| 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 | 43 | Very low | 50.7 | Low | 233 Ų | 233 | 118.2 Ų | 118.2 | 100% | 1.148 | 73% | 0.729 | S | S | * | * | 0 | 94 | 0 | -72 | -167 | 171.8 | 0 | 0 | 105.9 | S3 | M1-S3 PolarHBondContact O-N 3.33Š| |||
| 2 | D | 44.9 | Very low | 49.9 | Very low | 143 Ų | 143 | 114.6 Ų | 114.6 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | -73.9 | 121.1 | -164.1 | -60.2 | -31.6 | 0 | 0 | 0 | 110.7 | T4 | D2-T4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 52.8 | Low | 50.1 | Low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -74.7 | 13.2 | -171.2 | -71.5 | 0 | 0 | 0 | 0 | 114.7 | M1 A5 | M1-S3 PolarHBondContact O-N 3.33Å; S3-A5 VanDerWaalsContact C-N 3.3Å; S3-A5 PolarHBondContact O-N 2.89Å |
| 4 | T | 57.8 | Low | 49.9 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -78.7 | -14.2 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | D2 S6 | D2-T4 PolarHBondContact O-N 3.32Å; T4-S6 PolarHBondContact O-N 3.47Å |
| 5 | A | 51.9 | Low | 49.8 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -77.3 | -14.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S3 | S3-A5 VanDerWaalsContact C-N 3.3Å; S3-A5 PolarHBondContact O-N 2.89Å |
| 6 | S | 51.6 | Low | 49.5 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -87.5 | -32.3 | -169.8 | -165.3 | 0 | 0 | 0 | 0 | 114.2 | T4 A8 | T4-S6 PolarHBondContact O-N 3.47Å; S6-A8 PolarHBondContact O-N 3.34Å |
| 7 | F | 46.6 | Very low | 49.4 | Very low | 162 Ų | 162 | 127 Ų | 127 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -28.2 | -173.6 | -168.6 | -102.8 | 0 | 0 | 0 | 113.4 | S9 A10 I11 | F7-S9 PolarHBondContact O-N 3.44Å; F7-A10 PolarHBondContact O-N 3Å; F7-I11 HydrophobicContact CE1-CD1 4.17Å; F7-I11 HydrophobicContact CZ-CD1 4.27Å |
| 8 | A | 51.2 | Low | 49.2 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -24.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S6 | S6-A8 PolarHBondContact O-N 3.34Š|
| 9 | S | 51.4 | Low | 49.2 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -17.8 | 177 | -101.7 | 0 | 0 | 0 | 0 | 113.9 | F7 I11 | F7-S9 PolarHBondContact O-N 3.44Å; S9-I11 VanDerWaalsContact C-N 3.28Å; S9-I11 PolarHBondContact O-N 3.25Å |
| 10 | A | 51.4 | Low | 49.3 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -77.4 | -15.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | F7 | F7-A10 PolarHBondContact O-N 3Š|
| 11 | I | 54.8 | Low | 49.2 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 38% | 0.379 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -115.1 | 91.6 | -179.5 | -33.5 | -173.2 | 0 | 0 | 0 | 107 | F7 S9 Y13 | F7-I11 HydrophobicContact CE1-CD1 4.17Å; F7-I11 HydrophobicContact CZ-CD1 4.27Å; S9-I11 VanDerWaalsContact C-N 3.28Å; S9-I11 PolarHBondContact O-N 3.25Å; I11-Y13 HydrophobicContact CB-CD2 3.96Å; I11-Y13 HydrophobicContact CB-CE2 3.58Å; I11-Y13 HydrophobicContact CD1-CE2 4.43Å; I11-Y13 HydrophobicContact CG2-CD2 3.89Å; I11-Y13 HydrophobicContact CG2-CE1 4.4Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å; I11-Y13 VanDerWaalsContact O-CD2 3.31Å; I11-Y13 WeakPolarHBondContact O-CD2 3.22Å; I11-Y13 PolarHBondContact O-N 3.31Å |
| 12 | G | 41.3 | Very low | 49.6 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -60.3 | 83 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D14 | G12-D14 PolarHBondContact O-N 3.22Š| ||
| 13 | Y | 52.6 | Low | 49.9 | Very low | 186 Ų | 186 | 122.7 Ų | 122.7 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | trans | -81 | 92.5 | 164.6 | -71.5 | -74.4 | 0 | 0 | 0 | 107 | I11 H15 | I11-Y13 HydrophobicContact CB-CD2 3.96Å; I11-Y13 HydrophobicContact CB-CE2 3.58Å; I11-Y13 HydrophobicContact CD1-CE2 4.43Å; I11-Y13 HydrophobicContact CG2-CD2 3.89Å; I11-Y13 HydrophobicContact CG2-CE1 4.4Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å; I11-Y13 VanDerWaalsContact O-CD2 3.31Å; I11-Y13 WeakPolarHBondContact O-CD2 3.22Å; I11-Y13 PolarHBondContact O-N 3.31Å; Y13-H15 PolarHBondContact O-N 3.11Å; Y13-H15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | D | 47.1 | Very low | 49.7 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -52 | 119.4 | 162.8 | -89 | -43.8 | 0 | 0 | 0 | 108.8 | G12 H16 | G12-D14 PolarHBondContact O-N 3.22Å; D14-H16 VanDerWaalsContact C-N 3.31Å; D14-H16 PolarHBondContact O-N 2.71Å | ||
| 15 | H | 49.3 | Very low | 49 | Very low | 191 Ų | 191 | 120.4 Ų | 120.4 | 88% | 0.884 | 71% | 0.711 | S | S | * | * | trans | -63.5 | 86 | 178.5 | -91 | -73.5 | 0 | 0 | 0 | 110.2 | Y13 P17 | Y13-H15 PolarHBondContact O-N 3.11Å; Y13-H15 VanDerWaalsContact O-N 3.13Å; H15-P17 WeakPolarHBondContact O-CD 3.44Å | ||
| 16 | H | 44.3 | Very low | 48.8 | Very low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -72.4 | 121.5 | 168.6 | -166 | -105.3 | 0 | 0 | 0 | 109.7 | D14 S18 | D14-H16 VanDerWaalsContact C-N 3.31Å; D14-H16 PolarHBondContact O-N 2.71Å; H16-S18 WeakPolarHBondContact ND1-CB 3.06Å; H16-S18 PolarHBondContact ND1-OG 3.45Å; H16-S18 PolarHBondContact O-N 2.92Å | ||
| 17 | P | 47.7 | Very low | 48.9 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -78.8 | 15.9 | -168.3 | 30.6 | -33.6 | 0 | 0 | 0 | 114.9 | H15 L19 | H15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-L19 VanDerWaalsContact C-N 3.3Å; P17-L19 PolarHBondContact O-N 2.97Å |
| 18 | S | 45.6 | Very low | 49 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -81.4 | 2.3 | -176.4 | 66.9 | 0 | 0 | 0 | 0 | 115.3 | H16 K20 | H16-S18 WeakPolarHBondContact ND1-CB 3.06Å; H16-S18 PolarHBondContact ND1-OG 3.45Å; H16-S18 PolarHBondContact O-N 2.92Å; S18-K20 VanDerWaalsContact C-N 3.28Å; S18-K20 PolarHBondContact O-N 3.13Å |
| 19 | L | 48.8 | Very low | 48.6 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -85.4 | 14.9 | -179.8 | -72.5 | 172.3 | 0 | 0 | 0 | 114.7 | P17 | P17-L19 VanDerWaalsContact C-N 3.3Å; P17-L19 PolarHBondContact O-N 2.97Å |
| 20 | K | 52.1 | Low | 48.7 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -85 | -6.7 | -179.5 | -68.9 | -170.1 | 179.6 | -178.4 | 0 | 115.2 | S18 | S18-K20 VanDerWaalsContact C-N 3.28Å; S18-K20 PolarHBondContact O-N 3.13Å |
| 21 | M | 46.8 | Very low | 48.6 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 84% | 0.837 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -110.9 | 7.5 | -171.8 | -71.9 | -83.2 | 60.6 | 0 | 0 | 117.5 | ||
| 22 | L | 51.8 | Low | 48.7 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -109.9 | 4.4 | 178 | -83 | 151.9 | 0 | 0 | 0 | 114.3 | S24 Y26 | L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.91Å; L22-Y26 HydrophobicContact CB-CE2 3.98Å; L22-Y26 HydrophobicContact CD2-CE2 4.45Å; L22-Y26 WeakPolarHBondContact O-CD2 3.24Å; L22-Y26 VanDerWaalsContact O-CE2 3.28Å; L22-Y26 WeakPolarHBondContact O-CE2 3.42Å |
| 23 | S | 51.4 | Low | 49.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -7 | -177.3 | 91.7 | 0 | 0 | 0 | 0 | 115 | ||
| 24 | S | 48.4 | Very low | 48.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -2.8 | -176.6 | -162 | 0 | 0 | 0 | 0 | 114.9 | L22 | L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.91Å |
| 25 | G | 42.9 | Very low | 49 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.3 | -13.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q27 | G25-Q27 VanDerWaalsContact C-N 3.35Å; G25-Q27 PolarHBondContact O-N 3.38Å |
