| 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 | 37 | Very low | 52.8 | Low | 243 Ų | 243 | 131.8 Ų | 131.8 | 100% | 1.197 | 71% | 0.714 | S | S | * | * | 0 | 113.4 | 0 | -79 | 152.4 | 75.5 | 0 | 0 | 107.7 | |||||
| 2 | S | 50.5 | Low | 53.2 | Low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | 45.4 | 92.9 | 163.7 | -70 | 0 | 0 | 0 | 0 | 117.8 | G4 | S2-G4 PolarHBondContact O-N 3.3Š| ||
| 3 | D | 50.6 | Low | 53.5 | Low | 177 Ų | 177 | 127.9 Ų | 127.9 | 95% | 0.947 | 69% | 0.688 | S | S | * | * | trans | -63.3 | 59.9 | 145.4 | -62.3 | -59 | 0 | 0 | 0 | 109.7 | K5 | D3-K5 PolarHBondContact O-N 2.68Š| ||
| 4 | G | 50.2 | Low | 53.7 | Low | 55 Ų | 55 | 124.8 Ų | 124.8 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | trans | -85.3 | 23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2 T6 | S2-G4 PolarHBondContact O-N 3.3Å; G4-T6 PolarHBondContact O-N 3.19Å | ||
| 5 | K | 48 | Very low | 53.6 | Low | 184 Ų | 184 | 127.8 Ų | 127.8 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | -77.5 | 72.8 | 171.9 | -74.6 | -177.5 | 179 | 175.3 | 0 | 109 | D3 | D3-K5 PolarHBondContact O-N 2.68Š| ||
| 6 | T | 58.8 | Low | 53.7 | Low | 69 Ų | 69 | 125.7 Ų | 125.7 | 42% | 0.423 | 68% | 0.683 | S | S | . | * | trans | 39 | 98.5 | 145.8 | 46.3 | 0 | 0 | 0 | 0 | 116.8 | G4 M8 Q9 | G4-T6 PolarHBondContact O-N 3.19Å; T6-M8 PolarHBondContact O-N 3.06Å; T6-Q9 WeakPolarHBondContact O-CB 3.32Å; T6-Q9 PolarHBondContact O-N 3.2Å | ||
| 7 | L | 51.9 | Low | 53.2 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 71% | 0.707 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -41.4 | -31.9 | 158.1 | -163.4 | 80.9 | 0 | 0 | 0 | 112.6 | Q9 T10 M11 | L7-Q9 PolarHBondContact O-N 2.64Å; L7-T10 PolarHBondContact O-N 2.94Å; L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.5Å |
| 8 | M | 57.5 | Low | 52.7 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.2 | -32.4 | 175.2 | -68 | -166.5 | 80.3 | 0 | 0 | 114.3 | T6 K12 | T6-M8 PolarHBondContact O-N 3.06Å; M8-K12 WeakPolarHBondContact O-CB 3.45Å; M8-K12 WeakPolarHBondContact O-CG 3.44Å; M8-K12 PolarHBondContact O-N 3.13Å |
| 9 | Q | 56.6 | Low | 52.3 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 60% | 0.603 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.6 | -39.9 | 172.9 | -88.9 | -176.2 | -16.4 | 0 | 0 | 111.1 | T6 L7 K12 S13 | T6-Q9 WeakPolarHBondContact O-CB 3.32Å; T6-Q9 PolarHBondContact O-N 3.2Å; L7-Q9 PolarHBondContact O-N 2.64Å; Q9-K12 PolarHBondContact O-N 3.27Å; Q9-S13 WeakPolarHBondContact O-CB 3.19Å; Q9-S13 PolarHBondContact O-N 2.93Å |
| 10 | T | 63.9 | Low | 52.1 | Low | 90 Ų | 90 | 126.3 Ų | 126.3 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | L7 S13 S14 | L7-T10 PolarHBondContact O-N 2.94Å; T10-S13 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-N 3.11Å; T10-S14 VanDerWaalsContact O-N 3.07Å |
| 11 | M | 55.9 | Low | 51.8 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.5 | -49.4 | 175.8 | -74.4 | -178.1 | 145.2 | 0 | 0 | 110.9 | L7 S13 S14 F15 | L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.5Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S13 PolarHBondContact O-N 3.28Å; M11-S14 PolarHBondContact O-N 3.33Å; M11-F15 WeakPolarHBondContact O-CD2 3.3Å; M11-F15 PolarHBondContact O-N 3.39Å |
| 12 | K | 57.1 | Low | 52 | Low | 151 Ų | 151 | 125.3 Ų | 125.3 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -61.8 | -38.4 | 177.5 | -80.2 | -178.8 | 163.9 | -176.4 | 0 | 113.4 | M8 Q9 F15 S16 | M8-K12 WeakPolarHBondContact O-CB 3.45Å; M8-K12 WeakPolarHBondContact O-CG 3.44Å; M8-K12 PolarHBondContact O-N 3.13Å; Q9-K12 PolarHBondContact O-N 3.27Å; K12-F15 PolarHBondContact O-N 3.06Å; K12-S16 PolarHBondContact O-N 3.27Å |
| 13 | S | 57.5 | Low | 51.5 | Low | 62 Ų | 62 | 124.2 Ų | 124.2 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.8 | -39.1 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 112.5 | Q9 T10 M11 F15 S16 N17 | Q9-S13 WeakPolarHBondContact O-CB 3.19Å; Q9-S13 PolarHBondContact O-N 2.93Å; T10-S13 PolarHBondContact O-N 3.3Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S13 PolarHBondContact O-N 3.28Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-OG 3.27Å; S13-N17 PolarHBondContact O-N 3.06Å |
| 14 | S | 57 | Low | 50.9 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.5 | -34.4 | 173.7 | -75 | 0 | 0 | 0 | 0 | 112.3 | T10 M11 | T10-S14 PolarHBondContact O-N 3.11Å; T10-S14 VanDerWaalsContact O-N 3.07Å; M11-S14 PolarHBondContact O-N 3.33Å |
| 15 | F | 51.8 | Low | 50.4 | Low | 170 Ų | 170 | 125.6 Ų | 125.6 | 75% | 0.746 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.9 | -32.4 | 177.5 | -81.2 | -73.8 | 0 | 0 | 0 | 113.4 | M11 K12 S13 N17 | M11-F15 WeakPolarHBondContact O-CD2 3.3Å; M11-F15 PolarHBondContact O-N 3.39Å; K12-F15 PolarHBondContact O-N 3.06Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact O-N 3.37Å; F15-N17 VanDerWaalsContact C-N 3.33Å |
| 16 | S | 55.2 | Low | 50 | Low | 94 Ų | 94 | 124.7 Ų | 124.7 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.9 | -16.6 | 179.3 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | K12 S13 F18 | K12-S16 PolarHBondContact O-N 3.27Å; S13-S16 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-OG 3.27Å; S16-F18 PolarHBondContact O-N 2.93Å |
| 17 | N | 44.8 | Very low | 49.3 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 11.6 | 176.2 | -102.2 | -56.8 | 0 | 0 | 0 | 113.8 | S13 F15 P19 | S13-N17 PolarHBondContact O-N 3.06Å; F15-N17 VanDerWaalsContact C-N 3.33Å; N17-P19 WeakPolarHBondContact O-CD 3.43Å |
| 18 | F | 45.1 | Very low | 49.2 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 77% | 0.768 | 69% | 0.691 | S | S | * | * | trans | -83.9 | 105.2 | 173.3 | -130.8 | -98.8 | 0 | 0 | 0 | 109.1 | S16 | S16-F18 PolarHBondContact O-N 2.93Š| ||
| 19 | P | 45 | Very low | 48.8 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -63.5 | 145.7 | 178.8 | 26.9 | -33.6 | 0 | 0 | 0 | 109.7 | N17 H21 | N17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-H21 VanDerWaalsContact C-N 3.25Å; P19-H21 PolarHBondContact O-N 3.46Å | ||
| 20 | P | 48.2 | Very low | 48.2 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -70.5 | 86.4 | 179.4 | 29.4 | -32.7 | 0 | 0 | 0 | 108.6 | Q22 | P20-Q22 PolarHBondContact O-N 2.84Š| ||
| 21 | H | 44.5 | Very low | 47.4 | Very low | 175 Ų | 175 | 130 Ų | 130 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -69.9 | 105.7 | 173.4 | -127.5 | -79.8 | 0 | 0 | 0 | 107 | P19 A23 | P19-H21 VanDerWaalsContact C-N 3.25Å; P19-H21 PolarHBondContact O-N 3.46Å; H21-A23 PolarHBondContact O-N 3.5Å | ||
| 22 | Q | 41.2 | Very low | 46.8 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -48 | 130.9 | 176 | -62.4 | -161.6 | 45.9 | 0 | 0 | 109.3 | P20 N24 | P20-Q22 PolarHBondContact O-N 2.84Å; Q22-N24 PolarHBondContact O-N 2.83Å | ||
