | 94.7 | Very high | 92.4 | Very high | 128 Ų | 128 | 102.9 Ų | 102.9 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -50.5 | 175.9 | 172.9 | -101.5 | 0 | 0 | 0 | 111.5 | F26 F27 L28 S33 F34 | F26-F30 WeakPolarHBondContact O-CB 3.19Å; F26-F30 PolarHBondContact O-N 2.85Å; F27-F30 PolarHBondContact O-N 3.34Å; L28-F30 PolarHBondContact O-N 3.27Å; F30-S33 PolarHBondContact O-N 2.94Å; F30-F34 VanDerWaalsContact O-CB 3.3Å; F30-F34 WeakPolarHBondContact O-CB 3.48Å; F30-F34 PolarHBondContact O-N 3.46Å |
| 31 | F | 95.4 | Very high | 93.1 | Very high | 102 Ų | 102 | 100 Ų | 100 | 45% | 0.447 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | -178.2 | -176.3 | -95.1 | 0 | 0 | 0 | 111.8 | F27 L28 F34 F35 | F27-F31 VanDerWaalsContact O-CB 3.26Å; F27-F31 WeakPolarHBondContact O-CB 3.41Å; F27-F31 PolarHBondContact O-N 3.32Å; L28-F31 PolarHBondContact O-N 2.94Å; F31-F34 PolarHBondContact O-N 2.88Å; F31-F35 HydrophobicContact CE1-CD2 4.38Å; F31-F35 HydrophobicContact CZ-CD2 4.24Å; F31-F35 WeakPolarHBondContact O-CB 3.2Å; F31-F35 PolarHBondContact O-N 3.44Å |
| 32 | L | 94.5 | Very high | 93.6 | Very high | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 179.3 | -172.9 | 64.5 | 0 | 0 | 0 | 111.2 | L28 F35 L36 | L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å; L32-F35 PolarHBondContact O-N 3.2Å; L32-L36 WeakPolarHBondContact O-CB 3.49Å; L32-L36 PolarHBondContact O-N 3.45Å |
| 33 | S | 96.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 99.1 Ų | 99.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 177.8 | -60 | 0 | 0 | 0 | 0 | 111.3 | S29 F30 S37 | S29-S33 WeakPolarHBondContact O-CB 3.37Å; S29-S33 PolarHBondContact O-N 3.48Å; S29-S33 PolarHBondContact O-OG 2.9Å; F30-S33 PolarHBondContact O-N 2.94Å; S33-S37 WeakPolarHBondContact O-CB 3.48Å; S33-S37 PolarHBondContact O-N 3.34Å; S33-S37 PolarHBondContact O-OG 2.93Å |
| 34 | F | 95.9 | Very high | 94.4 | Very high | 127 Ų | 127 | 98.7 Ų | 98.7 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -51.2 | 177.3 | 172 | -102.4 | 0 | 0 | 0 | 111.5 | F30 F31 S37 F38 | F30-F34 VanDerWaalsContact O-CB 3.3Å; F30-F34 WeakPolarHBondContact O-CB 3.48Å; F30-F34 PolarHBondContact O-N 3.46Å; F31-F34 PolarHBondContact O-N 2.88Å; F34-S37 PolarHBondContact O-N 3.48Å; F34-F38 VanDerWaalsContact O-CB 3.26Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.83Å |
| 35 | F | 96.5 | Very high | 95 | Very high | 91 Ų | 91 | 96.6 Ų | 96.6 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -52.6 | -178.6 | -170.9 | -85.7 | 0 | 0 | 0 | 110.5 | F31 L32 S37 F38 F39 | F31-F35 HydrophobicContact CE1-CD2 4.38Å; F31-F35 HydrophobicContact CZ-CD2 4.24Å; F31-F35 WeakPolarHBondContact O-CB 3.2Å; F31-F35 PolarHBondContact O-N 3.44Å; L32-F35 PolarHBondContact O-N 3.2Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 2.83Å; F35-F38 PolarHBondContact O-N 3.1Å; F35-F39 AromaticContact CD1-CD2 3.4Å; F35-F39 HydrophobicContact CD1-CD2 3.4Å; F35-F39 VanDerWaalsContact CD1-CD2 3.4Å; F35-F39 AromaticContact CD1-CE2 3.86Å; F35-F39 HydrophobicContact CD1-CE2 3.86Å; F35-F39 HydrophobicContact CD1-CG 4.23Å; F35-F39 AromaticContact CD2-CD2 3.74Å; F35-F39 HydrophobicContact CD2-CD2 3.74Å; F35-F39 AromaticContact CD2-CE2 3.4Å; F35-F39 HydrophobicContact CD2-CE2 3.4Å; F35-F39 HydrophobicContact CD2-CZ 4.46Å; F35-F39 AromaticContact CE1-CD2 3.28Å; F35-F39 HydrophobicContact CE1-CD2 3.28Å; F35-F39 AromaticContact CE1-CE2 3.47Å; F35-F39 HydrophobicContact CE1-CE2 3.47Å; F35-F39 VanDerWaalsContact CE1-CE2 3.47Å; F35-F39 AromaticContact CE1-CG 3.91Å; F35-F39 HydrophobicContact CE1-CG 3.91Å; F35-F39 HydrophobicContact CE1-CZ 4.13Å; F35-F39 AromaticContact CE2-CD2 3.66Å; F35-F39 HydrophobicContact CE2-CD2 3.66Å; F35-F39 AromaticContact CE2-CE2 2.99Å; F35-F39 HydrophobicContact CE2-CE2 2.99Å; F35-F39 AromaticContact CE2-CZ 3.67Å; F35-F39 HydrophobicContact CE2-CZ 3.67Å; F35-F39 AromaticContact CG-CD2 3.63Å; F35-F39 HydrophobicContact CG-CD2 3.63Å; F35-F39 AromaticContact CG-CE2 3.83Å; F35-F39 HydrophobicContact CG-CE2 3.83Å; F35-F39 AromaticContact CZ-CD2 3.42Å; F35-F39 HydrophobicContact CZ-CD2 3.42Å; F35-F39 VanDerWaalsContact CZ-CD2 3.42Å; F35-F39 HydrophobicContact CZ-CE1 4.27Å; F35-F39 AromaticContact CZ-CE2 3.02Å; F35-F39 HydrophobicContact CZ-CE2 3.02Å; F35-F39 HydrophobicContact CZ-CG 4.24Å; F35-F39 AromaticContact CZ-CZ 3.46Å; F35-F39 HydrophobicContact CZ-CZ 3.46Å; F35-F39 VanDerWaalsContact CZ-CZ 3.46Å; F35-F39 WeakPolarHBondContact O-CB 2.99Å; F35-F39 VanDerWaalsContact O-CD2 3.25Å; F35-F39 WeakPolarHBondContact O-CD2 3.44Å; F35-F39 PolarHBondContact O-N 3.05Å |
| 36 | L | 95.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | -179.1 | -172.6 | 63.8 | 0 | 0 | 0 | 111.5 | L32 F38 L40 | L32-L36 WeakPolarHBondContact O-CB 3.49Å; L32-L36 PolarHBondContact O-N 3.45Å; L36-F38 PolarHBondContact O-N 3.01Å; L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 PolarHBondContact O-N 3.22Å |
| 37 | S | 96.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | S33 F34 F35 S41 | S33-S37 WeakPolarHBondContact O-CB 3.48Å; S33-S37 PolarHBondContact O-N 3.34Å; S33-S37 PolarHBondContact O-OG 2.93Å; F34-S37 PolarHBondContact O-N 3.48Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 2.83Å; S37-S41 WeakPolarHBondContact O-CB 3.35Å; S37-S41 PolarHBondContact O-N 2.96Å; S37-S41 PolarHBondContact O-OG 2.84Å |
| 38 | F | 96.3 | Very high | 95.6 | Very high | 115 Ų | 115 | 96.8 Ų | 96.8 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -52.6 | 178.2 | 172.4 | -101.7 | 0 | 0 | 0 | 111.5 | F34 F35 L36 S41 F42 | F34-F38 VanDerWaalsContact O-CB 3.26Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.83Å; F35-F38 PolarHBondContact O-N 3.1Å; L36-F38 PolarHBondContact O-N 3.01Å; F38-S41 PolarHBondContact O-N 2.75Å; F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.49Å; F38-F42 PolarHBondContact O-N 3.45Å |