| 26 | Y | 46.8 | Very low | 49.1 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 70% | 0.698 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 4.6 | -167.8 | -72.9 | -68.5 | 0 | 0 | 0 | 115.9 | L22 | L22-Y26 HydrophobicContact CB-CE2 3.98Å; L22-Y26 HydrophobicContact CD2-CE2 4.45Å; L22-Y26 WeakPolarHBondContact O-CD2 3.24Å; L22-Y26 VanDerWaalsContact O-CE2 3.28Å; L22-Y26 WeakPolarHBondContact O-CE2 3.42Å |
| 27 | Q | 54 | Low | 49.5 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 2.4 | -179 | -73 | -174.4 | 7.8 | 0 | 0 | 115.3 | G25 | G25-Q27 VanDerWaalsContact C-N 3.35Å; G25-Q27 PolarHBondContact O-N 3.38Å |
| 28 | A | 48.7 | Very low | 49.4 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.5 | -3.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 29 | A | 44.4 | Very low | 49.7 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -123.6 | -6.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | A31 | A29-A31 VanDerWaalsContact C-N 3.26Å; A29-A31 PolarHBondContact O-N 3.15Å |
| 30 | S | 53.1 | Low | 49.6 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.1 | 177.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | R32 | S30-R32 VanDerWaalsContact C-N 3.35Å; S30-R32 PolarHBondContact O-N 3.2Å |
| 31 | A | 47.8 | Very low | 49 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -82.9 | 0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A29 W33 | A29-A31 VanDerWaalsContact C-N 3.26Å; A29-A31 PolarHBondContact O-N 3.15Å; A31-W33 PolarHBondContact O-N 3.5Å |
| 32 | R | 57.3 | Low | 48.5 | Very low | 241 Ų | 241 | 127.5 Ų | 127.5 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -76.6 | -9.8 | -177.7 | -165.6 | 146.6 | -175.6 | 168.2 | 0.6 | 114.3 | S30 | S30-R32 VanDerWaalsContact C-N 3.35Å; S30-R32 PolarHBondContact O-N 3.2Å |
| 33 | W | 52.3 | Low | 47.8 | Very low | 206 Ų | 206 | 128.5 Ų | 128.5 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -142.7 | 53 | 175.5 | 59.9 | -71.2 | 0 | 0 | 0 | 109.3 | A31 P35 | A31-W33 PolarHBondContact O-N 3.5Å; W33-P35 WeakPolarHBondContact O-CD 3.43Å |
| 34 | S | 44.5 | Very low | 47.5 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | trans | -76.1 | 109.9 | 167.2 | -153.2 | 0 | 0 | 0 | 0 | 107.9 | Y36 | S34-Y36 PolarHBondContact O-N 3.23Š| ||
| 35 | P | 50.8 | Low | 47.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 118.7 | 178.5 | 29 | -24.4 | 0 | 0 | 0 | 107.5 | W33 T37 | W33-P35 WeakPolarHBondContact O-CD 3.43Å; P35-T37 PolarHBondContact O-N 3.46Å | ||
| 36 | Y | 51.7 | Low | 47.1 | Very low | 230 Ų | 230 | 133.5 Ų | 133.5 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 25.3 | 78.9 | 161.3 | -61.6 | -86.3 | 0 | 0 | 0 | 115.8 | S34 A38 | S34-Y36 PolarHBondContact O-N 3.23Å; Y36-A38 VanDerWaalsContact C-N 3.28Å; Y36-A38 PolarHBondContact O-N 3.39Å | ||
| 37 | T | 52.2 | Low | 46.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -73.4 | 94.4 | 157.5 | -45.2 | 0 | 0 | 0 | 0 | 106.6 | P35 P39 | P35-T37 PolarHBondContact O-N 3.46Å; T37-P39 WeakPolarHBondContact O-CD 3.4Å | ||
| 38 | A | 46.8 | Very low | 46.6 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 120.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y36 T40 | Y36-A38 VanDerWaalsContact C-N 3.28Å; Y36-A38 PolarHBondContact O-N 3.39Å; A38-T40 PolarHBondContact O-N 3Å | ||
| 39 | P | 51.7 | Low | 46.7 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 110.7 | 175.3 | -15.5 | 28.7 | 0 | 0 | 0 | 109 | T37 | T37-P39 WeakPolarHBondContact O-CD 3.4Š| ||
| 40 | T | 46.5 | Very low | 46.8 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 115.1 | 168.4 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | A38 | A38-T40 PolarHBondContact O-N 3Š| ||
| 41 | G | 38.2 | Very low | 46.6 | Very low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 131.6 | 112 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 42 | D | 37.9 | Very low | 46.7 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | 73.3 | 91.1 | 149.4 | -54 | -20.4 | 0 | 0 | 0 | 118.9 | V44 | D42-V44 PolarHBondContact O-N 3.48Š| ||
| 43 | S | 36.5 | Very low | 46.4 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | trans | 18.2 | 79.1 | 133.9 | -73.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 44 | V | 44.7 | Very low | 46.2 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -131.9 | 118.5 | 139.6 | -69.8 | 0 | 0 | 0 | 0 | 107.9 | D42 | D42-V44 PolarHBondContact O-N 3.48Š| ||
| 45 | N | 40.3 | Very low | 46.1 | Very low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -10.1 | 125.9 | 176.7 | -75.5 | -58.1 | 0 | 0 | 0 | 116 | A47 | N45-A47 PolarHBondContact O-N 3Š| ||
| 46 | S | 42.6 | Very low | 46 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -31.5 | 87 | 158 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | V48 | S46-V48 PolarHBondContact O-N 3.42Š| ||
| 47 | A | 42.7 | Very low | 45.3 | Very low | 70 Ų | 70 | 120.4 Ų | 120.4 | 58% | 0.579 | 71% | 0.714 | S | S | * | * | trans | -70.9 | 80.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 103.6 | N45 Y49 | N45-A47 PolarHBondContact O-N 3Å; A47-Y49 HydrophobicContact CB-CD2 4.26Å; A47-Y49 HydrophobicContact CB-CE2 4.18Å; A47-Y49 WeakPolarHBondContact O-CD2 3.25Å; A47-Y49 PolarHBondContact O-N 3.44Å | ||
| 48 | V | 47.2 | Very low | 44.7 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -51.4 | 94.9 | 149.5 | 178 | 0 | 0 | 0 | 0 | 102.9 | S46 S50 | S46-V48 PolarHBondContact O-N 3.42Å; V48-S50 PolarHBondContact O-N 2.94Å | ||
| 49 | Y | 51.8 | Low | 44.4 | Very low | 202 Ų | 202 | 120.4 Ų | 120.4 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -61.7 | 87.9 | 164.7 | -85.1 | -91.4 | 0 | 0 | 0 | 103.4 | A47 I51 | A47-Y49 HydrophobicContact CB-CD2 4.26Å; A47-Y49 HydrophobicContact CB-CE2 4.18Å; A47-Y49 WeakPolarHBondContact O-CD2 3.25Å; A47-Y49 PolarHBondContact O-N 3.44Å; Y49-I51 PolarHBondContact O-N 3.19Å | ||
| 50 | S | 45.7 | Very low | 44.2 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -53.2 | 96.5 | 155.9 | -83 | 0 | 0 | 0 | 0 | 103.7 | V48 N52 | V48-S50 PolarHBondContact O-N 2.94Å; S50-N52 PolarHBondContact O-N 3.44Å | ||
| 51 | I | 49.7 | Very low | 44 | Very low | 135 Ų | 135 | 123 Ų | 123 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -58.4 | 95.9 | 168.5 | -64.4 | 172.2 | 0 | 0 | 0 | 103 | Y49 P53 | Y49-I51 PolarHBondContact O-N 3.19Å; I51-P53 WeakPolarHBondContact O-CD 3.18Å; I51-P53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | N | 48.8 | Very low | 44.4 | Very low | 107 Ų | 107 | 128 Ų | 128 | 57% | 0.572 | 71% | 0.712 | S | S | * | * | trans | -70.8 | 107 | -179.7 | -140.2 | -34 | 0 | 0 | 0 | 103.8 | S50 S54 S55 | S50-N52 PolarHBondContact O-N 3.44Å; N52-S54 PolarHBondContact O-N 3.43Å; N52-S55 PolarHBondContact O-N 2.81Å; N52-S55 PolarHBondContact O-OG 3.35Å | ||
| 53 | P | 52.5 | Low | 44.5 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -59.1 | -16.4 | -177 | 24 | -31.7 | 0 | 0 | 0 | 111.4 | I51 S55 Y56 | I51-P53 WeakPolarHBondContact O-CD 3.18Å; I51-P53 VanDerWaalsContact O-N 3.11Å; P53-S55 VanDerWaalsContact C-N 3.3Å; P53-S55 PolarHBondContact O-N 3.31Å; P53-Y56 PolarHBondContact O-N 3Å |
| 54 | S | 46.8 | Very low | 44.6 | Very low | 57 Ų | 57 | 120.6 Ų | 120.6 | 40% | 0.399 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -63.2 | -24.2 | 172 | -143.5 | 0 | 0 | 0 | 0 | 114.7 | N52 Y56 Q57 | N52-S54 PolarHBondContact O-N 3.43Å; S54-Y56 PolarHBondContact O-N 3.5Å; S54-Q57 VanDerWaalsContact O-CB 3.23Å; S54-Q57 WeakPolarHBondContact O-CB 3.46Å; S54-Q57 WeakPolarHBondContact O-CG 3.35Å; S54-Q57 PolarHBondContact O-N 2.97Å; S54-Q57 PolarHBondContact O-OE1 3Å; S54-Q57 PolarHBondContact OG-OE1 3.11Å |