| 23 | A | 41.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | -62.9 | 74 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H21 | H21-A23 PolarHBondContact O-N 3.5Š| ||
| 24 | N | 36.6 | Very low | 45.9 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -87.6 | 106.7 | 160.7 | -165.6 | -32.8 | 0 | 0 | 0 | 105.8 | Q22 H26 | Q22-N24 PolarHBondContact O-N 2.83Å; N24-H26 PolarHBondContact O-N 3.46Å | ||
| 25 | C | 40 | Very low | 45.4 | Very low | 121 Ų | 121 | 137 Ų | 137 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -65.9 | 58.6 | -177.2 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | H | 39.8 | Very low | 45.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -98.9 | 100.9 | 167.2 | -156.9 | 75.6 | 0 | 0 | 0 | 106.5 | N24 | N24-H26 PolarHBondContact O-N 3.46Š| ||
| 27 | S | 43.2 | Very low | 45.7 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -45.5 | 125.6 | -179.3 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 28 | P | 50 | Low | 46.3 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -60 | 141.2 | -175.1 | 22.2 | -31 | 0 | 0 | 0 | 110.1 | R30 | P28-R30 PolarHBondContact O-N 2.82Š| ||
| 29 | P | 49 | Very low | 47 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -57.8 | 135.5 | -177.3 | 22.2 | -31.6 | 0 | 0 | 0 | 110.3 | S31 | P29-S31 PolarHBondContact O-N 3.2Š| ||
| 30 | R | 43.9 | Very low | 48 | Very low | 248 Ų | 248 | 130.7 Ų | 130.7 | 94% | 0.936 | 70% | 0.7 | S | S | * | * | trans | -41.2 | 110.2 | 177.5 | -79.5 | -179.2 | -179.6 | -134.1 | 0.4 | 109.9 | P28 P32 | P28-R30 PolarHBondContact O-N 2.82Å; R30-P32 WeakPolarHBondContact O-CD 3.17Å | ||
| 31 | S | 48.6 | Very low | 49.2 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | trans | -64.1 | 125.4 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 110.2 | P29 | P29-S31 PolarHBondContact O-N 3.2Š| ||
| 32 | P | 43.6 | Very low | 50.6 | Low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -78.6 | 138.3 | 178.2 | -13.5 | 29.6 | 0 | 0 | 0 | 112.8 | R30 | R30-P32 WeakPolarHBondContact O-CD 3.17Š| ||
| 33 | I | 46.8 | Very low | 51.8 | Low | 150 Ų | 150 | 124.5 Ų | 124.5 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | 69.9 | 104.1 | 155.4 | -39.9 | 176.3 | 0 | 0 | 0 | 115.8 | H35 | I33-H35 PolarHBondContact O-N 3.17Š| ||
| 34 | H | 48 | Very low | 53.1 | Low | 177 Ų | 177 | 126.4 Ų | 126.4 | 82% | 0.819 | 66% | 0.659 | S | S | * | * | trans | -55.9 | 89.2 | 173.9 | -54.6 | -94.4 | 0 | 0 | 0 | 112.3 | W36 | H34-W36 PolarHBondContact O-N 3.44Š| ||
| 35 | H | 47.6 | Very low | 54.8 | Low | 119 Ų | 119 | 124 Ų | 124 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | trans | -76.2 | 87.9 | 154.9 | 67.5 | 100.8 | 0 | 0 | 0 | 106.5 | I33 E37 | I33-H35 PolarHBondContact O-N 3.17Å; H35-E37 IonicContact CE1-OE1 2.9Å; H35-E37 IonicContact CG-OE1 3.3Å; H35-E37 IonicContact ND1-OE1 3.21Å; H35-E37 PolarHBondContact ND1-OE1 2.92Å; H35-E37 PolarHBondContact O-N 3.42Å | ||
| 36 | W | 51.4 | Low | 56.1 | Low | 142 Ų | 142 | 124 Ų | 124 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | trans | -69.7 | 125.2 | 171.1 | 55.8 | -92.4 | 0 | 0 | 0 | 106.4 | H34 T39 | H34-W36 PolarHBondContact O-N 3.44Å; W36-T39 HydrophobicContact CB-CG2 4.42Å; W36-T39 HydrophobicContact CD2-CG2 3.17Å; W36-T39 HydrophobicContact CE3-CG2 3.04Å; W36-T39 HydrophobicContact CG-CG2 3.83Å; W36-T39 HydrophobicContact CH2-CG2 4.01Å; W36-T39 WeakPolarHBondContact CH2-OG1 3.38Å; W36-T39 HydrophobicContact CZ2-CG2 4.05Å; W36-T39 WeakPolarHBondContact CZ2-OG1 3.24Å; W36-T39 HydrophobicContact CZ3-CG2 3.54Å; W36-T39 WeakPolarHBondContact CZ3-OG1 3.23Å | ||
| 37 | E | 60.6 | Low | 57.3 | Low | 146 Ų | 146 | 116.9 Ų | 116.9 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -90.5 | -7.2 | -178.4 | -63.5 | -63.7 | 136.6 | 0 | 0 | 111.8 | H35 | H35-E37 IonicContact CE1-OE1 2.9Å; H35-E37 IonicContact CG-OE1 3.3Å; H35-E37 IonicContact ND1-OE1 3.21Å; H35-E37 PolarHBondContact ND1-OE1 2.92Å; H35-E37 PolarHBondContact O-N 3.42Å |
| 38 | F | 58 | Low | 58.4 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | trans | -136.9 | 77.3 | -175.5 | -151.5 | -84.2 | 0 | 0 | 0 | 113.5 | A40 L43 | F38-A40 HydrophobicContact CE1-CB 4.5Å; F38-L43 HydrophobicContact CD1-CB 4.43Å; F38-L43 HydrophobicContact CD1-CD2 3.44Å; F38-L43 VanDerWaalsContact CD1-CD2 3.44Å; F38-L43 HydrophobicContact CD1-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 3.69Å; F38-L43 HydrophobicContact CE1-CD1 4.09Å; F38-L43 HydrophobicContact CE1-CD2 3.22Å; F38-L43 HydrophobicContact CE1-CG 3.78Å; F38-L43 HydrophobicContact CZ-CD2 4.45Å | ||
| 39 | T | 59.1 | Low | 59.2 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 34% | 0.344 | 60% | 0.596 | S | S | . | * | trans | -125.9 | 67.8 | 157.8 | 95.2 | 0 | 0 | 0 | 0 | 108.2 | W36 E41 | W36-T39 HydrophobicContact CB-CG2 4.42Å; W36-T39 HydrophobicContact CD2-CG2 3.17Å; W36-T39 HydrophobicContact CE3-CG2 3.04Å; W36-T39 HydrophobicContact CG-CG2 3.83Å; W36-T39 HydrophobicContact CH2-CG2 4.01Å; W36-T39 WeakPolarHBondContact CH2-OG1 3.38Å; W36-T39 HydrophobicContact CZ2-CG2 4.05Å; W36-T39 WeakPolarHBondContact CZ2-OG1 3.24Å; W36-T39 HydrophobicContact CZ3-CG2 3.54Å; W36-T39 WeakPolarHBondContact CZ3-OG1 3.23Å; T39-E41 PolarHBondContact O-N 3.41Å | ||
| 40 | A | 66.8 | Low | 60 | Low | 43 Ų | 43 | 120.3 Ų | 120.3 | 36% | 0.355 | 58% | 0.583 | S | S | . | * | trans | -63.1 | 121.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | F38 D42 L43 Q44 | F38-A40 HydrophobicContact CE1-CB 4.5Å; A40-D42 PolarHBondContact O-N 2.91Å; A40-L43 HydrophobicContact CB-CB 4.38Å; A40-L43 PolarHBondContact O-N 3.24Å; A40-Q44 PolarHBondContact O-N 2.85Å | ||
| 41 | E | 74.1 | Confident | 61 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -52.5 | -38 | 175.2 | -178.4 | 176.3 | -153.2 | 0 | 0 | 110.7 | T39 L43 Q44 L45 | T39-E41 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.48Å; E41-Q44 PolarHBondContact O-N 3.49Å; E41-Q44 VanDerWaalsContact O-N 3.09Å; E41-L45 WeakPolarHBondContact O-CB 3.49Å; E41-L45 PolarHBondContact O-N 3.25Å |
| 42 | D | 73.4 | Confident | 61.8 | Low | 129 Ų | 129 | 114.5 Ų | 114.5 | 69% | 0.69 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.7 | -38.5 | 175.4 | -62.1 | -54.6 | 0 | 0 | 0 | 113.2 | A40 F46 | A40-D42 PolarHBondContact O-N 2.91Å; D42-F46 VanDerWaalsContact O-CB 3.27Å; D42-F46 WeakPolarHBondContact O-CB 3.44Å; D42-F46 PolarHBondContact O-N 3.37Å |