| 39 | F | 96.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 30% | 0.303 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | -178.1 | -85.7 | -83.2 | 0 | 0 | 0 | 111.7 | F35 F42 F43 | F35-F39 AromaticContact CD1-CD2 3.4Å; F35-F39 HydrophobicContact CD1-CD2 3.4Å; F35-F39 VanDerWaalsContact CD1-CD2 3.4Å; F35-F39 AromaticContact CD1-CE2 3.86Å; F35-F39 HydrophobicContact CD1-CE2 3.86Å; F35-F39 HydrophobicContact CD1-CG 4.23Å; F35-F39 AromaticContact CD2-CD2 3.74Å; F35-F39 HydrophobicContact CD2-CD2 3.74Å; F35-F39 AromaticContact CD2-CE2 3.4Å; F35-F39 HydrophobicContact CD2-CE2 3.4Å; F35-F39 HydrophobicContact CD2-CZ 4.46Å; F35-F39 AromaticContact CE1-CD2 3.28Å; F35-F39 HydrophobicContact CE1-CD2 3.28Å; F35-F39 AromaticContact CE1-CE2 3.47Å; F35-F39 HydrophobicContact CE1-CE2 3.47Å; F35-F39 VanDerWaalsContact CE1-CE2 3.47Å; F35-F39 AromaticContact CE1-CG 3.91Å; F35-F39 HydrophobicContact CE1-CG 3.91Å; F35-F39 HydrophobicContact CE1-CZ 4.13Å; F35-F39 AromaticContact CE2-CD2 3.66Å; F35-F39 HydrophobicContact CE2-CD2 3.66Å; F35-F39 AromaticContact CE2-CE2 2.99Å; F35-F39 HydrophobicContact CE2-CE2 2.99Å; F35-F39 AromaticContact CE2-CZ 3.67Å; F35-F39 HydrophobicContact CE2-CZ 3.67Å; F35-F39 AromaticContact CG-CD2 3.63Å; F35-F39 HydrophobicContact CG-CD2 3.63Å; F35-F39 AromaticContact CG-CE2 3.83Å; F35-F39 HydrophobicContact CG-CE2 3.83Å; F35-F39 AromaticContact CZ-CD2 3.42Å; F35-F39 HydrophobicContact CZ-CD2 3.42Å; F35-F39 VanDerWaalsContact CZ-CD2 3.42Å; F35-F39 HydrophobicContact CZ-CE1 4.27Å; F35-F39 AromaticContact CZ-CE2 3.02Å; F35-F39 HydrophobicContact CZ-CE2 3.02Å; F35-F39 HydrophobicContact CZ-CG 4.24Å; F35-F39 AromaticContact CZ-CZ 3.46Å; F35-F39 HydrophobicContact CZ-CZ 3.46Å; F35-F39 VanDerWaalsContact CZ-CZ 3.46Å; F35-F39 WeakPolarHBondContact O-CB 2.99Å; F35-F39 VanDerWaalsContact O-CD2 3.25Å; F35-F39 WeakPolarHBondContact O-CD2 3.44Å; F35-F39 PolarHBondContact O-N 3.05Å; F39-F42 PolarHBondContact O-N 3.25Å; F39-F43 HydrophobicContact CB-CD2 4.21Å; F39-F43 HydrophobicContact CB-CE2 4.34Å; F39-F43 HydrophobicContact CD1-CD2 4.12Å; F39-F43 AromaticContact CD1-CE2 3.5Å; F39-F43 HydrophobicContact CD1-CE2 3.5Å; F39-F43 VanDerWaalsContact CD1-CE2 3.5Å; F39-F43 HydrophobicContact CD1-CZ 4.28Å; F39-F43 HydrophobicContact CE1-CE2 4.3Å; F39-F43 HydrophobicContact CG-CE2 4.4Å; F39-F43 VanDerWaalsContact O-CB 3.3Å; F39-F43 WeakPolarHBondContact O-CB 3.4Å; F39-F43 WeakPolarHBondContact O-CD2 3Å; F39-F43 WeakPolarHBondContact O-CG 3.38Å; F39-F43 PolarHBondContact O-N 2.96Å |
| 40 | L | 94.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 179.7 | -171.3 | 64 | 0 | 0 | 0 | 111 | L36 F42 L44 | L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 PolarHBondContact O-N 3.22Å; L40-F42 PolarHBondContact O-N 3.42Å; L40-L44 WeakPolarHBondContact O-CA 3.39Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.82Å |
| 41 | S | 97 | Very high | 95.9 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 51% | 0.51 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | S37 F38 S45 | S37-S41 WeakPolarHBondContact O-CB 3.35Å; S37-S41 PolarHBondContact O-N 2.96Å; S37-S41 PolarHBondContact O-OG 2.84Å; F38-S41 PolarHBondContact O-N 2.75Å; S41-S45 WeakPolarHBondContact O-CB 3.14Å; S41-S45 PolarHBondContact O-N 2.88Å; S41-S45 PolarHBondContact O-OG 2.94Å |
| 42 | F | 96.3 | Very high | 95.7 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -53.8 | 177.9 | 172.5 | -101.9 | 0 | 0 | 0 | 111.5 | F38 F39 L40 F46 | F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.49Å; F38-F42 PolarHBondContact O-N 3.45Å; F39-F42 PolarHBondContact O-N 3.25Å; L40-F42 PolarHBondContact O-N 3.42Å; F42-F46 VanDerWaalsContact O-CB 3.27Å; F42-F46 WeakPolarHBondContact O-CB 3.22Å; F42-F46 PolarHBondContact O-N 3.03Å |
| 43 | F | 96.7 | Very high | 95.8 | Very high | 92 Ų | 92 | 94.9 Ų | 94.9 | 40% | 0.404 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -50.4 | -178.7 | -78.7 | -58.5 | 0 | 0 | 0 | 111.4 | F39 S45 F46 F47 | F39-F43 HydrophobicContact CB-CD2 4.21Å; F39-F43 HydrophobicContact CB-CE2 4.34Å; F39-F43 HydrophobicContact CD1-CD2 4.12Å; F39-F43 AromaticContact CD1-CE2 3.5Å; F39-F43 HydrophobicContact CD1-CE2 3.5Å; F39-F43 VanDerWaalsContact CD1-CE2 3.5Å; F39-F43 HydrophobicContact CD1-CZ 4.28Å; F39-F43 HydrophobicContact CE1-CE2 4.3Å; F39-F43 HydrophobicContact CG-CE2 4.4Å; F39-F43 VanDerWaalsContact O-CB 3.3Å; F39-F43 WeakPolarHBondContact O-CB 3.4Å; F39-F43 WeakPolarHBondContact O-CD2 3Å; F39-F43 WeakPolarHBondContact O-CG 3.38Å; F39-F43 PolarHBondContact O-N 2.96Å; F43-S45 VanDerWaalsContact C-N 3.34Å; F43-S45 PolarHBondContact O-N 3.1Å; F43-F46 PolarHBondContact O-N 3.16Å; F43-F47 HydrophobicContact CB-CD2 4Å; F43-F47 HydrophobicContact CB-CE2 4.02Å; F43-F47 HydrophobicContact CD1-CD2 4.31Å; F43-F47 AromaticContact CD1-CE2 3.59Å; F43-F47 HydrophobicContact CD1-CE2 3.59Å; F43-F47 HydrophobicContact CD1-CZ 4.41Å; F43-F47 HydrophobicContact CE1-CE2 4.43Å; F43-F47 HydrophobicContact CG-CE2 4.17Å; F43-F47 WeakPolarHBondContact O-CB 3.26Å; F43-F47 WeakPolarHBondContact O-CD2 3.02Å; F43-F47 PolarHBondContact O-N 3.09Å |
| 44 | L | 94 | Very high | 95.8 | Very high | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | -177.6 | -171.1 | 63.8 | 0 | 0 | 0 | 111.1 | L40 F46 L48 | L40-L44 WeakPolarHBondContact O-CA 3.39Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.82Å; L44-F46 PolarHBondContact O-N 3.04Å; L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 PolarHBondContact O-N 3.03Å |
| 45 | S | 97 | Very high | 95.8 | Very high | 72 Ų | 72 | 95.6 Ų | 95.6 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | S41 F43 S49 | S41-S45 WeakPolarHBondContact O-CB 3.14Å; S41-S45 PolarHBondContact O-N 2.88Å; S41-S45 PolarHBondContact O-OG 2.94Å; F43-S45 VanDerWaalsContact C-N 3.34Å; F43-S45 PolarHBondContact O-N 3.1Å; S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.43Å; S45-S49 PolarHBondContact O-OG 2.99Å |
| 46 | F | 96.4 | Very high | 95.4 | Very high | 119 Ų | 119 | 95.9 Ų | 95.9 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -54.4 | 177.7 | 172.4 | -101.2 | 0 | 0 | 0 | 111.6 | F42 F43 L44 F50 | F42-F46 VanDerWaalsContact O-CB 3.27Å; F42-F46 WeakPolarHBondContact O-CB 3.22Å; F42-F46 PolarHBondContact O-N 3.03Å; F43-F46 PolarHBondContact O-N 3.16Å; L44-F46 PolarHBondContact O-N 3.04Å; F46-F50 VanDerWaalsContact O-CB 3.26Å; F46-F50 WeakPolarHBondContact O-CB 3.33Å; F46-F50 PolarHBondContact O-N 3.26Å |