| 55 | S | 44.1 | Very low | 44.6 | Very low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -72.4 | -15.6 | 178.5 | 70.8 | 0 | 0 | 0 | 0 | 113 | N52 P53 Q57 | N52-S55 PolarHBondContact O-N 2.81Å; N52-S55 PolarHBondContact O-OG 3.35Å; P53-S55 VanDerWaalsContact C-N 3.3Å; P53-S55 PolarHBondContact O-N 3.31Å; S55-Q57 PolarHBondContact O-N 3.31Å |
| 56 | Y | 47.2 | Very low | 45.1 | Very low | 188 Ų | 188 | 117 Ų | 117 | 74% | 0.737 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -89.5 | 25.8 | 165.5 | -72.7 | -84.1 | 0 | 0 | 0 | 112.5 | P53 S54 C58 | P53-Y56 PolarHBondContact O-N 3Å; S54-Y56 PolarHBondContact O-N 3.5Å; Y56-C58 PolarHBondContact O-N 3.31Å |
| 57 | Q | 36.8 | Very low | 45.4 | Very low | 149 Ų | 149 | 118.3 Ų | 118.3 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | trans | -65.8 | 74.1 | 159 | -88 | 169.1 | -47.6 | 0 | 0 | 109.5 | S54 S55 S59 | S54-Q57 VanDerWaalsContact O-CB 3.23Å; S54-Q57 WeakPolarHBondContact O-CB 3.46Å; S54-Q57 WeakPolarHBondContact O-CG 3.35Å; S54-Q57 PolarHBondContact O-N 2.97Å; S54-Q57 PolarHBondContact O-OE1 3Å; S54-Q57 PolarHBondContact OG-OE1 3.11Å; S55-Q57 PolarHBondContact O-N 3.31Å; Q57-S59 VanDerWaalsContact C-N 3.32Å; Q57-S59 PolarHBondContact O-N 3.36Å; Q57-S59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | C | 41.3 | Very low | 45.5 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 62% | 0.615 | 67% | 0.671 | S | S | * | * | trans | -56.7 | 110.4 | 137.6 | -76.6 | 0 | 0 | 0 | 0 | 105.1 | Y56 Y60 | Y56-C58 PolarHBondContact O-N 3.31Å; C58-Y60 VanDerWaalsContact C-N 3.29Å; C58-Y60 HydrophobicContact CB-CE2 4.13Å; C58-Y60 WeakPolarHBondContact O-CD2 3.23Å; C58-Y60 PolarHBondContact O-N 3.34Å | ||
| 59 | S | 40.4 | Very low | 45.2 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | trans | -57.2 | 96.2 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | Q57 D61 | Q57-S59 VanDerWaalsContact C-N 3.32Å; Q57-S59 PolarHBondContact O-N 3.36Å; Q57-S59 VanDerWaalsContact O-N 3.14Å; S59-D61 PolarHBondContact O-N 3.21Å | ||
| 60 | Y | 46.4 | Very low | 45 | Very low | 172 Ų | 172 | 120.9 Ų | 120.9 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -79.3 | 109.6 | 160.2 | -68.8 | -84.2 | 0 | 0 | 0 | 104.2 | C58 M62 | C58-Y60 VanDerWaalsContact C-N 3.29Å; C58-Y60 HydrophobicContact CB-CE2 4.13Å; C58-Y60 WeakPolarHBondContact O-CD2 3.23Å; C58-Y60 PolarHBondContact O-N 3.34Å; Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 WeakPolarHBondContact O-CG 3.43Å; Y60-M62 PolarHBondContact O-N 3.12Å | ||
| 61 | D | 42.1 | Very low | 44.9 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | trans | -57.8 | 100.1 | 165.8 | -96.4 | -35.5 | 0 | 0 | 0 | 107.3 | S59 G63 | S59-D61 PolarHBondContact O-N 3.21Å; D61-G63 PolarHBondContact O-N 3.33Å | ||
| 62 | M | 47.1 | Very low | 44.8 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -79.2 | 48.4 | -178.9 | -69.8 | -67.3 | -168.3 | 0 | 0 | 110.8 | Y60 | Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 WeakPolarHBondContact O-CG 3.43Å; Y60-M62 PolarHBondContact O-N 3.12Å | ||
| 63 | G | 40.4 | Very low | 44.6 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -94.2 | -0.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D61 | D61-G63 PolarHBondContact O-N 3.33Š| ||
| 64 | G | 38.2 | Very low | 44 | Very low | 49 Ų | 49 | 123.5 Ų | 123.5 | 51% | 0.505 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -104.1 | 127.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 65 | D | 43.9 | Very low | 43.8 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -35.5 | 126.8 | 169.5 | -173.9 | -14.1 | 0 | 0 | 0 | 111.1 | N67 A68 | D65-N67 PolarHBondContact O-N 3.31Å; D65-N67 WeakPolarHBondContact OD1-CB 3.38Å; D65-N67 PolarHBondContact OD1-N 3.25Å; D65-A68 HydrophobicContact CB-CB 4.27Å; D65-A68 WeakPolarHBondContact O-CA 3.31Å; D65-A68 WeakPolarHBondContact O-CB 3.44Å; D65-A68 PolarHBondContact O-N 2.83Å | ||
| 66 | P | 51.6 | Low | 43.6 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -14.8 | 176.8 | 22.1 | -32 | 0 | 0 | 0 | 113.4 | ||
| 67 | N | 49.2 | Very low | 43.4 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -7.6 | 169.4 | -74.3 | -35.9 | 0 | 0 | 0 | 114.4 | D65 Y69 | D65-N67 PolarHBondContact O-N 3.31Å; D65-N67 WeakPolarHBondContact OD1-CB 3.38Å; D65-N67 PolarHBondContact OD1-N 3.25Å; N67-Y69 PolarHBondContact O-N 3.17Å |
| 68 | A | 43.4 | Very low | 43.7 | Very low | 60 Ų | 60 | 118.1 Ų | 118.1 | 50% | 0.496 | 70% | 0.704 | S | S | . | * | trans | -74.9 | 56.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | D65 H70 | D65-A68 HydrophobicContact CB-CB 4.27Å; D65-A68 WeakPolarHBondContact O-CA 3.31Å; D65-A68 WeakPolarHBondContact O-CB 3.44Å; D65-A68 PolarHBondContact O-N 2.83Å; A68-H70 VanDerWaalsContact C-N 3.31Å; A68-H70 PolarHBondContact O-N 2.84Å | ||
| 69 | Y | 41.8 | Very low | 43.7 | Very low | 190 Ų | 190 | 120.3 Ų | 120.3 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | -52.4 | 108.3 | 151 | -91.8 | -95.3 | 0 | 0 | 0 | 105.9 | N67 H71 | N67-Y69 PolarHBondContact O-N 3.17Å; Y69-H71 PolarHBondContact O-N 2.81Å; Y69-H71 PolarHBondContact O-ND1 3.39Å | ||
| 70 | H | 47.9 | Very low | 43.8 | Very low | 185 Ų | 185 | 119.1 Ų | 119.1 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | -49.9 | 97.7 | 162.7 | -86.5 | -87.9 | 0 | 0 | 0 | 106.3 | A68 C72 | A68-H70 VanDerWaalsContact C-N 3.31Å; A68-H70 PolarHBondContact O-N 2.84Å; H70-C72 VanDerWaalsContact C-N 3.3Å; H70-C72 PolarHBondContact O-N 2.98Å | ||
| 71 | H | 43.3 | Very low | 43.6 | Very low | 173 Ų | 173 | 117.9 Ų | 117.9 | 80% | 0.801 | 70% | 0.699 | S | S | * | * | trans | -55.1 | 106 | 164.3 | -85.6 | 61 | 0 | 0 | 0 | 104 | Y69 N73 | Y69-H71 PolarHBondContact O-N 2.81Å; Y69-H71 PolarHBondContact O-ND1 3.39Å; H71-N73 PolarHBondContact O-N 3.34Å | ||
| 72 | C | 48.1 | Very low | 43.6 | Very low | 85 Ų | 85 | 118.5 Ų | 118.5 | 57% | 0.574 | 70% | 0.697 | S | S | * | * | trans | -63.9 | 95 | 170.7 | 49.4 | 0 | 0 | 0 | 0 | 105.9 | H70 G74 S75 | H70-C72 VanDerWaalsContact C-N 3.3Å; H70-C72 PolarHBondContact O-N 2.98Å; C72-G74 PolarHBondContact O-N 3.17Å; C72-S75 PolarHBondContact O-N 3.37Å; C72-S75 PolarHBondContact SG-O 3.26Å | ||
| 73 | N | 45.1 | Very low | 43.4 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 91% | 0.909 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 64.2 | -178.3 | -163.2 | 14.9 | 0 | 0 | 0 | 109.7 | H71 | H71-N73 PolarHBondContact O-N 3.34Š|
| 74 | G | 38.6 | Very low | 44 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.9 | -6.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C72 | C72-G74 PolarHBondContact O-N 3.17Š|
| 75 | S | 43.6 | Very low | 44.6 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | trans | -153.5 | 91.4 | 167.8 | -73.1 | 0 | 0 | 0 | 0 | 108 | C72 A77 | C72-S75 PolarHBondContact O-N 3.37Å; C72-S75 PolarHBondContact SG-O 3.26Å; S75-A77 PolarHBondContact O-N 2.75Å | ||
| 76 | S | 40.1 | Very low | 44.8 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -46.6 | 111.6 | 164.8 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | V78 | S76-V78 PolarHBondContact O-N 3.1Š| ||