| 43 | L | 65.7 | Low | 62.9 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 30% | 0.304 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.6 | -43.8 | 175.7 | -174.1 | 81 | 0 | 0 | 0 | 110.2 | F38 A40 E41 L45 F46 C47 | F38-L43 HydrophobicContact CD1-CB 4.43Å; F38-L43 HydrophobicContact CD1-CD2 3.44Å; F38-L43 VanDerWaalsContact CD1-CD2 3.44Å; F38-L43 HydrophobicContact CD1-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 3.69Å; F38-L43 HydrophobicContact CE1-CD1 4.09Å; F38-L43 HydrophobicContact CE1-CD2 3.22Å; F38-L43 HydrophobicContact CE1-CG 3.78Å; F38-L43 HydrophobicContact CZ-CD2 4.45Å; A40-L43 HydrophobicContact CB-CB 4.38Å; A40-L43 PolarHBondContact O-N 3.24Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 2.97Å; L43-F46 PolarHBondContact O-N 3.31Å; L43-C47 WeakPolarHBondContact O-CB 3.22Å; L43-C47 PolarHBondContact O-N 3.5Å; L43-C47 PolarHBondContact O-SG 2.93Å |
| 44 | Q | 70.2 | Confident | 63.6 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -41.5 | 179.6 | -170 | 178.2 | 33.7 | 0 | 0 | 110.9 | A40 E41 C47 R48 | A40-Q44 PolarHBondContact O-N 2.85Å; E41-Q44 PolarHBondContact O-N 3.49Å; E41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-C47 PolarHBondContact O-N 2.85Å; Q44-R48 VanDerWaalsContact O-CB 3.3Å; Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 PolarHBondContact O-N 3.38Å |
| 45 | L | 72.4 | Confident | 64.2 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -44.2 | 174.5 | -175.5 | 60.7 | 0 | 0 | 0 | 111.5 | E41 L43 R48 N49 | E41-L45 WeakPolarHBondContact O-CB 3.49Å; E41-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 2.97Å; L45-R48 PolarHBondContact O-N 2.92Å; L45-N49 WeakPolarHBondContact O-CB 3.49Å; L45-N49 PolarHBondContact O-N 3.22Å |
| 46 | F | 66.2 | Low | 64.8 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.1 | -47.2 | 175.6 | 179.7 | -92.5 | 0 | 0 | 0 | 111.9 | D42 L43 R48 N49 N50 | D42-F46 VanDerWaalsContact O-CB 3.27Å; D42-F46 WeakPolarHBondContact O-CB 3.44Å; D42-F46 PolarHBondContact O-N 3.37Å; L43-F46 PolarHBondContact O-N 3.31Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.99Å; F46-N49 PolarHBondContact O-N 3.05Å; F46-N50 VanDerWaalsContact CD2-ND2 3.3Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.28Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.5Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.41Å; F46-N50 PolarHBondContact O-ND2 2.97Å |
| 47 | C | 65.5 | Low | 65.1 | Low | 17 Ų | 17 | 107.5 Ų | 107.5 | 12% | 0.115 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -60 | -44.1 | 176.2 | -79.5 | 0 | 0 | 0 | 0 | 111.3 | L43 Q44 N50 L51 A52 | L43-C47 WeakPolarHBondContact O-CB 3.22Å; L43-C47 PolarHBondContact O-N 3.5Å; L43-C47 PolarHBondContact O-SG 2.93Å; Q44-C47 PolarHBondContact O-N 2.85Å; C47-N50 PolarHBondContact O-N 3.01Å; C47-L51 CarbonylContact O-C 3.59Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L51 VanDerWaalsContact O-N 3.1Å; C47-A52 CarbonylContact C-O 3.59Å; C47-A52 VanDerWaalsContact CB-O 3.23Å; C47-A52 WeakPolarHBondContact CB-O 3.45Å; C47-A52 PolarHBondContact O-N 3.01Å |
| 48 | R | 65.4 | Low | 65.1 | Low | 202 Ų | 202 | 103.1 Ų | 103.1 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 176.4 | -173.7 | 177.2 | -177.8 | 167.2 | 0.4 | 112.1 | Q44 L45 F46 L51 | Q44-R48 VanDerWaalsContact O-CB 3.3Å; Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 PolarHBondContact O-N 3.38Å; L45-R48 PolarHBondContact O-N 2.92Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.99Å; R48-L51 PolarHBondContact O-N 3.49Å |
| 49 | N | 66.6 | Low | 65.1 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.3 | -32.1 | -178.1 | -70.3 | -9.2 | 0 | 0 | 0 | 112.8 | L45 F46 | L45-N49 WeakPolarHBondContact O-CB 3.49Å; L45-N49 PolarHBondContact O-N 3.22Å; F46-N49 PolarHBondContact O-N 3.05Å |
| 50 | N | 66.1 | Low | 64.9 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | 9.9 | 178.6 | -67.7 | -87.7 | 0 | 0 | 0 | 113.1 | F46 C47 A52 | F46-N50 VanDerWaalsContact CD2-ND2 3.3Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.28Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.5Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.41Å; F46-N50 PolarHBondContact O-ND2 2.97Å; C47-N50 PolarHBondContact O-N 3.01Å; N50-A52 PolarHBondContact O-N 3.2Å |
| 51 | L | 64.3 | Low | 64.8 | Low | 163 Ų | 163 | 110.9 Ų | 110.9 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 27.8 | -174.7 | -57.3 | 175.7 | 0 | 0 | 0 | 113.2 | C47 R48 | C47-L51 CarbonylContact O-C 3.59Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L51 VanDerWaalsContact O-N 3.1Å; R48-L51 PolarHBondContact O-N 3.49Å |
| 52 | A | 67.3 | Low | 64.1 | Low | 47 Ų | 47 | 107.9 Ų | 107.9 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | trans | -90.4 | 127.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | C47 N50 S54 | C47-A52 CarbonylContact C-O 3.59Å; C47-A52 VanDerWaalsContact CB-O 3.23Å; C47-A52 WeakPolarHBondContact CB-O 3.45Å; C47-A52 PolarHBondContact O-N 3.01Å; N50-A52 PolarHBondContact O-N 3.2Å; A52-S54 PolarHBondContact O-N 2.85Å | ||
| 53 | K | 64.9 | Low | 63.8 | Low | 192 Ų | 192 | 109 Ų | 109 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | trans | -76.7 | 120.3 | 174.1 | -66.9 | 175.8 | -177.3 | 163.3 | 0 | 108.6 | A55 | K53-A55 PolarHBondContact O-N 3.46Å; K53-A55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | S | 62 | Low | 63.6 | Low | 63 Ų | 63 | 108.1 Ų | 108.1 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | trans | -71.9 | 105.5 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | A52 Q56 | A52-S54 PolarHBondContact O-N 2.85Å; S54-Q56 PolarHBondContact O-N 3.45Å | ||
| 55 | A | 61.2 | Low | 63.6 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 72% | 0.719 | 55% | 0.549 | S | S | * | . | trans | -80.5 | 97.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | K53 V57 | K53-A55 PolarHBondContact O-N 3.46Å; K53-A55 VanDerWaalsContact O-N 3.14Å; A55-V57 PolarHBondContact O-N 3.35Å | ||
| 56 | Q | 59.5 | Low | 63.6 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | trans | -74.3 | 118.1 | 173.4 | -67.3 | -171.8 | -32.3 | 0 | 0 | 108.9 | S54 | S54-Q56 PolarHBondContact O-N 3.45Š| ||
| 57 | V | 58.8 | Low | 63.8 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | trans | -107.7 | 131.5 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 110 | A55 Y61 S64 | A55-V57 PolarHBondContact O-N 3.35Å; V57-Y61 HydrophobicContact CG1-CD2 4.21Å; V57-Y61 HydrophobicContact CG1-CG 4.45Å; V57-S64 WeakPolarHBondContact CB-OG 3.29Å; V57-S64 WeakPolarHBondContact CG1-OG 3.47Å; V57-S64 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 58 | S | 59.5 | Low | 64.3 | Low | 55 Ų | 55 | 102.2 Ų | 102.2 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | trans | -61.1 | 142.5 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | Y60 Y61 | S58-Y60 PolarHBondContact O-N 2.9Å; S58-Y61 PolarHBondContact O-N 3.31Å; S58-Y61 VanDerWaalsContact O-N 3.08Å | ||
| 59 | P | 59 | Low | 64.8 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -23.3 | -179.2 | -26.8 | 33.4 | 0 | 0 | 0 | 114.8 | Y61 | P59-Y61 PolarHBondContact O-N 3.37Š|