| 47 | F | 96.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 94.4 Ų | 94.4 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -49.8 | -178.6 | -76.2 | -63.5 | 0 | 0 | 0 | 111.1 | F43 S49 F50 F51 | F43-F47 HydrophobicContact CB-CD2 4Å; F43-F47 HydrophobicContact CB-CE2 4.02Å; F43-F47 HydrophobicContact CD1-CD2 4.31Å; F43-F47 AromaticContact CD1-CE2 3.59Å; F43-F47 HydrophobicContact CD1-CE2 3.59Å; F43-F47 HydrophobicContact CD1-CZ 4.41Å; F43-F47 HydrophobicContact CE1-CE2 4.43Å; F43-F47 HydrophobicContact CG-CE2 4.17Å; F43-F47 WeakPolarHBondContact O-CB 3.26Å; F43-F47 WeakPolarHBondContact O-CD2 3.02Å; F43-F47 PolarHBondContact O-N 3.09Å; F47-S49 PolarHBondContact O-N 2.82Å; F47-F50 PolarHBondContact O-N 2.96Å; F47-F51 HydrophobicContact CB-CD2 4.06Å; F47-F51 HydrophobicContact CB-CE2 4.05Å; F47-F51 HydrophobicContact CD1-CD2 4.47Å; F47-F51 AromaticContact CD1-CE2 3.72Å; F47-F51 HydrophobicContact CD1-CE2 3.72Å; F47-F51 HydrophobicContact CG-CE2 4.3Å; F47-F51 WeakPolarHBondContact O-CB 3.05Å; F47-F51 WeakPolarHBondContact O-CD2 3.04Å; F47-F51 PolarHBondContact O-N 2.8Å |
| 48 | L | 93.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -43 | -177.8 | -170.6 | 64.2 | 0 | 0 | 0 | 111.3 | L44 L52 | L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 PolarHBondContact O-N 3.03Å; L48-L52 WeakPolarHBondContact O-CB 3.21Å; L48-L52 PolarHBondContact O-N 3.39Å |
| 49 | S | 96.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 96.6 Ų | 96.6 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.6 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | S45 F47 S53 | S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.43Å; S45-S49 PolarHBondContact O-OG 2.99Å; F47-S49 PolarHBondContact O-N 2.82Å; S49-S53 WeakPolarHBondContact O-CB 3.26Å; S49-S53 PolarHBondContact O-N 3.41Å |
| 50 | F | 96.3 | Very high | 94.8 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -53.4 | 177.8 | 172.4 | -100.8 | 0 | 0 | 0 | 111.5 | F46 F47 F54 | F46-F50 VanDerWaalsContact O-CB 3.26Å; F46-F50 WeakPolarHBondContact O-CB 3.33Å; F46-F50 PolarHBondContact O-N 3.26Å; F47-F50 PolarHBondContact O-N 2.96Å; F50-F54 VanDerWaalsContact O-CB 3.28Å; F50-F54 WeakPolarHBondContact O-CB 3.09Å; F50-F54 PolarHBondContact O-N 3.49Å |
| 51 | F | 96.1 | Very high | 94.6 | Very high | 96 Ų | 96 | 99.2 Ų | 99.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | -178.6 | -75.3 | -62.6 | 0 | 0 | 0 | 111.5 | F47 S53 F54 F55 | F47-F51 HydrophobicContact CB-CD2 4.06Å; F47-F51 HydrophobicContact CB-CE2 4.05Å; F47-F51 HydrophobicContact CD1-CD2 4.47Å; F47-F51 AromaticContact CD1-CE2 3.72Å; F47-F51 HydrophobicContact CD1-CE2 3.72Å; F47-F51 HydrophobicContact CG-CE2 4.3Å; F47-F51 WeakPolarHBondContact O-CB 3.05Å; F47-F51 WeakPolarHBondContact O-CD2 3.04Å; F47-F51 PolarHBondContact O-N 2.8Å; F51-S53 PolarHBondContact O-N 2.92Å; F51-F54 WeakPolarHBondContact O-CB 3.03Å; F51-F54 PolarHBondContact O-N 2.85Å; F51-F55 HydrophobicContact CB-CD2 4.15Å; F51-F55 HydrophobicContact CB-CE2 4.04Å; F51-F55 HydrophobicContact CD1-CE2 4.09Å; F51-F55 HydrophobicContact CG-CE2 4.46Å; F51-F55 WeakPolarHBondContact O-CB 3.05Å; F51-F55 WeakPolarHBondContact O-CD2 3.49Å; F51-F55 WeakPolarHBondContact O-CG 3.02Å; F51-F55 PolarHBondContact O-N 3.49Å |
| 52 | L | 91.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | -179.3 | -172.4 | 64.2 | 0 | 0 | 0 | 111.5 | L48 F55 L56 | L48-L52 WeakPolarHBondContact O-CB 3.21Å; L48-L52 PolarHBondContact O-N 3.39Å; L52-F55 PolarHBondContact O-N 2.8Å; L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 PolarHBondContact O-N 3.01Å |
| 53 | S | 95.9 | Very high | 94 | Very high | 73 Ų | 73 | 97.5 Ų | 97.5 | 51% | 0.51 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | S49 F51 S57 | S49-S53 WeakPolarHBondContact O-CB 3.26Å; S49-S53 PolarHBondContact O-N 3.41Å; F51-S53 PolarHBondContact O-N 2.92Å; S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.38Å; S53-S57 PolarHBondContact O-OG 3Å |
| 54 | F | 95.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -52.3 | 176.1 | 172.6 | -99.4 | 0 | 0 | 0 | 111.8 | F50 F51 S57 F58 | F50-F54 VanDerWaalsContact O-CB 3.28Å; F50-F54 WeakPolarHBondContact O-CB 3.09Å; F50-F54 PolarHBondContact O-N 3.49Å; F51-F54 WeakPolarHBondContact O-CB 3.03Å; F51-F54 PolarHBondContact O-N 2.85Å; F54-S57 PolarHBondContact O-N 2.83Å; F54-F58 WeakPolarHBondContact O-CB 3.3Å; F54-F58 PolarHBondContact O-N 2.96Å |
| 55 | F | 95.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 102 Ų | 102 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | -179.6 | -75.2 | -60.4 | 0 | 0 | 0 | 111.7 | F51 L52 S57 F58 F59 | F51-F55 HydrophobicContact CB-CD2 4.15Å; F51-F55 HydrophobicContact CB-CE2 4.04Å; F51-F55 HydrophobicContact CD1-CE2 4.09Å; F51-F55 HydrophobicContact CG-CE2 4.46Å; F51-F55 WeakPolarHBondContact O-CB 3.05Å; F51-F55 WeakPolarHBondContact O-CD2 3.49Å; F51-F55 WeakPolarHBondContact O-CG 3.02Å; F51-F55 PolarHBondContact O-N 3.49Å; L52-F55 PolarHBondContact O-N 2.8Å; F55-S57 VanDerWaalsContact C-N 3.35Å; F55-S57 PolarHBondContact O-N 2.77Å; F55-F58 WeakPolarHBondContact O-CB 3.27Å; F55-F58 PolarHBondContact O-N 3.5Å; F55-F59 HydrophobicContact CB-CD2 4.29Å; F55-F59 HydrophobicContact CB-CE2 4.08Å; F55-F59 WeakPolarHBondContact O-CD2 3.13Å; F55-F59 WeakPolarHBondContact O-CG 3.09Å; F55-F59 PolarHBondContact O-N 2.96Å |
| 56 | L | 89.8 | Confident | 92.1 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 179.5 | -170.1 | 63.4 | 0 | 0 | 0 | 111.3 | L52 F58 F59 L60 | L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 PolarHBondContact O-N 3.01Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 2.69Å; L56-F59 PolarHBondContact O-N 3.38Å; L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 HydrophobicContact CG-CG 4.49Å; L56-L60 WeakPolarHBondContact O-CB 3.25Å; L56-L60 VanDerWaalsContact O-CG 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.15Å; L56-L60 PolarHBondContact O-N 3.5Å |
| 57 | S | 95.1 | Very high | 91 | Very high | 71 Ų | 71 | 105.1 Ų | 105.1 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | S53 F54 F55 F61 | S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.38Å; S53-S57 PolarHBondContact O-OG 3Å; F54-S57 PolarHBondContact O-N 2.83Å; F55-S57 VanDerWaalsContact C-N 3.35Å; F55-S57 PolarHBondContact O-N 2.77Å; S57-F61 VanDerWaalsContact O-CB 3.22Å; S57-F61 WeakPolarHBondContact O-CB 3.49Å; S57-F61 PolarHBondContact O-N 3.25Å |