| 77 | A | 43 | Very low | 44.7 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | trans | -62.4 | 92.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 104.2 | S75 V79 | S75-A77 PolarHBondContact O-N 2.75Å; A77-V79 PolarHBondContact O-N 3.4Å | ||
| 78 | V | 42.9 | Very low | 44.5 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 61% | 0.606 | 69% | 0.685 | S | S | * | * | trans | -59.7 | 100.9 | 172.5 | -75.9 | 0 | 0 | 0 | 0 | 104.5 | S76 I80 | S76-V78 PolarHBondContact O-N 3.1Å; V78-I80 HydrophobicContact CB-CG1 4.23Å; V78-I80 HydrophobicContact CG2-CD1 4.29Å; V78-I80 HydrophobicContact CG2-CG1 3.97Å; V78-I80 PolarHBondContact O-N 3.21Å | ||
| 79 | V | 41.2 | Very low | 44.8 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | -62.9 | 93.6 | 162.8 | -150.3 | 0 | 0 | 0 | 0 | 102.2 | A77 E81 | A77-V79 PolarHBondContact O-N 3.4Å; V79-E81 PolarHBondContact O-N 3.04Å | ||
| 80 | I | 43.1 | Very low | 44.8 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 42% | 0.421 | 70% | 0.7 | S | S | . | * | trans | -74 | 90.4 | 174.7 | -60.2 | 176.7 | 0 | 0 | 0 | 103.3 | V78 E82 K153 | V78-I80 HydrophobicContact CB-CG1 4.23Å; V78-I80 HydrophobicContact CG2-CD1 4.29Å; V78-I80 HydrophobicContact CG2-CG1 3.97Å; V78-I80 PolarHBondContact O-N 3.21Å; I80-E82 PolarHBondContact O-N 3.22Å; I80-E82 VanDerWaalsContact O-N 3.08Å; I80-K153 VanDerWaalsContact CD1-NZ 3.29Å | ||
| 81 | E | 42.2 | Very low | 44.6 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | trans | -52.5 | 113.9 | 163 | -166.7 | -178.5 | 168.4 | 0 | 0 | 106.3 | V79 R83 | V79-E81 PolarHBondContact O-N 3.04Å; E81-R83 PolarHBondContact O-N 3.4Å | ||
| 82 | E | 41.6 | Very low | 44.6 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -69.8 | 42 | -168.5 | -74.3 | -157.1 | 148.4 | 0 | 0 | 113.7 | I80 S84 | I80-E82 PolarHBondContact O-N 3.22Å; I80-E82 VanDerWaalsContact O-N 3.08Å; E82-S84 PolarHBondContact O-N 3.14Å; E82-S84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | R | 43.4 | Very low | 43.9 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -86.7 | 87.8 | 170 | -87.1 | 149.1 | 165.2 | -128.2 | -5.4 | 108.9 | E81 | E81-R83 PolarHBondContact O-N 3.4Š|
| 84 | S | 51.4 | Low | 43.7 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | trans | 72.4 | 124.4 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | E82 F86 | E82-S84 PolarHBondContact O-N 3.14Å; E82-S84 VanDerWaalsContact O-N 3.11Å; S84-F86 PolarHBondContact O-N 3.4Å; S84-F86 VanDerWaalsContact OG-CB 3.31Å; S84-F86 WeakPolarHBondContact OG-CB 3.22Å | ||
| 85 | C | 51.1 | Low | 43.6 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 9.1 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 86 | F | 48.4 | Very low | 43.7 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 74% | 0.737 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -34.6 | -169.1 | -157.2 | -96.4 | 0 | 0 | 0 | 113.7 | S84 | S84-F86 PolarHBondContact O-N 3.4Å; S84-F86 VanDerWaalsContact OG-CB 3.31Å; S84-F86 WeakPolarHBondContact OG-CB 3.22Å |
| 87 | A | 48.7 | Very low | 43.5 | Very low | 52 Ų | 52 | 128.4 Ų | 128.4 | 43% | 0.43 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -92.6 | -13.7 | -149.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 88 | K | 46 | Very low | 43.2 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -122.7 | -9.7 | -167.4 | -71.5 | -174 | 177.7 | 174.4 | 0 | 117.6 | ||
| 89 | T | 48.8 | Very low | 43.1 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -93.2 | -20.4 | -179.5 | -8.7 | 0 | 0 | 0 | 0 | 114 | ||
| 90 | Y | 43.3 | Very low | 42.9 | Very low | 204 Ų | 204 | 128.8 Ų | 128.8 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -104.2 | -5.8 | -178.9 | -71.7 | -75.5 | 0 | 0 | 0 | 114.9 | ||
| 91 | L | 42.2 | Very low | 42.5 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -95.9 | 106.5 | 174.4 | -74.9 | 159.8 | 0 | 0 | 0 | 109.1 | ||
| 92 | R | 43 | Very low | 42.5 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | 84.4 | 70.4 | 170.7 | -153.7 | 71.9 | 169.9 | -165.3 | 1 | 116.2 | ||||
| 93 | W | 34.8 | Very low | 42.3 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -59.6 | 130.3 | 133 | 68.8 | -71.3 | 0 | 0 | 0 | 106.3 | S95 | W93-S95 WeakPolarHBondContact CH2-OG 3.4Å; W93-S95 WeakPolarHBondContact CZ2-OG 3.27Å; W93-S95 VanDerWaalsContact CZ3-CA 3.5Å; W93-S95 WeakPolarHBondContact CZ3-OG 3.14Å; W93-S95 PolarHBondContact NE1-OG 2.94Å; W93-S95 PolarHBondContact O-N 3.36Å | ||
| 94 | P | 41.1 | Very low | 42 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | trans | -65.1 | 92.8 | 167.7 | 24.5 | -28.6 | 0 | 0 | 0 | 107.1 | T96 | P94-T96 PolarHBondContact O-N 2.7Š| ||
| 95 | S | 36.7 | Very low | 41.4 | Very low | 50 Ų | 50 | 127 Ų | 127 | 35% | 0.35 | 70% | 0.703 | S | S | . | * | trans | -63.6 | 88.5 | 150.6 | -38.9 | 0 | 0 | 0 | 0 | 105.1 | W93 G97 | W93-S95 WeakPolarHBondContact CH2-OG 3.4Å; W93-S95 WeakPolarHBondContact CZ2-OG 3.27Å; W93-S95 VanDerWaalsContact CZ3-CA 3.5Å; W93-S95 WeakPolarHBondContact CZ3-OG 3.14Å; W93-S95 PolarHBondContact NE1-OG 2.94Å; W93-S95 PolarHBondContact O-N 3.36Å; S95-G97 PolarHBondContact O-N 3.32Å | ||
| 96 | T | 44.1 | Very low | 40.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -67.6 | 79.1 | 156.8 | 41.2 | 0 | 0 | 0 | 0 | 106.2 | P94 F101 | P94-T96 PolarHBondContact O-N 2.7Å; T96-F101 HydrophobicContact CG2-CZ 4.27Å | ||
| 97 | G | 35.6 | Very low | 40.5 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -137 | 49.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | S95 | S95-G97 PolarHBondContact O-N 3.32Š| ||
| 98 | D | 37.3 | Very low | 39.9 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -157 | 116.4 | 148 | -165.1 | -2.6 | 0 | 0 | 0 | 106.5 | S100 | D98-S100 PolarHBondContact O-N 2.87Š|
| 99 | S | 40.4 | Very low | 39.9 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -71.2 | 71.7 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 100 | S | 36.9 | Very low | 39.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -160.8 | 68.6 | 174.2 | -75.3 | 0 | 0 | 0 | 0 | 108.3 | D98 P102 | D98-S100 PolarHBondContact O-N 2.87Å; S100-P102 WeakPolarHBondContact O-CD 3.41Å | ||
| 101 | F | 35 | Very low | 39.5 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -58.4 | 122.6 | 161.8 | -80 | -87.3 | 0 | 0 | 0 | 107.3 | T96 A103 | T96-F101 HydrophobicContact CG2-CZ 4.27Å; F101-A103 PolarHBondContact O-N 3.4Å | ||
| 102 | P | 41.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | trans | -61.3 | 131.7 | 176.9 | 22.1 | -25.9 | 0 | 0 | 0 | 107.8 | S100 D104 | S100-P102 WeakPolarHBondContact O-CD 3.41Å; P102-D104 PolarHBondContact O-N 2.92Å | ||
| 103 | A | 38.7 | Very low | 38.7 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -49.7 | 104 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F101 S105 | F101-A103 PolarHBondContact O-N 3.4Å; A103-S105 PolarHBondContact O-N 3.11Å | ||
| 104 | D | 37 | Very low | 39 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -68.4 | 103 | 171.8 | -114.9 | -31.2 | 0 | 0 | 0 | 107 | P102 E106 | P102-D104 PolarHBondContact O-N 2.92Å; D104-E106 PolarHBondContact O-N 2.92Å | ||
| 105 | S | 39.6 | Very low | 38.6 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -56.7 | 115.5 | 168.4 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | A103 I107 | A103-S105 PolarHBondContact O-N 3.11Å; S105-I107 PolarHBondContact O-N 3.39Å | ||