| 60 | Y | 55 | Low | 65.4 | Low | 165 Ų | 165 | 100.1 Ų | 100.1 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.5 | -179.2 | -64.7 | -77.8 | 0 | 0 | 0 | 114.8 | S58 P62 | S58-Y60 PolarHBondContact O-N 2.9Å; Y60-P62 VanDerWaalsContact C-CD 3.43Å; Y60-P62 WeakPolarHBondContact O-CD 3.35Å |
| 61 | Y | 62.9 | Low | 65.8 | Low | 143 Ų | 143 | 101.3 Ų | 101.3 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | trans | -110.8 | 77.8 | 179.2 | -59.2 | -78.2 | 0 | 0 | 0 | 110.8 | V57 S58 P59 Q63 S64 | V57-Y61 HydrophobicContact CG1-CD2 4.21Å; V57-Y61 HydrophobicContact CG1-CG 4.45Å; S58-Y61 PolarHBondContact O-N 3.31Å; S58-Y61 VanDerWaalsContact O-N 3.08Å; P59-Y61 PolarHBondContact O-N 3.37Å; Y61-Q63 PolarHBondContact O-N 3.41Å; Y61-Q63 VanDerWaalsContact O-N 3.09Å; Y61-S64 PolarHBondContact O-N 2.9Å | ||
| 62 | P | 61.4 | Low | 66.6 | Low | 97 Ų | 97 | 96.8 Ų | 96.8 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.7 | -26.9 | 179.5 | 24.7 | -34.8 | 0 | 0 | 0 | 112.1 | Y60 S64 S65 G66 | Y60-P62 VanDerWaalsContact C-CD 3.43Å; Y60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-S64 VanDerWaalsContact C-N 3.29Å; P62-S64 PolarHBondContact O-N 2.88Å; P62-S65 PolarHBondContact O-N 3.06Å; P62-G66 PolarHBondContact O-N 2.84Å |
| 63 | Q | 66 | Low | 67.3 | Low | 151 Ų | 151 | 98.6 Ų | 98.6 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.5 | -45.4 | 172.1 | -69.4 | -178.6 | -40.5 | 0 | 0 | 111.2 | Y61 S65 G66 E67 | Y61-Q63 PolarHBondContact O-N 3.41Å; Y61-Q63 VanDerWaalsContact O-N 3.09Å; Q63-S65 PolarHBondContact O-N 3.01Å; Q63-G66 CarbonylContact O-C 3.49Å; Q63-G66 PolarHBondContact O-N 2.64Å; Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.34Å; Q63-E67 PolarHBondContact O-N 3Å |
| 64 | S | 62.1 | Low | 68.1 | Low | 40 Ų | 40 | 93 Ų | 93 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | -178 | -174.5 | 0 | 0 | 0 | 0 | 113.8 | V57 Y61 P62 G66 E67 A68 | V57-S64 WeakPolarHBondContact CB-OG 3.29Å; V57-S64 WeakPolarHBondContact CG1-OG 3.47Å; V57-S64 WeakPolarHBondContact CG2-OG 3.4Å; Y61-S64 PolarHBondContact O-N 2.9Å; P62-S64 VanDerWaalsContact C-N 3.29Å; P62-S64 PolarHBondContact O-N 2.88Å; S64-G66 VanDerWaalsContact C-N 3.34Å; S64-E67 PolarHBondContact O-N 3.33Å; S64-A68 PolarHBondContact O-N 2.95Å |
| 65 | S | 69 | Low | 68.9 | Low | 66 Ų | 66 | 91.6 Ų | 91.6 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 172.7 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | P62 Q63 E67 A68 E69 | P62-S65 PolarHBondContact O-N 3.06Å; Q63-S65 PolarHBondContact O-N 3.01Å; S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-A68 PolarHBondContact O-N 3.11Å; S65-A68 VanDerWaalsContact O-N 3.16Å; S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.14Å; S65-E69 PolarHBondContact OG-OE1 2.95Å |
| 66 | G | 73.3 | Confident | 70 | Confident | 17 Ų | 17 | 92.8 Ų | 92.8 | 18% | 0.175 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P62 Q63 S64 R70 | P62-G66 PolarHBondContact O-N 2.84Å; Q63-G66 CarbonylContact O-C 3.49Å; Q63-G66 PolarHBondContact O-N 2.64Å; S64-G66 VanDerWaalsContact C-N 3.34Å; G66-R70 VanDerWaalsContact O-CB 3.29Å; G66-R70 WeakPolarHBondContact O-CB 3.45Å; G66-R70 VanDerWaalsContact O-CG 3.3Å; G66-R70 WeakPolarHBondContact O-CG 3.47Å; G66-R70 PolarHBondContact O-N 2.98Å |
| 67 | E | 71.3 | Confident | 71.1 | Confident | 105 Ų | 105 | 88.7 Ų | 88.7 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.7 | -70.7 | -47 | 95.7 | 0 | 0 | 111.7 | Q63 S64 S65 R70 M71 | Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.34Å; Q63-E67 PolarHBondContact O-N 3Å; S64-E67 PolarHBondContact O-N 3.33Å; S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.03Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.68Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.28Å; E67-R70 IonicContact OE1-NH2 3.71Å; E67-R70 PolarHBondContact OE1-NH2 3.38Å; E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.36Å |
| 68 | A | 74 | Confident | 72.1 | Confident | 50 Ų | 50 | 86.1 Ų | 86.1 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S64 S65 R70 M71 V72 | S64-A68 PolarHBondContact O-N 2.95Å; S65-A68 PolarHBondContact O-N 3.11Å; S65-A68 VanDerWaalsContact O-N 3.16Å; A68-R70 PolarHBondContact O-N 3.43Å; A68-M71 PolarHBondContact O-N 2.85Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.95Å |
| 69 | E | 77.4 | Confident | 73.2 | Confident | 121 Ų | 121 | 84.4 Ų | 84.4 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 176 | -73 | 167.9 | -156.6 | 0 | 0 | 111.8 | S65 M71 V72 Q73 | S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.14Å; S65-E69 PolarHBondContact OG-OE1 2.95Å; E69-M71 VanDerWaalsContact C-N 3.33Å; E69-M71 PolarHBondContact O-N 3.04Å; E69-V72 PolarHBondContact O-N 3.44Å; E69-Q73 WeakPolarHBondContact O-CB 3.5Å; E69-Q73 PolarHBondContact O-N 3.37Å |
| 70 | R | 78.8 | Confident | 74.2 | Confident | 150 Ų | 150 | 86.8 Ų | 86.8 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 174.7 | -84 | -170.6 | -95.5 | -105.1 | 3.1 | 111.9 | G66 E67 A68 Q73 T74 | G66-R70 VanDerWaalsContact O-CB 3.29Å; G66-R70 WeakPolarHBondContact O-CB 3.45Å; G66-R70 VanDerWaalsContact O-CG 3.3Å; G66-R70 WeakPolarHBondContact O-CG 3.47Å; G66-R70 PolarHBondContact O-N 2.98Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.68Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.28Å; E67-R70 IonicContact OE1-NH2 3.71Å; E67-R70 PolarHBondContact OE1-NH2 3.38Å; A68-R70 PolarHBondContact O-N 3.43Å; R70-Q73 PolarHBondContact O-N 2.75Å; R70-T74 WeakPolarHBondContact O-CB 3.41Å; R70-T74 PolarHBondContact O-N 2.88Å; R70-T74 PolarHBondContact O-OG1 3.23Å |
| 71 | M | 75.1 | Confident | 75.4 | Confident | 119 Ų | 119 | 87 Ų | 87 | 59% | 0.586 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 177 | -174.5 | -178.5 | 69.5 | 0 | 0 | 111.3 | E67 A68 E69 Q73 T74 V75 | E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.36Å; A68-M71 PolarHBondContact O-N 2.85Å; E69-M71 VanDerWaalsContact C-N 3.33Å; E69-M71 PolarHBondContact O-N 3.04Å; M71-Q73 VanDerWaalsContact C-N 3.3Å; M71-Q73 PolarHBondContact O-N 3.18Å; M71-T74 WeakPolarHBondContact O-CB 3.01Å; M71-T74 PolarHBondContact O-N 3.4Å; M71-V75 WeakPolarHBondContact O-CG2 3.45Å; M71-V75 PolarHBondContact O-N 3.44Å |
| 72 | V | 79.7 | Confident | 76 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 42% | 0.418 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | A68 E69 T74 V75 K76 | A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.95Å; E69-V72 PolarHBondContact O-N 3.44Å; V72-T74 VanDerWaalsContact C-N 3.35Å; V72-V75 PolarHBondContact O-N 2.91Å; V72-K76 HydrophobicContact CG1-CD 4.07Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.31Å; V72-K76 PolarHBondContact O-N 2.96Å |