| 58 | F | 94.1 | Very high | 89.9 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 175.4 | 178.1 | -101.9 | 0 | 0 | 0 | 112.2 | F54 F55 L56 F61 L62 | F54-F58 WeakPolarHBondContact O-CB 3.3Å; F54-F58 PolarHBondContact O-N 2.96Å; F55-F58 WeakPolarHBondContact O-CB 3.27Å; F55-F58 PolarHBondContact O-N 3.5Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 2.69Å; F58-F61 WeakPolarHBondContact O-CB 3.15Å; F58-F61 PolarHBondContact O-N 3.49Å; F58-L62 HydrophobicContact CD1-CD1 3.97Å; F58-L62 HydrophobicContact CE1-CD1 3.36Å; F58-L62 HydrophobicContact CE1-CG 4.19Å; F58-L62 HydrophobicContact CE2-CD1 4.34Å; F58-L62 HydrophobicContact CE2-CG 4.43Å; F58-L62 HydrophobicContact CZ-CD1 3.58Å; F58-L62 HydrophobicContact CZ-CD2 4.45Å; F58-L62 HydrophobicContact CZ-CG 4.13Å; F58-L62 WeakPolarHBondContact O-CG 3.26Å; F58-L62 PolarHBondContact O-N 3.24Å |
| 59 | F | 93.3 | Very high | 88.6 | Confident | 129 Ų | 129 | 103.9 Ų | 103.9 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 178.1 | -73.4 | -60.3 | 0 | 0 | 0 | 112.6 | F55 L56 L62 C63 | F55-F59 HydrophobicContact CB-CD2 4.29Å; F55-F59 HydrophobicContact CB-CE2 4.08Å; F55-F59 WeakPolarHBondContact O-CD2 3.13Å; F55-F59 WeakPolarHBondContact O-CG 3.09Å; F55-F59 PolarHBondContact O-N 2.96Å; L56-F59 PolarHBondContact O-N 3.38Å; F59-L62 PolarHBondContact O-N 2.82Å; F59-C63 WeakPolarHBondContact O-CB 3.16Å; F59-C63 PolarHBondContact O-N 3.36Å |
| 60 | L | 88.6 | Confident | 86.9 | Confident | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 175.5 | -70.8 | 176.2 | 0 | 0 | 0 | 111.8 | L56 C63 F64 | L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 HydrophobicContact CG-CG 4.49Å; L56-L60 WeakPolarHBondContact O-CB 3.25Å; L56-L60 VanDerWaalsContact O-CG 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.15Å; L56-L60 PolarHBondContact O-N 3.5Å; L60-C63 PolarHBondContact O-N 3.38Å; L60-F64 WeakPolarHBondContact O-CB 3.4Å; L60-F64 PolarHBondContact O-N 2.94Å |
| 61 | F | 91.8 | Very high | 85.3 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 173.8 | 177.4 | -96.3 | 0 | 0 | 0 | 111.3 | S57 F58 F64 W65 | S57-F61 VanDerWaalsContact O-CB 3.22Å; S57-F61 WeakPolarHBondContact O-CB 3.49Å; S57-F61 PolarHBondContact O-N 3.25Å; F58-F61 WeakPolarHBondContact O-CB 3.15Å; F58-F61 PolarHBondContact O-N 3.49Å; F61-F64 PolarHBondContact O-N 2.71Å; F61-W65 HydrophobicContact CZ-CE3 4.1Å; F61-W65 WeakPolarHBondContact O-CB 3.19Å; F61-W65 PolarHBondContact O-N 2.84Å |
| 62 | L | 90.8 | Very high | 83.6 | Confident | 70 Ų | 70 | 105 Ų | 105 | 37% | 0.366 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.4 | -73 | -179.2 | 0 | 0 | 0 | 112.3 | F58 F59 W65 E66 | F58-L62 HydrophobicContact CD1-CD1 3.97Å; F58-L62 HydrophobicContact CE1-CD1 3.36Å; F58-L62 HydrophobicContact CE1-CG 4.19Å; F58-L62 HydrophobicContact CE2-CD1 4.34Å; F58-L62 HydrophobicContact CE2-CG 4.43Å; F58-L62 HydrophobicContact CZ-CD1 3.58Å; F58-L62 HydrophobicContact CZ-CD2 4.45Å; F58-L62 HydrophobicContact CZ-CG 4.13Å; F58-L62 WeakPolarHBondContact O-CG 3.26Å; F58-L62 PolarHBondContact O-N 3.24Å; F59-L62 PolarHBondContact O-N 2.82Å; L62-W65 WeakPolarHBondContact O-CB 3.22Å; L62-W65 PolarHBondContact O-N 2.94Å; L62-E66 WeakPolarHBondContact O-CB 3.15Å; L62-E66 PolarHBondContact O-N 2.93Å |
| 63 | C | 88.9 | Confident | 82.3 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 179.2 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | F59 L60 E66 H67 | F59-C63 WeakPolarHBondContact O-CB 3.16Å; F59-C63 PolarHBondContact O-N 3.36Å; L60-C63 PolarHBondContact O-N 3.38Å; C63-E66 PolarHBondContact O-N 2.7Å; C63-H67 PolarHBondContact O-N 2.83Å; C63-H67 VanDerWaalsContact O-N 3.09Å |
| 64 | F | 84.8 | Confident | 80.6 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 174.1 | 178.4 | -99.6 | 0 | 0 | 0 | 112.1 | L60 F61 E66 H67 V68 | L60-F64 WeakPolarHBondContact O-CB 3.4Å; L60-F64 PolarHBondContact O-N 2.94Å; F61-F64 PolarHBondContact O-N 2.71Å; F64-E66 VanDerWaalsContact C-N 3.32Å; F64-E66 PolarHBondContact O-N 2.7Å; F64-H67 PolarHBondContact O-N 2.92Å; F64-V68 HydrophobicContact CD1-CG2 4.35Å; F64-V68 HydrophobicContact CE1-CG2 3.77Å; F64-V68 HydrophobicContact CE2-CG2 4.21Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 PolarHBondContact O-N 2.69Å |
| 65 | W | 83 | Confident | 78.9 | Confident | 152 Ų | 152 | 107.5 Ų | 107.5 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 176.7 | -174.8 | -92.2 | 0 | 0 | 0 | 111 | F61 L62 V68 T69 | F61-W65 HydrophobicContact CZ-CE3 4.1Å; F61-W65 WeakPolarHBondContact O-CB 3.19Å; F61-W65 PolarHBondContact O-N 2.84Å; L62-W65 WeakPolarHBondContact O-CB 3.22Å; L62-W65 PolarHBondContact O-N 2.94Å; W65-V68 PolarHBondContact O-N 3.39Å; W65-T69 WeakPolarHBondContact O-CB 3.26Å; W65-T69 PolarHBondContact O-N 3.43Å; W65-T69 PolarHBondContact O-OG1 3.47Å |
| 66 | E | 80.8 | Confident | 77.2 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 177.6 | -172.6 | 152.2 | -178.8 | 0 | 0 | 111.9 | L62 C63 F64 V68 T69 I70 | L62-E66 WeakPolarHBondContact O-CB 3.15Å; L62-E66 PolarHBondContact O-N 2.93Å; C63-E66 PolarHBondContact O-N 2.7Å; F64-E66 VanDerWaalsContact C-N 3.32Å; F64-E66 PolarHBondContact O-N 2.7Å; E66-V68 PolarHBondContact O-N 2.95Å; E66-T69 PolarHBondContact O-N 3.5Å; E66-T69 VanDerWaalsContact O-N 3.15Å; E66-I70 HydrophobicContact CG-CD1 3.43Å; E66-I70 VanDerWaalsContact CG-CD1 3.43Å; E66-I70 HydrophobicContact CG-CG1 4.35Å; E66-I70 WeakPolarHBondContact O-CD1 3.26Å; E66-I70 WeakPolarHBondContact O-CG1 3.19Å; E66-I70 PolarHBondContact O-N 3.4Å |
| 67 | H | 73.3 | Confident | 75.3 | Confident | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.616 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 173.6 | -176.6 | -81.3 | 0 | 0 | 0 | 113 | C63 F64 T69 I70 | C63-H67 PolarHBondContact O-N 2.83Å; C63-H67 VanDerWaalsContact O-N 3.09Å; F64-H67 PolarHBondContact O-N 2.92Å; H67-T69 VanDerWaalsContact C-N 3.25Å; H67-T69 PolarHBondContact O-N 3.44Å; H67-I70 PolarHBondContact O-N 2.8Å |
| 68 | V | 73.8 | Confident | 73.4 | Confident | 83 Ų | 83 | 113.9 Ų | 113.9 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -31.4 | 175 | 153.1 | 0 | 0 | 0 | 0 | 112.1 | F64 W65 E66 | F64-V68 HydrophobicContact CD1-CG2 4.35Å; F64-V68 HydrophobicContact CE1-CG2 3.77Å; F64-V68 HydrophobicContact CE2-CG2 4.21Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 PolarHBondContact O-N 2.69Å; W65-V68 PolarHBondContact O-N 3.39Å; E66-V68 PolarHBondContact O-N 2.95Å |