| 106 | E | 36.5 | Very low | 38.8 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | trans | 49.3 | 63.8 | 147.3 | -52.6 | -143.7 | 170.1 | 0 | 0 | 118.2 | D104 R108 | D104-E106 PolarHBondContact O-N 2.92Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.33Å; E106-R108 IonicContact OE2-CZ 3.77Å; E106-R108 IonicContact OE2-NE 3.08Å; E106-R108 PolarHBondContact OE2-NE 2.95Å; E106-R108 IonicContact OE2-NH2 3.52Å; E106-R108 PolarHBondContact OE2-NH2 2.97Å; E106-R108 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 107 | I | 42.2 | Very low | 38.6 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -85.1 | 90.1 | 141.2 | -64 | -178.5 | 0 | 0 | 0 | 107.2 | S105 S109 | S105-I107 PolarHBondContact O-N 3.39Å; I107-S109 PolarHBondContact O-N 2.89Å | ||
| 108 | R | 37.7 | Very low | 38.8 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -53.7 | 104.3 | 173.1 | -67.8 | 175.7 | 178.7 | -170.4 | -3.1 | 109.9 | E106 | E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.33Å; E106-R108 IonicContact OE2-CZ 3.77Å; E106-R108 IonicContact OE2-NE 3.08Å; E106-R108 PolarHBondContact OE2-NE 2.95Å; E106-R108 IonicContact OE2-NH2 3.52Å; E106-R108 PolarHBondContact OE2-NH2 2.97Å; E106-R108 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 109 | S | 44.5 | Very low | 38.8 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -98.2 | 96.2 | 159.9 | -61.1 | 0 | 0 | 0 | 0 | 106.7 | I107 R111 | I107-S109 PolarHBondContact O-N 2.89Å; S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.78Å | ||
| 110 | D | 37.9 | Very low | 38.7 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -59.8 | 94.7 | 170.9 | -114.1 | -32 | 0 | 0 | 0 | 108.9 | ||||
| 111 | R | 45.7 | Very low | 38.2 | Very low | 223 Ų | 223 | 132.6 Ų | 132.6 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -135.3 | 88.1 | 163.6 | -70.6 | -172.4 | -168.8 | -114.7 | -0.9 | 107.6 | S109 C113 | S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.78Å; R111-C113 PolarHBondContact O-N 3.09Å; R111-C113 VanDerWaalsContact O-N 3.16Å | ||
| 112 | S | 35.6 | Very low | 38.2 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -27 | 108.6 | 168.2 | 159.4 | 0 | 0 | 0 | 0 | 113.4 | A114 | S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 VanDerWaalsContact O-N 3.16Å | ||
| 113 | C | 34.7 | Very low | 38.5 | Very low | 132 Ų | 132 | 130 Ų | 130 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | trans | -76.6 | 88.6 | 166.9 | -62.1 | 0 | 0 | 0 | 0 | 109.8 | R111 | R111-C113 PolarHBondContact O-N 3.09Å; R111-C113 VanDerWaalsContact O-N 3.16Å | ||
| 114 | A | 40.3 | Very low | 38.8 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -94 | 110.6 | 149 | 0 | 0 | 0 | 0 | 0 | 104.9 | S112 | S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 VanDerWaalsContact O-N 3.16Å | ||
| 115 | G | 32.8 | Very low | 39.1 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | 86 | 83.1 | 58.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 116 | N | 39.7 | Very low | 39.7 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 77 | 91.5 | 153.6 | -49.7 | -4.8 | 0 | 0 | 0 | 118.5 | ||||
| 117 | S | 39.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | -164.8 | 122.1 | 122.8 | -155.3 | 0 | 0 | 0 | 0 | 111 | S119 | S117-S119 PolarHBondContact O-N 3.13Š| |||
| 118 | P | 41.3 | Very low | 40.8 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -80.9 | 95.4 | 178.8 | 31.1 | -29.5 | 0 | 0 | 0 | 110.2 | ||||
| 119 | S | 37.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -107.1 | 116.6 | 164.1 | -69 | 0 | 0 | 0 | 0 | 109.3 | S117 | S117-S119 PolarHBondContact O-N 3.13Š| ||
| 120 | P | 37.2 | Very low | 42.6 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -80 | 157.6 | 178.8 | 33.4 | -32.4 | 0 | 0 | 0 | 111 | ||||
| 121 | C | 27.1 | Very low | 44.3 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 86.4 | 121.3 | 163.8 | -55.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 122 | S | 35.5 | Very low | 45.9 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 65.2 | 70.9 | 155.7 | 32.1 | 0 | 0 | 0 | 0 | 115.9 | E124 | S122-E124 PolarHBondContact O-N 3.15Š| ||
| 123 | T | 46.5 | Very low | 48.1 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -67.5 | 92.2 | 134.6 | 50.9 | 0 | 0 | 0 | 0 | 104.7 | D125 | T123-D125 VanDerWaalsContact C-N 3.33Å; T123-D125 PolarHBondContact O-N 3.18Å | ||
| 124 | E | 44.8 | Very low | 50.6 | Low | 129 Ų | 129 | 128.4 Ų | 128.4 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | trans | -42.9 | 110.5 | 161.8 | -53.5 | -159.4 | 144.3 | 0 | 0 | 105.1 | S122 H126 | S122-E124 PolarHBondContact O-N 3.15Å; E124-H126 PolarHBondContact O-N 3.18Å; E124-H126 IonicContact OE2-CE1 3.56Å; E124-H126 PolarHBondContact OE2-CE1 3.36Å; E124-H126 VanDerWaalsContact OE2-CE1 3.22Å; E124-H126 IonicContact OE2-ND1 3.36Å | ||
| 125 | D | 44.1 | Very low | 53 | Low | 160 Ų | 160 | 126 Ų | 126 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | trans | -54.1 | 88.6 | 152.5 | -92.5 | -49.9 | 0 | 0 | 0 | 103.1 | T123 A127 | T123-D125 VanDerWaalsContact C-N 3.33Å; T123-D125 PolarHBondContact O-N 3.18Å; D125-A127 PolarHBondContact O-N 3.32Å | ||
| 126 | H | 51.6 | Low | 56 | Low | 152 Ų | 152 | 126.6 Ų | 126.6 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | trans | -63.3 | 82 | 158 | -65 | -53.7 | 0 | 0 | 0 | 102.5 | E124 G128 | E124-H126 PolarHBondContact O-N 3.18Å; E124-H126 IonicContact OE2-CE1 3.56Å; E124-H126 PolarHBondContact OE2-CE1 3.36Å; E124-H126 VanDerWaalsContact OE2-CE1 3.22Å; E124-H126 IonicContact OE2-ND1 3.36Å; H126-G128 PolarHBondContact O-N 3.25Å | ||
| 127 | A | 53.2 | Low | 58.7 | Low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | -59 | 46.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | D125 D129 | D125-A127 PolarHBondContact O-N 3.32Å; A127-D129 VanDerWaalsContact C-N 3.26Å; A127-D129 PolarHBondContact O-N 2.87Å | ||
| 128 | G | 49 | Very low | 61.4 | Low | 49 Ų | 49 | 126.2 Ų | 126.2 | 51% | 0.505 | 69% | 0.692 | S | S | . | * | trans | -65.8 | 97.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 103.7 | H126 R130 | H126-G128 PolarHBondContact O-N 3.25Å; G128-R130 PolarHBondContact O-N 3.18Å | ||
| 129 | D | 55.6 | Low | 64 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | trans | 29.1 | 65.6 | 146.9 | -172.8 | 27.8 | 0 | 0 | 0 | 110.8 | A127 R131 | A127-D129 VanDerWaalsContact C-N 3.26Å; A127-D129 PolarHBondContact O-N 2.87Å; D129-R131 VanDerWaalsContact CG-CG 3.47Å; D129-R131 PolarHBondContact O-N 3.02Å; D129-R131 VanDerWaalsContact OD1-CG 3.32Å; D129-R131 WeakPolarHBondContact OD1-CG 3.27Å; D129-R131 WeakPolarHBondContact OD2-CG 3.31Å; D129-R131 IonicContact OD2-NE 3.95Å | ||
| 130 | R | 64.4 | Low | 66.8 | Low | 241 Ų | 241 | 122.2 Ų | 122.2 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -69.9 | 75.8 | 165.8 | -75.5 | -171.3 | 133.2 | 111 | 0.7 | 104.3 | G128 F132 | G128-R130 PolarHBondContact O-N 3.18Å; R130-F132 PolarHBondContact O-N 3.4Å | ||
| 131 | R | 72.9 | Confident | 69.6 | Low | 205 Ų | 205 | 124.2 Ų | 124.2 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -43.7 | 109.8 | 179.1 | -75.9 | -176 | -88.6 | 169.9 | -6.5 | 105.7 | D129 H133 | D129-R131 VanDerWaalsContact CG-CG 3.47Å; D129-R131 PolarHBondContact O-N 3.02Å; D129-R131 VanDerWaalsContact OD1-CG 3.32Å; D129-R131 WeakPolarHBondContact OD1-CG 3.27Å; D129-R131 WeakPolarHBondContact OD2-CG 3.31Å; D129-R131 IonicContact OD2-NE 3.95Å; R131-H133 VanDerWaalsContact C-N 3.31Å; R131-H133 PolarHBondContact O-N 2.89Å | ||