| 73 | Q | 82.8 | Confident | 76.6 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.3 | -172.3 | 58.5 | 34.3 | 0 | 0 | 111.5 | E69 R70 M71 V75 K76 D77 | E69-Q73 WeakPolarHBondContact O-CB 3.5Å; E69-Q73 PolarHBondContact O-N 3.37Å; R70-Q73 PolarHBondContact O-N 2.75Å; M71-Q73 VanDerWaalsContact C-N 3.3Å; M71-Q73 PolarHBondContact O-N 3.18Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; Q73-V75 PolarHBondContact O-N 3.22Å; Q73-K76 PolarHBondContact O-N 3.31Å; Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.16Å; Q73-D77 PolarHBondContact NE2-OD2 3.06Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3Å |
| 74 | T | 81.4 | Confident | 76.9 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | R70 M71 V72 D77 S78 | R70-T74 WeakPolarHBondContact O-CB 3.41Å; R70-T74 PolarHBondContact O-N 2.88Å; R70-T74 PolarHBondContact O-OG1 3.23Å; M71-T74 WeakPolarHBondContact O-CB 3.01Å; M71-T74 PolarHBondContact O-N 3.4Å; V72-T74 VanDerWaalsContact C-N 3.35Å; T74-D77 PolarHBondContact O-N 3.41Å; T74-S78 VanDerWaalsContact O-CB 3.32Å; T74-S78 WeakPolarHBondContact O-CB 3.28Å; T74-S78 PolarHBondContact O-N 2.88Å |
| 75 | V | 78.5 | Confident | 77.5 | Confident | 33 Ų | 33 | 88.9 Ų | 88.9 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61 | -49.3 | 174 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | M71 V72 Q73 D77 S78 L79 V94 N98 | M71-V75 WeakPolarHBondContact O-CG2 3.45Å; M71-V75 PolarHBondContact O-N 3.44Å; V72-V75 PolarHBondContact O-N 2.91Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; Q73-V75 PolarHBondContact O-N 3.22Å; V75-D77 VanDerWaalsContact C-N 3.33Å; V75-D77 PolarHBondContact O-N 2.76Å; V75-S78 PolarHBondContact O-N 3.38Å; V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 PolarHBondContact O-N 2.8Å; V75-V94 HydrophobicContact CB-CG1 4.36Å; V75-V94 HydrophobicContact CG1-CG1 3.98Å; V75-V94 HydrophobicContact CG2-CG1 4.35Å; V75-N98 VanDerWaalsContact CG2-ND2 3.28Å; V75-N98 WeakPolarHBondContact CG2-ND2 3.27Å |
| 76 | K | 84.9 | Confident | 78.2 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 179 | -74.7 | 171.9 | 178.4 | 175.9 | 0 | 111.5 | V72 Q73 L79 K80 | V72-K76 HydrophobicContact CG1-CD 4.07Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.31Å; V72-K76 PolarHBondContact O-N 2.96Å; Q73-K76 PolarHBondContact O-N 3.31Å; K76-L79 PolarHBondContact O-N 2.94Å; K76-K80 WeakPolarHBondContact O-CG 3.38Å; K76-K80 PolarHBondContact O-N 3.15Å |
| 77 | D | 83.2 | Confident | 78.6 | Confident | 50 Ų | 50 | 98.2 Ų | 98.2 | 27% | 0.267 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.7 | -34.4 | -178.8 | -68.1 | -25.8 | 0 | 0 | 0 | 112.2 | Q73 T74 V75 L79 K80 R81 | Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.16Å; Q73-D77 PolarHBondContact NE2-OD2 3.06Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3Å; T74-D77 PolarHBondContact O-N 3.41Å; V75-D77 VanDerWaalsContact C-N 3.33Å; V75-D77 PolarHBondContact O-N 2.76Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.3Å; D77-K80 PolarHBondContact O-N 2.83Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.89Å; D77-R81 WeakPolarHBondContact O-CG 3.45Å; D77-R81 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-N 3.13Å; D77-R81 PolarHBondContact O-NH1 3.41Å |
| 78 | S | 78.3 | Confident | 79.1 | Confident | 21 Ų | 21 | 97.1 Ų | 97.1 | 15% | 0.147 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 170.8 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | T74 V75 R81 T82 | T74-S78 VanDerWaalsContact O-CB 3.32Å; T74-S78 WeakPolarHBondContact O-CB 3.28Å; T74-S78 PolarHBondContact O-N 2.88Å; V75-S78 PolarHBondContact O-N 3.38Å; S78-R81 PolarHBondContact O-N 3.35Å; S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.84Å |
| 79 | L | 82.4 | Confident | 79.2 | Confident | 18 Ų | 18 | 98.2 Ų | 98.2 | 9% | 0.094 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66 | -43 | 178.5 | -168.1 | 49.5 | 0 | 0 | 0 | 111.1 | V75 K76 D77 R81 T82 W87 R90 | V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 PolarHBondContact O-N 2.8Å; K76-L79 PolarHBondContact O-N 2.94Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.3Å; L79-R81 PolarHBondContact O-N 2.87Å; L79-T82 PolarHBondContact O-N 3.4Å; L79-W87 HydrophobicContact CD1-CE3 4.13Å; L79-W87 HydrophobicContact CD1-CH2 4.49Å; L79-W87 HydrophobicContact CD1-CZ3 3.88Å; L79-W87 HydrophobicContact CD2-CE3 4.12Å; L79-W87 HydrophobicContact CD2-CH2 3.04Å; L79-W87 HydrophobicContact CD2-CZ2 3.8Å; L79-W87 HydrophobicContact CD2-CZ3 3.2Å; L79-W87 HydrophobicContact CG-CE3 4.34Å; L79-W87 HydrophobicContact CG-CH2 3.98Å; L79-W87 HydrophobicContact CG-CZ3 3.59Å; L79-R90 HydrophobicContact CD1-CB 3.58Å; L79-R90 PolarHBondContact O-NH2 2.8Å |
| 80 | K | 81.5 | Confident | 79.3 | Confident | 135 Ų | 135 | 94.9 Ų | 94.9 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.9 | -36.5 | 172.9 | -69.9 | 171.7 | -168.2 | 160.9 | 0 | 113 | K76 D77 | K76-K80 WeakPolarHBondContact O-CG 3.38Å; K76-K80 PolarHBondContact O-N 3.15Å; D77-K80 PolarHBondContact O-N 2.83Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.89Å |
| 81 | R | 80.4 | Confident | 79.4 | Confident | 169 Ų | 169 | 90.6 Ų | 90.6 | 64% | 0.638 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.5 | -39.6 | 179.1 | -71 | -171.6 | -59.1 | -93 | 4.3 | 113.1 | D77 S78 L79 M83 | D77-R81 WeakPolarHBondContact O-CG 3.45Å; D77-R81 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-N 3.13Å; D77-R81 PolarHBondContact O-NH1 3.41Å; S78-R81 PolarHBondContact O-N 3.35Å; L79-R81 PolarHBondContact O-N 2.87Å; R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 3.49Å |
| 82 | T | 75.2 | Confident | 79.5 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 27% | 0.27 | 45% | 0.453 | S | S | . | . | trans | -75.5 | 86.1 | 179.3 | -49.4 | 0 | 0 | 0 | 0 | 109 | S78 L79 Y84 R90 | S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.84Å; L79-T82 PolarHBondContact O-N 3.4Å; T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-R90 HydrophobicContact CG2-CB 4.34Å; T82-R90 HydrophobicContact CG2-CG 3.85Å; T82-R90 WeakPolarHBondContact O-CD 3.3Å; T82-R90 PolarHBondContact O-NE 2.84Å; T82-R90 PolarHBondContact O-NH2 3.1Å | ||
| 83 | M | 73 | Confident | 79.4 | Confident | 167 Ų | 167 | 88.4 Ų | 88.4 | 82% | 0.823 | 45% | 0.453 | S | S | * | . | trans | -81.9 | -10.1 | 179.1 | -66.5 | -154.2 | 74 | 0 | 0 | 113.9 | R81 | R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 3.49Å | ||
| 84 | Y | 71.8 | Confident | 79.2 | Confident | 213 Ų | 213 | 84.5 Ų | 84.5 | 84% | 0.835 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -98.1 | 131.4 | -173.5 | -158 | -96.4 | 0 | 0 | 0 | 112.1 | T82 | T82-Y84 VanDerWaalsContact C-N 3.31Š|
| 85 | G | 75.4 | Confident | 79.1 | Confident | 47 Ų | 47 | 85 Ų | 85 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 94.3 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R90 | G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.26Å |