| 69 | T | 65 | Low | 71.4 | Confident | 91 Ų | 91 | 116.6 Ų | 116.6 | 56% | 0.558 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -83 | -22.8 | -179.3 | -37.5 | 0 | 0 | 0 | 0 | 112.4 | W65 E66 H67 | W65-T69 WeakPolarHBondContact O-CB 3.26Å; W65-T69 PolarHBondContact O-N 3.43Å; W65-T69 PolarHBondContact O-OG1 3.47Å; E66-T69 PolarHBondContact O-N 3.5Å; E66-T69 VanDerWaalsContact O-N 3.15Å; H67-T69 VanDerWaalsContact C-N 3.25Å; H67-T69 PolarHBondContact O-N 3.44Å |
| 70 | I | 61.8 | Low | 69.5 | Low | 101 Ų | 101 | 116.2 Ų | 116.2 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | 26.7 | -179.7 | -51.7 | 158.1 | 0 | 0 | 0 | 112.6 | E66 H67 P72 | E66-I70 HydrophobicContact CG-CD1 3.43Å; E66-I70 VanDerWaalsContact CG-CD1 3.43Å; E66-I70 HydrophobicContact CG-CG1 4.35Å; E66-I70 WeakPolarHBondContact O-CD1 3.26Å; E66-I70 WeakPolarHBondContact O-CG1 3.19Å; E66-I70 PolarHBondContact O-N 3.4Å; H67-I70 PolarHBondContact O-N 2.8Å; I70-P72 WeakPolarHBondContact O-CD 3.35Å |
| 71 | E | 61.7 | Low | 67.3 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 60% | 0.598 | 59% | 0.585 | S | S | * | * | trans | -92.4 | 72.2 | 152.6 | -86.3 | -69 | 134.2 | 0 | 0 | 109.6 | N73 | E71-N73 PolarHBondContact O-N 2.85Š| ||
| 72 | P | 61.3 | Low | 65.2 | Low | 83 Ų | 83 | 119 Ų | 119 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | trans | -71.9 | 93.6 | 162.2 | 32.7 | -29.4 | 0 | 0 | 0 | 104.9 | I70 K74 | I70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-K74 VanDerWaalsContact O-CG 3.25Å; P72-K74 WeakPolarHBondContact O-CG 3.33Å; P72-K74 PolarHBondContact O-N 2.97Å | ||
| 73 | N | 63.9 | Low | 62.8 | Low | 81 Ų | 81 | 121.1 Ų | 121.1 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | trans | -16.8 | 99.4 | 166.7 | -168.8 | -55.4 | 0 | 0 | 0 | 113.3 | E71 D75 I76 | E71-N73 PolarHBondContact O-N 2.85Å; N73-D75 VanDerWaalsContact C-N 3.3Å; N73-D75 PolarHBondContact OD1-N 3.38Å; N73-I76 HydrophobicContact CB-CD1 3.96Å; N73-I76 HydrophobicContact CB-CG1 4.45Å; N73-I76 WeakPolarHBondContact ND2-CD1 3.33Å; N73-I76 VanDerWaalsContact ND2-CG1 3.27Å; N73-I76 WeakPolarHBondContact ND2-CG1 3.39Å; N73-I76 VanDerWaalsContact OD1-CB 3.26Å; N73-I76 WeakPolarHBondContact OD1-CB 3.3Å; N73-I76 WeakPolarHBondContact OD1-CD1 3.33Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.24Å; N73-I76 PolarHBondContact OD1-N 3.03Å | ||
| 74 | K | 60.3 | Low | 60.7 | Low | 152 Ų | 152 | 122 Ų | 122 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -84 | -12.8 | 179.9 | -57.4 | 178.3 | -173.5 | 162.8 | 0 | 111.5 | P72 | P72-K74 VanDerWaalsContact O-CG 3.25Å; P72-K74 WeakPolarHBondContact O-CG 3.33Å; P72-K74 PolarHBondContact O-N 2.97Å |
| 75 | D | 60.5 | Low | 59 | Low | 115 Ų | 115 | 121.2 Ų | 121.2 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -96.2 | -25.1 | -170.6 | -64.5 | -54.1 | 0 | 0 | 0 | 114.3 | N73 Q77 K78 L79 | N73-D75 VanDerWaalsContact C-N 3.3Å; N73-D75 PolarHBondContact OD1-N 3.38Å; D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 PolarHBondContact O-N 2.9Å; D75-K78 PolarHBondContact O-N 3.49Å; D75-K78 VanDerWaalsContact O-N 3.11Å; D75-L79 PolarHBondContact O-N 3.42Å |
| 76 | I | 58.9 | Low | 57.1 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 53% | 0.533 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -30 | 174.8 | -65.5 | 164.5 | 0 | 0 | 0 | 110.3 | N73 L79 | N73-I76 HydrophobicContact CB-CD1 3.96Å; N73-I76 HydrophobicContact CB-CG1 4.45Å; N73-I76 WeakPolarHBondContact ND2-CD1 3.33Å; N73-I76 VanDerWaalsContact ND2-CG1 3.27Å; N73-I76 WeakPolarHBondContact ND2-CG1 3.39Å; N73-I76 VanDerWaalsContact OD1-CB 3.26Å; N73-I76 WeakPolarHBondContact OD1-CB 3.3Å; N73-I76 WeakPolarHBondContact OD1-CD1 3.33Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.24Å; N73-I76 PolarHBondContact OD1-N 3.03Å; I76-L79 PolarHBondContact O-N 3.41Å |
| 77 | Q | 49.7 | Very low | 54.9 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -11.1 | 175 | -68 | -75.5 | 25.1 | 0 | 0 | 113.8 | D75 | D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 PolarHBondContact O-N 2.9Å |
| 78 | K | 55.6 | Low | 53.5 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 70% | 0.7 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -19.8 | 168.7 | -152.3 | -178 | -178.1 | -172.5 | 0 | 111.5 | D75 L80 | D75-K78 PolarHBondContact O-N 3.49Å; D75-K78 VanDerWaalsContact O-N 3.11Å; K78-L80 VanDerWaalsContact C-N 3.34Å |
| 79 | L | 52.8 | Low | 51.8 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -4.6 | 175.3 | -140 | 103.5 | 0 | 0 | 0 | 114.2 | D75 I76 | D75-L79 PolarHBondContact O-N 3.42Å; I76-L79 PolarHBondContact O-N 3.41Å |
| 80 | L | 52.2 | Low | 50.8 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 63% | 0.634 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 25.7 | 176.8 | -90 | 152.6 | 0 | 0 | 0 | 113.1 | K78 P82 | K78-L80 VanDerWaalsContact C-N 3.34Å; L80-P82 VanDerWaalsContact O-CD 3.31Å; L80-P82 WeakPolarHBondContact O-CD 3.48Å |
| 81 | K | 43 | Very low | 49.3 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | trans | -93.7 | 107.2 | 160.1 | -93.5 | 94.4 | 177.8 | -179.2 | 0 | 109.4 | S83 | K81-S83 PolarHBondContact O-N 2.93Å; K81-S83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | P | 46.5 | Very low | 47.8 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | trans | -75.6 | 96.1 | 164.4 | 31.1 | -29.1 | 0 | 0 | 0 | 108 | L80 | L80-P82 VanDerWaalsContact O-CD 3.31Å; L80-P82 WeakPolarHBondContact O-CD 3.48Å | ||
| 83 | S | 40.3 | Very low | 46.3 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | trans | -112.5 | 84.7 | 161.7 | -154 | 0 | 0 | 0 | 0 | 105.6 | K81 | K81-S83 PolarHBondContact O-N 2.93Å; K81-S83 VanDerWaalsContact O-N 3.12Å | ||
| 84 | S | 46.2 | Very low | 44.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | 55.8 | 95.6 | 77.4 | -165.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 85 | S | 48.1 | Very low | 43 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 92.7 | 122.5 | 132.1 | -155.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 86 | G | 43.3 | Very low | 41.9 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | 81.5 | 132 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 87 | D | 34.4 | Very low | 40.2 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | cis | -168.5 | 139 | 26.1 | -167.5 | -2.1 | 0 | 0 | 0 | 108 | ||||