| 132 | F | 79.2 | Confident | 73 | Confident | 175 Ų | 175 | 125.6 Ų | 125.6 | 77% | 0.768 | 63% | 0.634 | S | S | * | * | trans | -58.8 | 100.4 | -179 | 169.9 | -97 | 0 | 0 | 0 | 106.6 | R130 P134 | R130-F132 PolarHBondContact O-N 3.4Å; F132-P134 HydrophobicContact CE1-CB 4.47Å; F132-P134 WeakPolarHBondContact O-CD 3.43Å | ||
| 133 | H | 82.4 | Confident | 76 | Confident | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 119.3 | 173.9 | -162.2 | -74.1 | 0 | 0 | 0 | 106.7 | R131 | R131-H133 VanDerWaalsContact C-N 3.31Å; R131-H133 PolarHBondContact O-N 2.89Å |
| 134 | P | 88.1 | Confident | 78.4 | Confident | 79 Ų | 79 | 128.2 Ų | 128.2 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 137 | 177.3 | 23.7 | -32.3 | 0 | 0 | 0 | 108.9 | F132 | F132-P134 HydrophobicContact CE1-CB 4.47Å; F132-P134 WeakPolarHBondContact O-CD 3.43Å |
| 135 | P | 90.8 | Very high | 81 | Confident | 40 Ų | 40 | 126.7 Ų | 126.7 | 26% | 0.26 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 143.3 | 178.5 | 26.3 | -34.9 | 0 | 0 | 0 | 110.1 | E139 L140 | P135-E139 HydrophobicContact CB-CB 4.25Å; P135-E139 HydrophobicContact CB-CG 3.98Å; P135-L140 HydrophobicContact CB-CD2 4.15Å; P135-L140 HydrophobicContact CB-CG 4.09Å; P135-L140 HydrophobicContact CG-CD1 4.25Å; P135-L140 HydrophobicContact CG-CD2 3.44Å; P135-L140 VanDerWaalsContact CG-CD2 3.44Å; P135-L140 HydrophobicContact CG-CG 3.73Å |
| 136 | S | 95.9 | Very high | 83.5 | Confident | 74 Ų | 74 | 121.1 Ų | 121.1 | 52% | 0.517 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 156.2 | 173.7 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | L138 E139 L140 | S136-L138 PolarHBondContact O-N 3.38Å; S136-E139 WeakPolarHBondContact O-CB 3.36Å; S136-E139 PolarHBondContact O-N 2.64Å; S136-E139 WeakPolarHBondContact OG-CB 3.36Å; S136-E139 PolarHBondContact OG-N 2.75Å; S136-L140 PolarHBondContact O-N 2.66Å |
| 137 | Q | 95.1 | Very high | 85.8 | Confident | 175 Ų | 175 | 115.7 Ų | 115.7 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.4 | -36.3 | 178.2 | -171.9 | -175.9 | 3.1 | 0 | 0 | 112.3 | L140 R141 | Q137-L140 PolarHBondContact O-N 2.72Å; Q137-R141 WeakPolarHBondContact O-CB 3.44Å; Q137-R141 PolarHBondContact O-N 3.17Å |
| 138 | L | 96.6 | Very high | 87.9 | Confident | 89 Ų | 89 | 115.7 Ų | 115.7 | 47% | 0.466 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 175.5 | -179.9 | 61.6 | 0 | 0 | 0 | 111.6 | S136 R141 R142 | S136-L138 PolarHBondContact O-N 3.38Å; L138-R141 WeakPolarHBondContact O-CB 2.79Å; L138-R141 PolarHBondContact O-N 3.3Å; L138-R142 WeakPolarHBondContact O-CG 3.12Å; L138-R142 PolarHBondContact O-N 2.8Å |
| 139 | E | 95.6 | Very high | 90.3 | Very high | 59 Ų | 59 | 116.6 Ų | 116.6 | 28% | 0.276 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.3 | 179 | 55.3 | -156.6 | 0 | 0 | 111.5 | P135 S136 R141 R142 R143 | P135-E139 HydrophobicContact CB-CB 4.25Å; P135-E139 HydrophobicContact CB-CG 3.98Å; S136-E139 WeakPolarHBondContact O-CB 3.36Å; S136-E139 PolarHBondContact O-N 2.64Å; S136-E139 WeakPolarHBondContact OG-CB 3.36Å; S136-E139 PolarHBondContact OG-N 2.75Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.08Å; E139-R142 PolarHBondContact O-N 3.08Å; E139-R143 WeakPolarHBondContact O-CG 3.48Å; E139-R143 PolarHBondContact O-N 3.47Å; E139-R143 IonicContact OE1-CZ 3.45Å; E139-R143 IonicContact OE1-NE 2.73Å; E139-R143 PolarHBondContact OE1-NE 3.28Å; E139-R143 IonicContact OE1-NH2 3.62Å; E139-R143 PolarHBondContact OE1-NH2 2.98Å |
| 140 | L | 96.7 | Very high | 92.3 | Very high | 94 Ų | 94 | 118.3 Ų | 118.3 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.1 | -72.6 | 174.6 | 0 | 0 | 0 | 112.2 | P135 S136 Q137 R143 R144 | P135-L140 HydrophobicContact CB-CD2 4.15Å; P135-L140 HydrophobicContact CB-CG 4.09Å; P135-L140 HydrophobicContact CG-CD1 4.25Å; P135-L140 HydrophobicContact CG-CD2 3.44Å; P135-L140 VanDerWaalsContact CG-CD2 3.44Å; P135-L140 HydrophobicContact CG-CG 3.73Å; S136-L140 PolarHBondContact O-N 2.66Å; Q137-L140 PolarHBondContact O-N 2.72Å; L140-R143 PolarHBondContact O-N 3.23Å; L140-R144 WeakPolarHBondContact O-CB 3.31Å; L140-R144 PolarHBondContact O-N 2.89Å |
| 141 | R | 97.3 | Very high | 94 | Very high | 152 Ų | 152 | 111 Ų | 111 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 176.1 | -176.2 | 179.2 | 179.7 | 172.3 | 0.6 | 111.3 | Q137 L138 E139 R144 L145 | Q137-R141 WeakPolarHBondContact O-CB 3.44Å; Q137-R141 PolarHBondContact O-N 3.17Å; L138-R141 WeakPolarHBondContact O-CB 2.79Å; L138-R141 PolarHBondContact O-N 3.3Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.08Å; R141-R144 PolarHBondContact O-N 3.33Å; R141-L145 HydrophobicContact CG-CD1 4.43Å; R141-L145 WeakPolarHBondContact O-CG 3.43Å; R141-L145 PolarHBondContact O-N 3.04Å |
| 142 | R | 97.7 | Very high | 95.2 | Very high | 147 Ų | 147 | 107 Ų | 107 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | 176.3 | -73.9 | 177.4 | 176.9 | 149.7 | -1.5 | 111.7 | L138 E139 R144 L145 A146 | L138-R142 WeakPolarHBondContact O-CG 3.12Å; L138-R142 PolarHBondContact O-N 2.8Å; E139-R142 PolarHBondContact O-N 3.08Å; R142-R144 VanDerWaalsContact C-N 3.33Å; R142-R144 PolarHBondContact O-N 3.49Å; R142-L145 PolarHBondContact O-N 3.04Å; R142-A146 PolarHBondContact O-N 3.37Å |
| 143 | R | 97.9 | Very high | 96.1 | Very high | 139 Ų | 139 | 103 Ų | 103 | 53% | 0.525 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176.7 | -70.3 | 177.3 | -174.3 | -162 | 1.4 | 112.5 | E139 L140 A146 A147 | E139-R143 WeakPolarHBondContact O-CG 3.48Å; E139-R143 PolarHBondContact O-N 3.47Å; E139-R143 IonicContact OE1-CZ 3.45Å; E139-R143 IonicContact OE1-NE 2.73Å; E139-R143 PolarHBondContact OE1-NE 3.28Å; E139-R143 IonicContact OE1-NH2 3.62Å; E139-R143 PolarHBondContact OE1-NH2 2.98Å; L140-R143 PolarHBondContact O-N 3.23Å; R143-A146 PolarHBondContact O-N 3.41Å; R143-A147 WeakPolarHBondContact O-CB 3.47Å; R143-A147 PolarHBondContact O-N 3.4Å |
| 144 | R | 98.1 | Very high | 96.9 | Very high | 153 Ų | 153 | 102.2 Ų | 102.2 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 175.6 | -174.2 | -179.6 | 67.2 | 179.4 | 1.9 | 111.8 | L140 R141 R142 A147 N148 | L140-R144 WeakPolarHBondContact O-CB 3.31Å; L140-R144 PolarHBondContact O-N 2.89Å; R141-R144 PolarHBondContact O-N 3.33Å; R142-R144 VanDerWaalsContact C-N 3.33Å; R142-R144 PolarHBondContact O-N 3.49Å; R144-A147 PolarHBondContact O-N 2.89Å; R144-N148 VanDerWaalsContact O-CG 3.29Å; R144-N148 PolarHBondContact O-N 2.89Å; R144-N148 PolarHBondContact O-OD1 3.34Å |
| 145 | L | 98.2 | Very high | 97.4 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177 | -69.1 | 173.9 | 0 | 0 | 0 | 111.6 | R141 R142 A147 N148 E149 | R141-L145 HydrophobicContact CG-CD1 4.43Å; R141-L145 WeakPolarHBondContact O-CG 3.43Å; R141-L145 PolarHBondContact O-N 3.04Å; R142-L145 PolarHBondContact O-N 3.04Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 2.93Å; L145-N148 PolarHBondContact O-N 2.81Å; L145-E149 PolarHBondContact O-N 3.48Å |
| 146 | A | 98 | Very high | 97.7 | Very high | 44 Ų | 44 | 102.5 Ų | 102.5 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R142 R143 R150 | R142-A146 PolarHBondContact O-N 3.37Å; R143-A146 PolarHBondContact O-N 3.41Å; A146-R150 WeakPolarHBondContact O-CG 3.46Å; A146-R150 PolarHBondContact O-N 2.73Å; A146-R150 VanDerWaalsContact O-N 3.15Å; A146-R150 PolarHBondContact O-NH1 3.44Å |