| 86 | N | 83.5 | Confident | 78.8 | Confident | 128 Ų | 128 | 88.7 Ų | 88.7 | 68% | 0.684 | 45% | 0.452 | S | S | * | . | trans | -60.5 | 149.4 | 178.4 | -75.2 | -63.7 | 0 | 0 | 0 | 111.5 | S88 S89 R90 | N86-S88 VanDerWaalsContact C-N 3.26Å; N86-S88 PolarHBondContact O-N 2.92Å; N86-S89 WeakPolarHBondContact O-CB 3.39Å; N86-S89 PolarHBondContact O-N 3.33Å; N86-R90 WeakPolarHBondContact O-CG 3.29Å; N86-R90 PolarHBondContact O-N 3.48Å | ||
| 87 | W | 82 | Confident | 78.2 | Confident | 151 Ų | 151 | 86 Ų | 86 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -48.8 | -47 | 179.7 | 174.7 | -106.4 | 0 | 0 | 0 | 112.9 | L79 S89 R90 L91 | L79-W87 HydrophobicContact CD1-CE3 4.13Å; L79-W87 HydrophobicContact CD1-CH2 4.49Å; L79-W87 HydrophobicContact CD1-CZ3 3.88Å; L79-W87 HydrophobicContact CD2-CE3 4.12Å; L79-W87 HydrophobicContact CD2-CH2 3.04Å; L79-W87 HydrophobicContact CD2-CZ2 3.8Å; L79-W87 HydrophobicContact CD2-CZ3 3.2Å; L79-W87 HydrophobicContact CG-CE3 4.34Å; L79-W87 HydrophobicContact CG-CH2 3.98Å; L79-W87 HydrophobicContact CG-CZ3 3.59Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.85Å; W87-R90 PolarHBondContact O-N 3.14Å; W87-L91 PolarHBondContact O-N 2.9Å |
| 88 | S | 80.8 | Confident | 77.4 | Confident | 82 Ų | 82 | 86.2 Ų | 86.2 | 57% | 0.573 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 179.4 | -45.9 | 0 | 0 | 0 | 0 | 112.2 | N86 R90 L91 C92 | N86-S88 VanDerWaalsContact C-N 3.26Å; N86-S88 PolarHBondContact O-N 2.92Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-L91 PolarHBondContact O-N 3.38Å; S88-C92 WeakPolarHBondContact O-CB 3.23Å; S88-C92 PolarHBondContact O-N 3.28Å; S88-C92 PolarHBondContact O-SG 3.09Å |
| 89 | S | 77.3 | Confident | 76.9 | Confident | 73 Ų | 73 | 88.3 Ų | 88.3 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | N86 W87 C92 S93 | N86-S89 WeakPolarHBondContact O-CB 3.39Å; N86-S89 PolarHBondContact O-N 3.33Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.85Å; S89-C92 PolarHBondContact O-N 3.5Å; S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.33Å |
| 90 | R | 78.3 | Confident | 75.6 | Confident | 51 Ų | 51 | 91.5 Ų | 91.5 | 19% | 0.192 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176.8 | -64.2 | 165.6 | 58.2 | -179.7 | 10.6 | 111 | L79 T82 G85 N86 W87 S88 S93 V94 | L79-R90 HydrophobicContact CD1-CB 3.58Å; L79-R90 PolarHBondContact O-NH2 2.8Å; T82-R90 HydrophobicContact CG2-CB 4.34Å; T82-R90 HydrophobicContact CG2-CG 3.85Å; T82-R90 WeakPolarHBondContact O-CD 3.3Å; T82-R90 PolarHBondContact O-NE 2.84Å; T82-R90 PolarHBondContact O-NH2 3.1Å; G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.26Å; N86-R90 WeakPolarHBondContact O-CG 3.29Å; N86-R90 PolarHBondContact O-N 3.48Å; W87-R90 PolarHBondContact O-N 3.14Å; S88-R90 PolarHBondContact O-N 3.46Å; R90-S93 PolarHBondContact O-N 2.92Å; R90-V94 WeakPolarHBondContact O-CG2 3.4Å; R90-V94 PolarHBondContact O-N 3.41Å |
| 91 | L | 80.9 | Confident | 74.3 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 31% | 0.314 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.5 | -175.1 | 62.8 | 0 | 0 | 0 | 111.2 | W87 S88 S93 V94 L95 | W87-L91 PolarHBondContact O-N 2.9Å; S88-L91 PolarHBondContact O-N 3.38Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.17Å; L91-V94 PolarHBondContact O-N 2.99Å; L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.22Å; L91-L95 HydrophobicContact CG-CD1 3.93Å; L91-L95 HydrophobicContact CG-CG 4.33Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.31Å |
| 92 | C | 78.8 | Confident | 72.5 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 57% | 0.568 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 175.9 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | S88 S89 L95 L96 | S88-C92 WeakPolarHBondContact O-CB 3.23Å; S88-C92 PolarHBondContact O-N 3.28Å; S88-C92 PolarHBondContact O-SG 3.09Å; S89-C92 PolarHBondContact O-N 3.5Å; C92-L95 PolarHBondContact O-N 3.5Å; C92-L96 WeakPolarHBondContact O-CB 3.3Å; C92-L96 PolarHBondContact O-N 2.85Å |
| 93 | S | 77.9 | Confident | 71.3 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | S89 R90 L91 L96 T97 | S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.33Å; R90-S93 PolarHBondContact O-N 2.92Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.17Å; S93-L96 PolarHBondContact O-N 2.8Å; S93-T97 VanDerWaalsContact O-CB 3.31Å; S93-T97 WeakPolarHBondContact O-CB 3.35Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.77Å |
| 94 | V | 76.7 | Confident | 70 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | V75 R90 L91 T97 N98 | V75-V94 HydrophobicContact CB-CG1 4.36Å; V75-V94 HydrophobicContact CG1-CG1 3.98Å; V75-V94 HydrophobicContact CG2-CG1 4.35Å; R90-V94 WeakPolarHBondContact O-CG2 3.4Å; R90-V94 PolarHBondContact O-N 3.41Å; L91-V94 PolarHBondContact O-N 2.99Å; V94-T97 PolarHBondContact O-N 2.82Å; V94-N98 WeakPolarHBondContact O-CB 3.18Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.29Å; V94-N98 PolarHBondContact O-ND2 2.93Å |
| 95 | L | 80.1 | Confident | 68.9 | Low | 86 Ų | 86 | 79 Ų | 79 | 45% | 0.45 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 176.7 | -70.4 | 175.7 | 0 | 0 | 0 | 111.3 | L91 C92 T97 N98 S99 | L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.22Å; L91-L95 HydrophobicContact CG-CD1 3.93Å; L91-L95 HydrophobicContact CG-CG 4.33Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.31Å; C92-L95 PolarHBondContact O-N 3.5Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.3Å; L95-N98 CarbonylContact O-C 3.59Å; L95-N98 PolarHBondContact O-N 2.89Å; L95-S99 WeakPolarHBondContact O-CB 3.45Å; L95-S99 PolarHBondContact O-N 3.24Å; L95-S99 PolarHBondContact O-OG 3.39Å; L95-S99 VanDerWaalsContact O-OG 3.04Å |
| 96 | L | 72.5 | Confident | 67.6 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.6 | -43.9 | 177 | -175 | 66.5 | 0 | 0 | 0 | 111.3 | C92 S93 N98 S99 V100 | C92-L96 WeakPolarHBondContact O-CB 3.3Å; C92-L96 PolarHBondContact O-N 2.85Å; S93-L96 PolarHBondContact O-N 2.8Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; L96-S99 PolarHBondContact O-N 3.19Å; L96-V100 HydrophobicContact CD1-CG2 3.64Å; L96-V100 HydrophobicContact CG-CG2 4.07Å; L96-V100 VanDerWaalsContact O-CB 3.24Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 WeakPolarHBondContact O-CG2 3.41Å; L96-V100 PolarHBondContact O-N 2.86Å |