| 88 | L | 44.8 | Very low | 39.3 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -137.4 | 94.9 | 178.4 | -164.3 | 146.8 | 0 | 0 | 0 | 107.5 | ||||
| 89 | S | 38.5 | Very low | 38.3 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | trans | -154.4 | 106.8 | 161.7 | -163.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 90 | K | 43.9 | Very low | 37.3 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | 44.4 | 117.6 | 124.7 | -46.4 | 165.9 | -153.1 | 180 | 0 | 118.9 | |||||
| 91 | E | 28.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -176.3 | 103.8 | 142.1 | -100.4 | -83.4 | 106.1 | 0 | 0 | 106 | ||||
| 92 | L | 31.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 58% | 0.576 | 79% | 0.794 | S | S | * | * | 84.3 | 114.8 | 68.7 | -165.7 | 74.2 | 0 | 0 | 0 | 112.9 | |||||
| 93 | F | 29.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 77% | 0.768 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 139.4 | 166.4 | -60.6 | -52.6 | 0 | 0 | 0 | 117.1 | ||||
| 94 | Q | 28.3 | Very low | 35 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | cis | -172.1 | 140 | 30.7 | -128.8 | 165.8 | -19.6 | 0 | 0 | 109 | ||||
| 95 | L | 27 | Very low | 34.2 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 165.1 | 155.5 | -106 | 130.8 | 0 | 0 | 0 | 108.2 | ||||
| 96 | P | 37.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -139.9 | 172.7 | 42 | 34.1 | -10.3 | 0 | 0 | 0 | 114.1 | ||||
| 97 | S | 22.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | 155 | 148.2 | 80.6 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 98 | G | 29.3 | Very low | 33.8 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 125.5 | 98.8 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 99 | E | 35 | Very low | 33.6 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -86 | 144.9 | 171.6 | -50.6 | 167.6 | 129.8 | 0 | 0 | 110.3 | ||||
| 100 | A | 33.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -169.3 | 124.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 101 | E | 35.2 | Very low | 33.6 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 157.4 | 170 | -62.2 | -117.8 | 132 | 0 | 0 | 112.4 | ||||
| 102 | G | 30.7 | Very low | 34.4 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 150.1 | 112.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 103 | S | 28.1 | Very low | 35 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 71.6 | 108.7 | 142.2 | 81.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 104 | L | 38.3 | Very low | 35.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | 50.4 | 128.7 | 111.3 | -159.1 | 71.9 | 0 | 0 | 0 | 122.3 | |||||
| 105 | S | 29 | Very low | 36.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 113.2 | 120.9 | 135.2 | -152 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 106 | G | 31.3 | Very low | 37.2 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 172.2 | 56 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 107 | H | 41.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | 72.2 | 109.6 | 148.5 | -50.7 | -70.5 | 0 | 0 | 0 | 120.6 | ||||
| 108 | T | 45.1 | Very low | 39 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -46 | 122.8 | 144.7 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | A | 40.2 | Very low | 39.6 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -146 | 91.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 110 | S | 39.8 | Very low | 40 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 55.5 | 105.1 | 92.6 | -144 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 111 | L | 42.5 | Very low | 40.7 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 77.8 | 114.7 | 125.5 | -155.2 | 151.7 | 0 | 0 | 0 | 118.8 | |||||
| 112 | L | 47.6 | Very low | 41.4 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 30.5 | 112.3 | 149 | -59.9 | 164.5 | 0 | 0 | 0 | 117.9 | ||||
| 113 | H | 42.6 | Very low | 42.2 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 110.4 | 138.1 | -105.8 | -95.4 | 0 | 0 | 0 | 110.1 | S115 | H113-S115 PolarHBondContact O-N 2.87Š| ||
| 114 | I | 47.8 | Very low | 43.3 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -49.6 | 122.7 | 158.8 | -71.9 | 152.8 | 0 | 0 | 0 | 108.3 | ||||
| 115 | S | 38.8 | Very low | 43.6 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -136 | 79.8 | 154.3 | -166.5 | 0 | 0 | 0 | 0 | 107.9 | H113 K117 | H113-S115 PolarHBondContact O-N 2.87Å; S115-K117 PolarHBondContact O-N 2.91Å | ||
| 116 | E | 45.3 | Very low | 44.8 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -44.8 | 119.6 | 144.5 | 177.2 | -166.2 | 147 | 0 | 0 | 108.5 | ||||
| 117 | K | 49 | Very low | 46.3 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | 170.6 | 79.3 | 147 | -170.3 | -174.4 | -175 | 98.4 | 0 | 109.9 | S115 | S115-K117 PolarHBondContact O-N 2.91Š| ||
| 118 | R | 48.7 | Very low | 47.7 | Very low | 245 Ų | 245 | 142.3 Ų | 142.3 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 109.2 | 144 | -74.3 | -158.4 | 173.4 | 88.4 | 1.8 | 108.4 | ||||
| 119 | Q | 42.8 | Very low | 48.6 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -52.1 | 143.7 | 176.4 | -66.1 | 162.6 | -63.1 | 0 | 0 | 110.3 | L121 | Q119-L121 PolarHBondContact O-N 3.45Š| ||
| 120 | P | 42 | Very low | 49.9 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -62.2 | 130.8 | 158 | 26.3 | -29.2 | 0 | 0 | 0 | 108 | S122 | P120-S122 VanDerWaalsContact C-N 3.29Å; P120-S122 PolarHBondContact O-N 2.86Å | ||
| 121 | L | 47.7 | Very low | 50.7 | Low | 161 Ų | 161 | 144.2 Ų | 144.2 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -63.1 | 94.3 | 171.5 | -56.2 | 177 | 0 | 0 | 0 | 107.5 | Q119 S123 | Q119-L121 PolarHBondContact O-N 3.45Å; L121-S123 PolarHBondContact O-N 3.4Å | ||
| 122 | S | 50.9 | Low | 51.7 | Low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -67.7 | 83.2 | 165.9 | 168.6 | 0 | 0 | 0 | 0 | 108.1 | P120 | P120-S122 VanDerWaalsContact C-N 3.29Å; P120-S122 PolarHBondContact O-N 2.86Å | ||
| 123 | S | 47.1 | Very low | 52.5 | Low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -104 | 70 | 161.2 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | L121 | L121-S123 PolarHBondContact O-N 3.4Š| ||