| 147 | A | 98.1 | Very high | 97.8 | Very high | 37 Ų | 37 | 101.9 Ų | 101.9 | 31% | 0.306 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R143 R144 L145 E149 R150 E151 | R143-A147 WeakPolarHBondContact O-CB 3.47Å; R143-A147 PolarHBondContact O-N 3.4Å; R144-A147 PolarHBondContact O-N 2.89Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 2.93Å; A147-E149 VanDerWaalsContact C-N 3.3Å; A147-E149 PolarHBondContact O-N 2.76Å; A147-R150 PolarHBondContact O-N 3.15Å; A147-E151 PolarHBondContact O-N 3Å |
| 148 | N | 98.8 | Very high | 98 | Very high | 97 Ų | 97 | 97.1 Ų | 97.1 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.5 | -72.6 | -4.1 | 0 | 0 | 0 | 111.7 | R144 L145 E151 R152 | R144-N148 VanDerWaalsContact O-CG 3.29Å; R144-N148 PolarHBondContact O-N 2.89Å; R144-N148 PolarHBondContact O-OD1 3.34Å; L145-N148 PolarHBondContact O-N 2.81Å; N148-E151 PolarHBondContact O-N 3.24Å; N148-R152 PolarHBondContact O-N 2.73Å |
| 149 | E | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 95.3 Ų | 95.3 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178 | -177.6 | 55.3 | -157 | 0 | 0 | 112.1 | L145 A147 E151 R152 K153 | L145-E149 PolarHBondContact O-N 3.48Å; A147-E149 VanDerWaalsContact C-N 3.3Å; A147-E149 PolarHBondContact O-N 2.76Å; E149-E151 VanDerWaalsContact C-N 3.35Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 IonicContact OE1-CZ 3.22Å; E149-R152 IonicContact OE1-NE 3.87Å; E149-R152 IonicContact OE1-NH2 2.85Å; E149-R152 PolarHBondContact OE1-NH2 3.47Å; E149-R152 IonicContact OE2-CZ 3.61Å; E149-R152 IonicContact OE2-NE 3.53Å; E149-R152 PolarHBondContact OE2-NE 3Å; E149-R152 IonicContact OE2-NH2 2.82Å; E149-R152 PolarHBondContact OE2-NH2 3.35Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.48Å; E149-K153 VanDerWaalsContact O-N 3.1Å; E149-K153 VanDerWaalsContact OE1-CE 3.26Å; E149-K153 WeakPolarHBondContact OE1-CE 3.35Å |
| 150 | R | 98.7 | Very high | 98.2 | Very high | 158 Ų | 158 | 94.2 Ų | 94.2 | 60% | 0.596 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 172 | -71.7 | -170.8 | -58.3 | -90.2 | 5.2 | 111.7 | A146 A147 K153 R154 | A146-R150 WeakPolarHBondContact O-CG 3.46Å; A146-R150 PolarHBondContact O-N 2.73Å; A146-R150 VanDerWaalsContact O-N 3.15Å; A146-R150 PolarHBondContact O-NH1 3.44Å; A147-R150 PolarHBondContact O-N 3.15Å; R150-K153 PolarHBondContact O-N 3.2Å; R150-R154 PolarHBondContact O-N 3.45Å |
| 151 | E | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 91.3 Ų | 91.3 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 178.5 | -173.5 | 54.6 | -148.2 | 0 | 0 | 112.1 | A147 N148 E149 K153 R154 M155 | A147-E151 PolarHBondContact O-N 3Å; N148-E151 PolarHBondContact O-N 3.24Å; E149-E151 VanDerWaalsContact C-N 3.35Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.33Å; E151-R154 WeakPolarHBondContact O-CB 3.39Å; E151-R154 PolarHBondContact O-N 2.93Å; E151-R154 IonicContact OE1-CZ 3.04Å; E151-R154 IonicContact OE1-NH1 3.87Å; E151-R154 PolarHBondContact OE1-NH1 3.1Å; E151-R154 WeakPolarHBondContact OE2-CD 3.5Å; E151-R154 IonicContact OE2-NH1 3.82Å; E151-M155 WeakPolarHBondContact O-CB 3.4Å; E151-M155 PolarHBondContact O-N 3.41Å |
| 152 | R | 98.6 | Very high | 98.3 | Very high | 122 Ų | 122 | 85.9 Ų | 85.9 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 173.7 | -166.9 | 178.7 | 73.4 | 98.3 | 6 | 111.4 | N148 E149 M155 N156 | N148-R152 PolarHBondContact O-N 2.73Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 IonicContact OE1-CZ 3.22Å; E149-R152 IonicContact OE1-NE 3.87Å; E149-R152 IonicContact OE1-NH2 2.85Å; E149-R152 PolarHBondContact OE1-NH2 3.47Å; E149-R152 IonicContact OE2-CZ 3.61Å; E149-R152 IonicContact OE2-NE 3.53Å; E149-R152 PolarHBondContact OE2-NE 3Å; E149-R152 IonicContact OE2-NH2 2.82Å; E149-R152 PolarHBondContact OE2-NH2 3.35Å; R152-M155 PolarHBondContact O-N 2.91Å; R152-N156 WeakPolarHBondContact O-CB 3.35Å; R152-N156 VanDerWaalsContact O-CG 3.24Å; R152-N156 PolarHBondContact O-N 3.22Å; R152-N156 PolarHBondContact O-OD1 2.76Å |
| 153 | K | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 81.8 Ų | 81.8 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.7 | -71.6 | 176.7 | -179 | 177.5 | 0 | 112.3 | I80 E149 R150 E151 M155 N156 S157 | I80-K153 VanDerWaalsContact CD1-NZ 3.29Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.48Å; E149-K153 VanDerWaalsContact O-N 3.1Å; E149-K153 VanDerWaalsContact OE1-CE 3.26Å; E149-K153 WeakPolarHBondContact OE1-CE 3.35Å; R150-K153 PolarHBondContact O-N 3.2Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.33Å; K153-M155 PolarHBondContact O-N 3.16Å; K153-N156 PolarHBondContact O-N 2.86Å; K153-S157 PolarHBondContact O-N 3.16Å |
| 154 | R | 98.5 | Very high | 98 | Very high | 148 Ų | 148 | 82.4 Ų | 82.4 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.4 | -49 | 174.6 | 178.1 | -174.7 | 167.3 | -86.3 | -6.1 | 111 | R150 E151 S157 L158 | R150-R154 PolarHBondContact O-N 3.45Å; E151-R154 WeakPolarHBondContact O-CB 3.39Å; E151-R154 PolarHBondContact O-N 2.93Å; E151-R154 IonicContact OE1-CZ 3.04Å; E151-R154 IonicContact OE1-NH1 3.87Å; E151-R154 PolarHBondContact OE1-NH1 3.1Å; E151-R154 WeakPolarHBondContact OE2-CD 3.5Å; E151-R154 IonicContact OE2-NH1 3.82Å; R154-S157 PolarHBondContact O-N 2.82Å; R154-L158 PolarHBondContact O-N 3.47Å; R154-L158 VanDerWaalsContact O-N 3.15Å |
| 155 | M | 98.7 | Very high | 98 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | -179.9 | -171.6 | 58.7 | 63.6 | 0 | 0 | 112.3 | E151 R152 K153 S157 L158 N159 | E151-M155 WeakPolarHBondContact O-CB 3.4Å; E151-M155 PolarHBondContact O-N 3.41Å; R152-M155 PolarHBondContact O-N 2.91Å; K153-M155 PolarHBondContact O-N 3.16Å; M155-S157 PolarHBondContact O-N 3.49Å; M155-L158 WeakPolarHBondContact O-CB 3.42Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-L158 HydrophobicContact SD-CD2 4.01Å; M155-N159 PolarHBondContact O-N 3.38Å; M155-N159 PolarHBondContact O-ND2 3.4Å |
| 156 | N | 98.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.2 | -74.1 | -3.3 | 0 | 0 | 0 | 111.5 | R152 K153 L158 N159 C160 | R152-N156 WeakPolarHBondContact O-CB 3.35Å; R152-N156 VanDerWaalsContact O-CG 3.24Å; R152-N156 PolarHBondContact O-N 3.22Å; R152-N156 PolarHBondContact O-OD1 2.76Å; K153-N156 PolarHBondContact O-N 2.86Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 3.05Å; N156-N159 PolarHBondContact O-N 3.29Å; N156-C160 PolarHBondContact O-N 3.43Å; N156-C160 PolarHBondContact O-SG 3.29Å; N156-C160 VanDerWaalsContact O-SG 3.32Å |
| 157 | S | 97.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 43% | 0.434 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 175 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | K153 R154 M155 A161 | K153-S157 PolarHBondContact O-N 3.16Å; R154-S157 PolarHBondContact O-N 2.82Å; M155-S157 PolarHBondContact O-N 3.49Å; S157-A161 PolarHBondContact O-N 2.88Å |
| 158 | L | 98.5 | Very high | 97.3 | Very high | 75 Ų | 75 | 82.6 Ų | 82.6 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.7 | 177.6 | 62.6 | 0 | 0 | 0 | 111.1 | R154 M155 N156 C160 A161 F162 | R154-L158 PolarHBondContact O-N 3.47Å; R154-L158 VanDerWaalsContact O-N 3.15Å; M155-L158 WeakPolarHBondContact O-CB 3.42Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-L158 HydrophobicContact SD-CD2 4.01Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 3.05Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-C160 PolarHBondContact O-N 3.37Å; L158-A161 WeakPolarHBondContact O-CB 3.24Å; L158-A161 PolarHBondContact O-N 3.36Å; L158-A161 VanDerWaalsContact O-N 3.09Å; L158-F162 HydrophobicContact CD1-CD2 4.39Å; L158-F162 HydrophobicContact CD1-CE2 4.24Å; L158-F162 HydrophobicContact CG-CD2 4.41Å; L158-F162 HydrophobicContact CG-CE2 4.41Å; L158-F162 PolarHBondContact O-N 2.76Å; L158-F162 VanDerWaalsContact O-N 3.13Å |