| 97 | T | 71.1 | Confident | 65.9 | Low | 55 Ų | 55 | 77.4 Ų | 77.4 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | S93 V94 L95 S99 V100 I101 | S93-T97 VanDerWaalsContact O-CB 3.31Å; S93-T97 WeakPolarHBondContact O-CB 3.35Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.77Å; V94-T97 PolarHBondContact O-N 2.82Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.3Å; T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.88Å; T97-V100 PolarHBondContact O-N 3.24Å; T97-I101 HydrophobicContact CG2-CD1 3.36Å; T97-I101 HydrophobicContact CG2-CG1 3.93Å; T97-I101 WeakPolarHBondContact O-CA 3.37Å; T97-I101 WeakPolarHBondContact O-CB 3.2Å; T97-I101 VanDerWaalsContact O-CG1 3.32Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 3.09Å |
| 98 | N | 67.8 | Low | 64.1 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -27.5 | 178.4 | -70.9 | -27.9 | 0 | 0 | 0 | 113.4 | V75 V94 L95 L96 P110 | V75-N98 VanDerWaalsContact CG2-ND2 3.28Å; V75-N98 WeakPolarHBondContact CG2-ND2 3.27Å; V94-N98 WeakPolarHBondContact O-CB 3.18Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.29Å; V94-N98 PolarHBondContact O-ND2 2.93Å; L95-N98 CarbonylContact O-C 3.59Å; L95-N98 PolarHBondContact O-N 2.89Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; N98-P110 WeakPolarHBondContact O-CG 3.33Å |
| 99 | S | 67.9 | Low | 62.7 | Low | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.5 | -33.5 | 177 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | L95 L96 T97 P110 | L95-S99 WeakPolarHBondContact O-CB 3.45Å; L95-S99 PolarHBondContact O-N 3.24Å; L95-S99 PolarHBondContact O-OG 3.39Å; L95-S99 VanDerWaalsContact O-OG 3.04Å; L96-S99 PolarHBondContact O-N 3.19Å; T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.88Å; S99-P110 WeakPolarHBondContact O-CD 3.16Å; S99-P110 WeakPolarHBondContact O-CG 3.36Å |
| 100 | V | 55.5 | Low | 61.4 | Low | 86 Ų | 86 | 71.2 Ų | 71.2 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -99.1 | -38.3 | -171.9 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | L96 T97 S102 T109 | L96-V100 HydrophobicContact CD1-CG2 3.64Å; L96-V100 HydrophobicContact CG-CG2 4.07Å; L96-V100 VanDerWaalsContact O-CB 3.24Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 WeakPolarHBondContact O-CG2 3.41Å; L96-V100 PolarHBondContact O-N 2.86Å; T97-V100 PolarHBondContact O-N 3.24Å; V100-S102 PolarHBondContact O-N 3.32Å; V100-T109 WeakPolarHBondContact O-CG2 3.35Å |
| 101 | I | 52.6 | Low | 60.1 | Low | 111 Ų | 111 | 69.8 Ų | 69.8 | 57% | 0.569 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -76.8 | 103.2 | -178.7 | -58 | -169.3 | 0 | 0 | 0 | 109 | T97 S103 | T97-I101 HydrophobicContact CG2-CD1 3.36Å; T97-I101 HydrophobicContact CG2-CG1 3.93Å; T97-I101 WeakPolarHBondContact O-CA 3.37Å; T97-I101 WeakPolarHBondContact O-CB 3.2Å; T97-I101 VanDerWaalsContact O-CG1 3.32Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 3.09Å; I101-S103 PolarHBondContact O-N 2.96Å |
| 102 | S | 44 | Very low | 58.8 | Low | 42 Ų | 42 | 73 Ų | 73 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -52.8 | 131.6 | 165.7 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | V100 V104 Q108 | V100-S102 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact O-N 3.22Å; S102-Q108 VanDerWaalsContact CA-O 3.28Å; S102-Q108 WeakPolarHBondContact CA-O 3.3Å; S102-Q108 WeakPolarHBondContact CB-O 3.47Å | ||
| 103 | S | 48.4 | Very low | 57.5 | Low | 68 Ų | 68 | 77.9 Ų | 77.9 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | trans | -61 | 126.4 | 172 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | I101 A105 T106 G107 | I101-S103 PolarHBondContact O-N 2.96Å; S103-A105 PolarHBondContact O-N 3.37Å; S103-A105 PolarHBondContact OG-N 2.93Å; S103-T106 PolarHBondContact O-N 3.08Å; S103-G107 PolarHBondContact O-N 3.25Å | ||
| 104 | V | 47.4 | Very low | 56.4 | Low | 155 Ų | 155 | 80 Ų | 80 | 94% | 0.939 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -22.7 | 174.9 | -80.4 | 0 | 0 | 0 | 0 | 113.1 | S102 | S102-V104 PolarHBondContact O-N 3.22Š|
| 105 | A | 47 | Very low | 55 | Low | 89 Ų | 89 | 83 Ų | 83 | 74% | 0.736 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S103 | S103-A105 PolarHBondContact O-N 3.37Å; S103-A105 PolarHBondContact OG-N 2.93Å |
| 106 | T | 49.8 | Very low | 53.5 | Low | 83 Ų | 83 | 82.9 Ų | 82.9 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -15.9 | -173.1 | -44.9 | 0 | 0 | 0 | 0 | 112.7 | S103 Q108 | S103-T106 PolarHBondContact O-N 3.08Å; T106-Q108 HydrophobicContact CG2-CB 4.48Å; T106-Q108 HydrophobicContact CG2-CG 4.46Å; T106-Q108 PolarHBondContact O-N 3.36Å |
| 107 | G | 47.9 | Very low | 52.3 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | trans | 67.2 | -1.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S103 | S103-G107 PolarHBondContact O-N 3.25Š| ||
| 108 | Q | 44 | Very low | 51 | Low | 89 Ų | 89 | 89.5 Ų | 89.5 | 42% | 0.416 | 53% | 0.528 | S | S | . | . | trans | -100.7 | 136.8 | 178 | -64.5 | -173.2 | 5.4 | 0 | 0 | 110.4 | S102 T106 E112 | S102-Q108 VanDerWaalsContact CA-O 3.28Å; S102-Q108 WeakPolarHBondContact CA-O 3.3Å; S102-Q108 WeakPolarHBondContact CB-O 3.47Å; T106-Q108 HydrophobicContact CG2-CB 4.48Å; T106-Q108 HydrophobicContact CG2-CG 4.46Å; T106-Q108 PolarHBondContact O-N 3.36Å; Q108-E112 WeakPolarHBondContact CG-OE1 2.66Å | ||
| 109 | T | 51.1 | Low | 50.1 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 29% | 0.294 | 55% | 0.546 | S | S | . | . | trans | -72.2 | 142.5 | 170 | 64.3 | 0 | 0 | 0 | 0 | 108.7 | V100 A111 E112 R113 | V100-T109 WeakPolarHBondContact O-CG2 3.35Å; T109-A111 PolarHBondContact O-N 3.38Å; T109-A111 VanDerWaalsContact O-N 3.14Å; T109-E112 WeakPolarHBondContact O-CA 3.08Å; T109-E112 WeakPolarHBondContact O-CB 2.83Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 PolarHBondContact OG1-N 2.98Å; T109-R113 PolarHBondContact O-N 3.42Å | ||
| 110 | P | 50.8 | Low | 49 | Very low | 38 Ų | 38 | 96.7 Ų | 96.7 | 25% | 0.247 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -60 | -23.7 | 177.8 | 9.4 | -15.2 | 0 | 0 | 0 | 112.9 | N98 S99 R113 N114 | N98-P110 WeakPolarHBondContact O-CG 3.33Å; S99-P110 WeakPolarHBondContact O-CD 3.16Å; S99-P110 WeakPolarHBondContact O-CG 3.36Å; P110-R113 PolarHBondContact O-N 3.24Å; P110-N114 WeakPolarHBondContact O-CB 3.09Å; P110-N114 PolarHBondContact O-N 3.47Å; P110-N114 PolarHBondContact O-ND2 3.21Å |
| 111 | A | 49.2 | Very low | 48.6 | Very low | 21 Ų | 21 | 98.9 Ų | 98.9 | 17% | 0.174 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -61.3 | -44.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T109 N114 G115 T116 T118 | T109-A111 PolarHBondContact O-N 3.38Å; T109-A111 VanDerWaalsContact O-N 3.14Å; A111-N114 PolarHBondContact O-N 3.19Å; A111-G115 PolarHBondContact O-N 3.49Å; A111-G115 VanDerWaalsContact O-N 3.11Å; A111-T116 WeakPolarHBondContact CA-OG1 3.05Å; A111-T116 PolarHBondContact O-N 3.31Å; A111-T116 VanDerWaalsContact O-N 3.15Å; A111-T116 PolarHBondContact O-OG1 2.69Å; A111-T118 HydrophobicContact CB-CG2 4.47Å |