| 124 | V | 51.1 | Low | 53.3 | Low | 117 Ų | 117 | 142.3 Ų | 142.3 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -89.8 | 107.2 | 147 | -95.5 | 0 | 0 | 0 | 0 | 105.6 | S126 | V124-S126 PolarHBondContact O-N 3.31Å; V124-S126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | S | 45.1 | Very low | 53.8 | Low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -66.1 | 104.1 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | L127 | S125-L127 PolarHBondContact O-N 3.31Å; S125-L127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | S | 54.8 | Low | 54.5 | Low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -64.1 | 108.1 | 165.1 | -56.1 | 0 | 0 | 0 | 0 | 106.9 | V124 E128 | V124-S126 PolarHBondContact O-N 3.31Å; V124-S126 VanDerWaalsContact O-N 3.09Å; S126-E128 PolarHBondContact O-N 3.4Å | ||
| 127 | L | 62.8 | Low | 55 | Low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -67 | 83.9 | 165 | -176 | 80 | 0 | 0 | 0 | 107 | S125 V129 | S125-L127 PolarHBondContact O-N 3.31Å; S125-L127 VanDerWaalsContact O-N 3.1Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å; L127-V129 PolarHBondContact O-N 2.83Å | ||
| 128 | E | 69.4 | Low | 55.3 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -73.4 | 89.7 | 172.1 | -163.8 | 75.9 | -155.1 | 0 | 0 | 107.3 | S126 H130 | S126-E128 PolarHBondContact O-N 3.4Å; E128-H130 PolarHBondContact O-N 3.46Å; E128-H130 VanDerWaalsContact O-N 3.16Å | ||
| 129 | V | 64.8 | Low | 55.6 | Low | 77 Ų | 77 | 134.5 Ų | 134.5 | 47% | 0.467 | 74% | 0.738 | S | S | . | * | trans | -76.1 | 98.8 | 171.7 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | L127 F131 | L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å; L127-V129 PolarHBondContact O-N 2.83Å; V129-F131 HydrophobicContact CB-CD2 4.3Å; V129-F131 HydrophobicContact CB-CE2 3.91Å; V129-F131 HydrophobicContact CB-CZ 4.45Å; V129-F131 HydrophobicContact CG1-CD2 3.95Å; V129-F131 HydrophobicContact CG1-CE1 4.28Å; V129-F131 HydrophobicContact CG1-CE2 3.65Å; V129-F131 HydrophobicContact CG1-CG 4.39Å; V129-F131 HydrophobicContact CG1-CZ 3.83Å; V129-F131 WeakPolarHBondContact O-CD2 3.44Å; V129-F131 PolarHBondContact O-N 3.16Å | ||
| 130 | H | 68.3 | Low | 56.1 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 101.5 | 169.3 | -169.2 | -94.6 | 0 | 0 | 0 | 108 | E128 D132 | E128-H130 PolarHBondContact O-N 3.46Å; E128-H130 VanDerWaalsContact O-N 3.16Å; H130-D132 IonicContact CE1-OD1 3.05Å; H130-D132 PolarHBondContact CE1-OD1 3.41Å; H130-D132 IonicContact ND1-OD1 3.01Å; H130-D132 PolarHBondContact ND1-OD1 3.39Å; H130-D132 PolarHBondContact O-N 3.25Å | ||
| 131 | F | 55.9 | Low | 56.7 | Low | 157 Ų | 157 | 133.3 Ų | 133.3 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | trans | -78.7 | 105.8 | 171.5 | -74.4 | -87.3 | 0 | 0 | 0 | 108.4 | V129 L133 | V129-F131 HydrophobicContact CB-CD2 4.3Å; V129-F131 HydrophobicContact CB-CE2 3.91Å; V129-F131 HydrophobicContact CB-CZ 4.45Å; V129-F131 HydrophobicContact CG1-CD2 3.95Å; V129-F131 HydrophobicContact CG1-CE1 4.28Å; V129-F131 HydrophobicContact CG1-CE2 3.65Å; V129-F131 HydrophobicContact CG1-CG 4.39Å; V129-F131 HydrophobicContact CG1-CZ 3.83Å; V129-F131 WeakPolarHBondContact O-CD2 3.44Å; V129-F131 PolarHBondContact O-N 3.16Å; F131-L133 VanDerWaalsContact C-N 3.3Å; F131-L133 HydrophobicContact CB-CG 4.27Å; F131-L133 PolarHBondContact O-N 3.18Å | ||
| 132 | D | 63.6 | Low | 57.3 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | trans | -69 | 89.9 | 166.4 | -71 | -40.8 | 0 | 0 | 0 | 108.8 | H130 L134 | H130-D132 IonicContact CE1-OD1 3.05Å; H130-D132 PolarHBondContact CE1-OD1 3.41Å; H130-D132 IonicContact ND1-OD1 3.01Å; H130-D132 PolarHBondContact ND1-OD1 3.39Å; H130-D132 PolarHBondContact O-N 3.25Å; D132-L134 PolarHBondContact O-N 3.14Å; D132-L134 VanDerWaalsContact O-N 3.1Å | ||
| 133 | L | 63.6 | Low | 57.7 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 46.1 | 178.1 | -75.6 | 175.1 | 0 | 0 | 0 | 113 | F131 | F131-L133 VanDerWaalsContact C-N 3.3Å; F131-L133 HydrophobicContact CB-CG 4.27Å; F131-L133 PolarHBondContact O-N 3.18Å |
| 134 | L | 59.3 | Low | 58 | Low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -0.5 | 177.2 | -93.2 | 141.1 | 0 | 0 | 0 | 115.2 | D132 | D132-L134 PolarHBondContact O-N 3.14Å; D132-L134 VanDerWaalsContact O-N 3.1Å |
| 135 | D | 57.8 | Low | 58.3 | Low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.6 | 3.8 | -173.3 | -113.2 | 25.1 | 0 | 0 | 0 | 116.2 | ||
| 136 | L | 55.4 | Low | 58.9 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -109.6 | 0.6 | -178.9 | -87.9 | 101.9 | 0 | 0 | 0 | 116.1 | ||
| 137 | T | 55.1 | Low | 58.7 | Low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -80.5 | -24.4 | 167.3 | -82.7 | 0 | 0 | 0 | 0 | 112.2 | L139 | T137-L139 PolarHBondContact O-N 2.8Š|
| 138 | E | 56 | Low | 58.3 | Low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -8.8 | -178.8 | -88.2 | -168.7 | 136.6 | 0 | 0 | 115.2 | ||
| 139 | L | 53.4 | Low | 57.5 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 5 | -176.8 | -68.7 | 177.3 | 0 | 0 | 0 | 115.4 | T137 | T137-L139 PolarHBondContact O-N 2.8Š|
| 140 | T | 54.6 | Low | 57.1 | Low | 106 Ų | 106 | 143.1 Ų | 143.1 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -96.6 | -10.3 | 176.1 | -57 | 0 | 0 | 0 | 0 | 113.2 | M142 | T140-M142 VanDerWaalsContact C-N 3.34Å; T140-M142 PolarHBondContact O-N 2.93Å |
| 141 | D | 53.4 | Low | 56.3 | Low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 23.5 | -170 | -153.5 | 21.6 | 0 | 0 | 0 | 115.5 | ||
| 142 | M | 60.8 | Low | 56.2 | Low | 192 Ų | 192 | 141.4 Ų | 141.4 | 95% | 0.946 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 19.3 | 177.1 | -66.8 | -164.6 | -144.6 | 0 | 0 | 115.3 | T140 | T140-M142 VanDerWaalsContact C-N 3.34Å; T140-M142 PolarHBondContact O-N 2.93Å |
| 143 | S | 58.3 | Low | 55.6 | Low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -104.6 | -11.1 | -178 | -176.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 144 | D | 54.2 | Low | 55.1 | Low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -106 | 14.8 | -157.1 | -66.9 | -4 | 0 | 0 | 0 | 115.7 | ||