| 112 | E | 54.1 | Low | 48.3 | Very low | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -44.3 | 174.8 | -171.1 | 170.5 | 93.1 | 0 | 0 | 111.2 | Q108 T109 N114 G115 | Q108-E112 WeakPolarHBondContact CG-OE1 2.66Å; T109-E112 WeakPolarHBondContact O-CA 3.08Å; T109-E112 WeakPolarHBondContact O-CB 2.83Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 PolarHBondContact OG1-N 2.98Å; E112-N114 VanDerWaalsContact C-N 3.31Å; E112-N114 PolarHBondContact O-N 3.07Å; E112-G115 PolarHBondContact O-N 3.39Å |
| 113 | R | 51.9 | Low | 48.2 | Very low | 187 Ų | 187 | 107.7 Ų | 107.7 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -33.3 | 177.1 | -175.8 | 178 | 175.8 | 163.5 | 0 | 113.2 | T109 P110 | T109-R113 PolarHBondContact O-N 3.42Å; P110-R113 PolarHBondContact O-N 3.24Å |
| 114 | N | 55.1 | Low | 48.2 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -91.1 | -2.5 | -178.6 | -68.7 | -16.6 | 0 | 0 | 0 | 113.4 | P110 A111 E112 T116 | P110-N114 WeakPolarHBondContact O-CB 3.09Å; P110-N114 PolarHBondContact O-N 3.47Å; P110-N114 PolarHBondContact O-ND2 3.21Å; A111-N114 PolarHBondContact O-N 3.19Å; E112-N114 VanDerWaalsContact C-N 3.31Å; E112-N114 PolarHBondContact O-N 3.07Å; N114-T116 PolarHBondContact O-N 3.46Å |
| 115 | G | 47.5 | Very low | 48.1 | Very low | 63 Ų | 63 | 111 Ų | 111 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.6 | 19.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A111 E112 K117 | A111-G115 PolarHBondContact O-N 3.49Å; A111-G115 VanDerWaalsContact O-N 3.11Å; E112-G115 PolarHBondContact O-N 3.39Å; G115-K117 PolarHBondContact O-N 3.3Å |
| 116 | T | 47 | Very low | 48 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | trans | -79.1 | 82 | 169.3 | 56.2 | 0 | 0 | 0 | 0 | 107 | A111 N114 T118 | A111-T116 WeakPolarHBondContact CA-OG1 3.05Å; A111-T116 PolarHBondContact O-N 3.31Å; A111-T116 VanDerWaalsContact O-N 3.15Å; A111-T116 PolarHBondContact O-OG1 2.69Å; N114-T116 PolarHBondContact O-N 3.46Å; T116-T118 PolarHBondContact O-N 3.03Å | ||
| 117 | K | 47.5 | Very low | 47.9 | Very low | 190 Ų | 190 | 113.2 Ų | 113.2 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | trans | -53.2 | 108.9 | 172.5 | -126.1 | 170.4 | 173.3 | -179.8 | 0 | 107.8 | G115 E119 | G115-K117 PolarHBondContact O-N 3.3Å; K117-E119 PolarHBondContact O-N 2.77Å | ||
| 118 | T | 43.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 39.2 | -177.8 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | A111 T116 | A111-T118 HydrophobicContact CB-CG2 4.47Å; T116-T118 PolarHBondContact O-N 3.03Å |
| 119 | E | 48.9 | Very low | 47.8 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -15.3 | -173.2 | -60.3 | -64.3 | 123.9 | 0 | 0 | 114.5 | K117 | K117-E119 PolarHBondContact O-N 2.77Š|
| 120 | D | 44.5 | Very low | 47.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -122.8 | 14.2 | -167.3 | -81.3 | -30.5 | 0 | 0 | 0 | 117.5 | ||
| 121 | V | 47 | Very low | 47 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -87.9 | -30.4 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 122 | F | 47.7 | Very low | 46.8 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 77% | 0.768 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -78.8 | -22.7 | -176 | -157.9 | -100.4 | 0 | 0 | 0 | 113.5 | H124 I125 | F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.05Å; F122-I125 HydrophobicContact CD2-CD1 3.89Å; F122-I125 HydrophobicContact CE2-CD1 4Å; F122-I125 VanDerWaalsContact O-CG1 3.23Å; F122-I125 WeakPolarHBondContact O-CG1 3.11Å |
| 123 | E | 42.5 | Very low | 46 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -74.4 | -18.8 | -179.3 | -114 | -164.4 | 172.1 | 0 | 0 | 113.9 | I125 | E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 3.41Å |
| 124 | H | 47.8 | Very low | 45.4 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -82.9 | 1.3 | -177.8 | -153.1 | 77 | 0 | 0 | 0 | 114.5 | F122 | F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.05Å |
| 125 | I | 45.7 | Very low | 45.4 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 61% | 0.605 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -114 | 32.2 | -178.9 | 37 | 174.3 | 0 | 0 | 0 | 113.1 | F122 E123 P127 | F122-I125 HydrophobicContact CD2-CD1 3.89Å; F122-I125 HydrophobicContact CE2-CD1 4Å; F122-I125 VanDerWaalsContact O-CG1 3.23Å; F122-I125 WeakPolarHBondContact O-CG1 3.11Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 3.41Å; I125-P127 WeakPolarHBondContact O-CD 3.37Å |
| 126 | S | 44 | Very low | 45.3 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -90.6 | 103.3 | 160.1 | -84.2 | 0 | 0 | 0 | 0 | 110.6 | K128 | S126-K128 PolarHBondContact O-N 2.99Å; S126-K128 VanDerWaalsContact O-N 3.11Å | ||
| 127 | P | 48.8 | Very low | 45.2 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 109.5 | 173.1 | 28.3 | -31.7 | 0 | 0 | 0 | 108.4 | I125 H129 | I125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-H129 PolarHBondContact O-N 2.91Å | ||
| 128 | K | 47.6 | Very low | 45 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -62.3 | 114.7 | 178.5 | -41.9 | -172 | -169.1 | -173.4 | 0 | 107.7 | S126 | S126-K128 PolarHBondContact O-N 2.99Å; S126-K128 VanDerWaalsContact O-N 3.11Å | ||
| 129 | H | 40.7 | Very low | 45.1 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -51.3 | 136.9 | -173.6 | -169.4 | 70.5 | 0 | 0 | 0 | 112.6 | P127 D131 | P127-H129 PolarHBondContact O-N 2.91Å; H129-D131 IonicContact CD2-OD2 2.83Å; H129-D131 PolarHBondContact CD2-OD2 2.73Å; H129-D131 VanDerWaalsContact CD2-OD2 3.3Å; H129-D131 IonicContact NE2-OD2 2.76Å; H129-D131 PolarHBondContact O-N 2.72Å | ||
| 130 | L | 43.9 | Very low | 44.9 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 102.5 | 177.2 | -66.9 | 163.3 | 0 | 0 | 0 | 110.2 | ||||
| 131 | D | 42.5 | Very low | 44.9 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -129.1 | 89.4 | 165.3 | -81.9 | -39.4 | 0 | 0 | 0 | 110.7 | H129 | H129-D131 IonicContact CD2-OD2 2.83Å; H129-D131 PolarHBondContact CD2-OD2 2.73Å; H129-D131 VanDerWaalsContact CD2-OD2 3.3Å; H129-D131 IonicContact NE2-OD2 2.76Å; H129-D131 PolarHBondContact O-N 2.72Å | ||
| 132 | G | 43.2 | Very low | 44.8 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -139.4 | 40.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | R | 38.1 | Very low | 44.5 | Very low | 225 Ų | 225 | 152.3 Ų | 152.3 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | trans | -93 | 103.9 | 175 | -177.3 | 172.8 | -83.9 | 122.2 | -5.2 | 109.3 | ||||
| 134 | T | 39.8 | Very low | 44.7 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | 32 | 105.8 | 138.3 | -47.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 135 | T | 54.2 | Low | 44.4 | Very low | 206 Ų | 206 | 149.3 Ų | 149.3 | 100% | 1.264 | 82% | 0.82 | S | S | * | * | trans | -131.2 | 0 | 135.3 | 171.3 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 135 of 135 residues in 566.8 ms
(Link to these results)