| 145 | Q | 57.4 | Low | 55 | Low | 168 Ų | 168 | 140.6 Ų | 140.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -103.2 | -1.9 | -171.2 | -161.8 | 149.8 | 11.6 | 0 | 0 | 118.1 | ||
| 146 | E | 57.1 | Low | 54.8 | Low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -121.4 | 3.4 | -171.6 | -73.5 | -137.4 | 133.1 | 0 | 0 | 118.5 | ||
| 147 | L | 50.7 | Low | 54.4 | Low | 160 Ų | 160 | 144.9 Ų | 144.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -104.4 | -5.5 | -176.4 | -122.4 | 95.8 | 0 | 0 | 0 | 116.9 | ||
| 148 | A | 55.1 | Low | 53.6 | Low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -92.8 | -9.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 149 | E | 53.3 | Low | 53 | Low | 160 Ų | 160 | 145.1 Ų | 145.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -102.4 | -2.6 | -168 | -48.5 | -154.1 | -167.1 | 0 | 0 | 114.7 | ||
| 150 | V | 55.9 | Low | 52.5 | Low | 110 Ų | 110 | 148.5 Ų | 148.5 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -90.7 | -14.1 | -178.4 | 160.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 151 | F | 51.4 | Low | 51.5 | Low | 182 Ų | 182 | 152.5 Ų | 152.5 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -117.3 | 11.4 | -173.1 | -62.8 | -71.9 | 0 | 0 | 0 | 115.4 | ||
| 152 | A | 54.4 | Low | 50.7 | Low | 92 Ų | 92 | 150.4 Ų | 150.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -92.5 | 2.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 153 | D | 49.3 | Very low | 50.5 | Low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -136.8 | 76.9 | 179.8 | -160.1 | 34.8 | 0 | 0 | 0 | 112 | ||||
| 154 | S | 53.5 | Low | 49.4 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -157.2 | 48.9 | 155.1 | -87.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 155 | D | 58.1 | Low | 48.5 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -113.8 | 106.8 | 155.9 | -68.9 | -38.9 | 0 | 0 | 0 | 106.1 | ||||
| 156 | E | 54.1 | Low | 48.1 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 160 | 136.2 | 130.8 | -158.1 | 68.7 | -171.8 | 0 | 0 | 112.3 | ||||
| 157 | E | 46.7 | Very low | 47.1 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | 118.2 | 96.7 | 151.8 | -152.8 | -176.9 | 154.8 | 0 | 0 | 116.1 | ||||
| 158 | N | 37 | Very low | 46.7 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 58% | 0.578 | 79% | 0.792 | S | S | * | * | 179.1 | 113.5 | 90.7 | -144.8 | -54 | 0 | 0 | 0 | 112.2 | |||||
| 159 | H | 45.1 | Very low | 46 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -75.4 | 107.4 | 160.9 | -98.4 | -75.7 | 0 | 0 | 0 | 110.6 | ||||
| 160 | R | 41.5 | Very low | 45.6 | Very low | 221 Ų | 221 | 140 Ų | 140 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -158.8 | 131.4 | 148.2 | -59.1 | -161.2 | -179 | 178.4 | 3.3 | 105.8 | ||||
| 161 | E | 34.3 | Very low | 45 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | cis | -172.7 | 151.4 | 28.7 | -159.8 | 168.1 | 174.4 | 0 | 0 | 106.7 | ||||
| 162 | S | 35.7 | Very low | 44.7 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -79.7 | -173.3 | 174.8 | -150.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 163 | P | 58.1 | Low | 44.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -135.9 | -174.9 | -14.7 | 18.2 | 8.7 | 0 | 0 | 0 | 114.8 | ||||
| 164 | A | 35.1 | Very low | 44.4 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | 100.3 | 126.3 | 150 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 165 | G | 34.5 | Very low | 44 | Very low | 77 Ų | 77 | 147.4 Ų | 147.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | -170 | 135.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 166 | K | 48.7 | Very low | 43.3 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -113.5 | 111.3 | 158.5 | -70 | 177.3 | 179.7 | 176.2 | 0 | 106.1 | ||||
| 167 | T | 36.3 | Very low | 42.9 | Very low | 147 Ų | 147 | 141 Ų | 141 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -167.1 | 130.4 | 141.3 | -5.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 168 | C | 43.1 | Very low | 42.8 | Very low | 117 Ų | 117 | 146 Ų | 146 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -49.1 | 134 | 153.3 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 169 | A | 40.8 | Very low | 43 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 84% | 0.839 | S | S | * | * | trans | -153.1 | 111.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V171 | A169-V171 PolarHBondContact O-N 3.04Š| ||
| 170 | T | 44 | Very low | 42.9 | Very low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -56.3 | 118.7 | 157.4 | 3.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 171 | V | 42.5 | Very low | 43 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -143.2 | 116.1 | 154.9 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | A169 V173 | A169-V171 PolarHBondContact O-N 3.04Å; V171-V173 HydrophobicContact CG1-CG2 4.15Å | ||
| 172 | N | 46.3 | Very low | 43.5 | Very low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -69.8 | 125.7 | 163.3 | -75.8 | -60.7 | 0 | 0 | 0 | 109.7 | ||||
| 173 | V | 47.2 | Very low | 44 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 79% | 0.788 | 84% | 0.842 | S | S | * | * | trans | -144.2 | 126.3 | 152.6 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | V171 | V171-V173 HydrophobicContact CG1-CG2 4.15Š| ||
| 174 | K | 51 | Low | 43.1 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.826 | 85% | 0.849 | S | S | * | * | trans | -65.9 | 151.2 | 167.8 | -108.1 | 170.8 | 170 | 177.4 | 0 | 111.4 | ||||
| 175 | E | 43.1 | Very low | 43.7 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | trans | 133.7 | 132.2 | 157 | -80.4 | -176.5 | 163 | 0 | 0 | 108.3 | ||||
| 176 | G | 44.9 | Very low | 44.4 | Very low | 69 Ų | 69 | 150.8 Ų | 150.8 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | cis | 140.4 | 132.8 | 16.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 177 | S | 46.1 | Very low | 44 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 90% | 0.895 | 85% | 0.848 | S | S | * | * | trans | 64.3 | 137.6 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 178 | K | 42.9 | Very low | 44.7 | Very low | 273 Ų | 273 | 146.5 Ų | 146.5 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | cis | -159.5 | 0 | 30.4 | -150.5 | 177 | -169.8 | -179.7 | 0 | 109.4 |
Retrieved 178 of 178 residues in 195.2 ms
(Link to these results)