| 159 | N | 98 | Very high | 97.1 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.2 | -68.3 | -27 | 0 | 0 | 0 | 111.5 | M155 N156 A161 F162 D163 K180 | M155-N159 PolarHBondContact O-N 3.38Å; M155-N159 PolarHBondContact O-ND2 3.4Å; N156-N159 PolarHBondContact O-N 3.29Å; N159-A161 PolarHBondContact O-N 3.4Å; N159-F162 WeakPolarHBondContact O-CA 3.38Å; N159-F162 VanDerWaalsContact O-CB 3.32Å; N159-F162 WeakPolarHBondContact O-CB 3.32Å; N159-F162 PolarHBondContact O-N 2.9Å; N159-D163 PolarHBondContact O-N 2.78Å; N159-K180 WeakPolarHBondContact OD1-CE 3.47Å; N159-K180 PolarHBondContact OD1-NZ 3.34Å |
| 160 | C | 97.5 | Very high | 96.8 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 173 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | N156 L158 D163 R164 | N156-C160 PolarHBondContact O-N 3.43Å; N156-C160 PolarHBondContact O-SG 3.29Å; N156-C160 VanDerWaalsContact O-SG 3.32Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-C160 PolarHBondContact O-N 3.37Å; C160-D163 PolarHBondContact O-N 2.92Å; C160-R164 WeakPolarHBondContact O-CG 3.45Å; C160-R164 PolarHBondContact O-N 2.91Å; C160-R164 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 98.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S157 L158 N159 D163 R164 L165 | S157-A161 PolarHBondContact O-N 2.88Å; L158-A161 WeakPolarHBondContact O-CB 3.24Å; L158-A161 PolarHBondContact O-N 3.36Å; L158-A161 VanDerWaalsContact O-N 3.09Å; N159-A161 PolarHBondContact O-N 3.4Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-R164 VanDerWaalsContact CB-NH2 3.34Å; A161-R164 PolarHBondContact O-N 3.27Å; A161-L165 PolarHBondContact O-N 2.99Å; A161-L165 VanDerWaalsContact O-N 3.14Å |
| 162 | F | 98.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 170.9 | -91.6 | -88.6 | 0 | 0 | 0 | 112.1 | L158 N159 L165 R166 K180 T183 L184 | L158-F162 HydrophobicContact CD1-CD2 4.39Å; L158-F162 HydrophobicContact CD1-CE2 4.24Å; L158-F162 HydrophobicContact CG-CD2 4.41Å; L158-F162 HydrophobicContact CG-CE2 4.41Å; L158-F162 PolarHBondContact O-N 2.76Å; L158-F162 VanDerWaalsContact O-N 3.13Å; N159-F162 WeakPolarHBondContact O-CA 3.38Å; N159-F162 VanDerWaalsContact O-CB 3.32Å; N159-F162 WeakPolarHBondContact O-CB 3.32Å; N159-F162 PolarHBondContact O-N 2.9Å; F162-L165 WeakPolarHBondContact O-CB 3.44Å; F162-L165 PolarHBondContact O-N 3.24Å; F162-R166 WeakPolarHBondContact O-CG 3.14Å; F162-R166 PolarHBondContact O-N 2.83Å; F162-K180 HydrophobicContact CD1-CB 4.49Å; F162-K180 HydrophobicContact CD1-CG 4.24Å; F162-K180 HydrophobicContact CE1-CB 4.02Å; F162-K180 HydrophobicContact CE1-CG 4.13Å; F162-K180 HydrophobicContact CZ-CB 4.47Å; F162-K180 HydrophobicContact CZ-CD 4.47Å; F162-K180 HydrophobicContact CZ-CG 4.48Å; F162-T183 HydrophobicContact CD1-CG2 4.34Å; F162-L184 HydrophobicContact CE1-CD2 4.23Å; F162-L184 HydrophobicContact CE1-CG 4.17Å |
| 163 | D | 94.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.1 | -63.4 | -35.2 | 0 | 0 | 0 | 112 | N159 C160 A161 L165 R166 N167 | N159-D163 PolarHBondContact O-N 2.78Å; C160-D163 PolarHBondContact O-N 2.92Å; A161-D163 VanDerWaalsContact C-N 3.34Å; D163-L165 VanDerWaalsContact C-N 3.3Å; D163-L165 PolarHBondContact O-N 3.2Å; D163-R166 WeakPolarHBondContact O-CB 3.49Å; D163-R166 PolarHBondContact O-N 3.13Å; D163-R166 IonicContact OD1-CZ 2.93Å; D163-R166 IonicContact OD1-NH1 2.66Å; D163-R166 PolarHBondContact OD1-NH1 2.85Å; D163-N167 VanDerWaalsContact O-CG 3.27Å; D163-N167 PolarHBondContact O-N 2.93Å; D163-N167 VanDerWaalsContact O-N 3.12Å; D163-N167 PolarHBondContact O-OD1 2.87Å |
| 164 | R | 95.6 | Very high | 91.2 | Very high | 151 Ų | 151 | 76.9 Ų | 76.9 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 173.9 | -67.9 | -170.5 | -47 | -95.3 | 1.9 | 112.6 | C160 A161 N167 | C160-R164 WeakPolarHBondContact O-CG 3.45Å; C160-R164 PolarHBondContact O-N 2.91Å; C160-R164 VanDerWaalsContact O-N 3.1Å; A161-R164 VanDerWaalsContact CB-NH2 3.34Å; A161-R164 PolarHBondContact O-N 3.27Å; R164-N167 PolarHBondContact O-N 3.38Å |
| 165 | L | 96.9 | Very high | 90 | Very high | 54 Ų | 54 | 73.6 Ų | 73.6 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.6 | -179.6 | 58 | 0 | 0 | 0 | 110.3 | A161 F162 D163 N167 V168 L169 T183 A187 | A161-L165 PolarHBondContact O-N 2.99Å; A161-L165 VanDerWaalsContact O-N 3.14Å; F162-L165 WeakPolarHBondContact O-CB 3.44Å; F162-L165 PolarHBondContact O-N 3.24Å; D163-L165 VanDerWaalsContact C-N 3.3Å; D163-L165 PolarHBondContact O-N 3.2Å; L165-N167 PolarHBondContact O-N 3.43Å; L165-V168 HydrophobicContact CD1-CG2 4.17Å; L165-V168 WeakPolarHBondContact O-CG2 3.47Å; L165-V168 PolarHBondContact O-N 3.41Å; L165-V168 VanDerWaalsContact O-N 3.11Å; L165-L169 HydrophobicContact CD1-CD2 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.88Å; L165-T183 HydrophobicContact CB-CG2 4.35Å; L165-T183 HydrophobicContact CD2-CG2 3.81Å; L165-T183 HydrophobicContact CG-CG2 3.92Å; L165-A187 HydrophobicContact CD1-CB 4.11Å; L165-A187 HydrophobicContact CD2-CB 4.14Å; L165-A187 HydrophobicContact CG-CB 4.42Å |
| 166 | R | 94.4 | Very high | 89.3 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.5 | -35.9 | 177.2 | -67.1 | 166.6 | -177.8 | 158.8 | -8.8 | 113 | F162 D163 V168 L169 L178 T183 | F162-R166 WeakPolarHBondContact O-CG 3.14Å; F162-R166 PolarHBondContact O-N 2.83Å; D163-R166 WeakPolarHBondContact O-CB 3.49Å; D163-R166 PolarHBondContact O-N 3.13Å; D163-R166 IonicContact OD1-CZ 2.93Å; D163-R166 IonicContact OD1-NH1 2.66Å; D163-R166 PolarHBondContact OD1-NH1 2.85Å; R166-V168 VanDerWaalsContact C-N 3.27Å; R166-V168 PolarHBondContact O-N 2.97Å; R166-L169 PolarHBondContact O-N 3.35Å; R166-L178 PolarHBondContact NE-O 2.95Å; R166-L178 VanDerWaalsContact NE-O 3.17Å; R166-L178 PolarHBondContact NH2-O 3.22Å; R166-T183 HydrophobicContact CG-CG2 3.7Å; R166-T183 PolarHBondContact NE-OG1 3.36Å |
| 167 | N | 92.7 | Very high | 88.8 | Confident | 134 Ų | 134 | 82 Ų | 82 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.2 | -22 | -179 | -65.8 | -15.5 | 0 | 0 | 0 | 114.2 | D163 R164 L165 | D163-N167 VanDerWaalsContact O-CG 3.27Å; D163-N167 PolarHBondContact O-N 2.93Å; D163-N167 VanDerWaalsContact O-N 3.12Å; D163-N167 PolarHBondContact O-OD1 2.87Å; R164-N167 PolarHBondContact O-N 3.38Å; L165-N167 PolarHBondContact O-N 3.43Å |
| 168 | V | 94.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -99.6 | -6.1 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | L165 R166 Y190 | L165-V168 HydrophobicContact CD1-CG2 4.17Å; L165-V168 WeakPolarHBondContact O-CG2 3.47Å; L165-V168 PolarHBondContact O-N 3.41Å; L165-V168 VanDerWaalsContact O-N 3.11Å; R166-V168 VanDerWaalsContact C-N 3.27Å; R166-V168 PolarHBondContact O-N 2.97Å; V168-Y190 VanDerWaalsContact O-CE1 3.31Å; V168-Y190 WeakPolarHBondContact O-CE1 3.45Å |
| 169 | L | 94.5 | Very high | 88.3 | Confident | 13 Ų | 13 | 78.9 Ų | 78.9 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -77.3 | 148.8 | 173 | -64 | -179.8 | 0 | 0 | 0 | 110.1 | L165 R166 S171 L178 T183 M186 A187 Y190 | L165-L169 HydrophobicContact CD1-CD2 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.88Å; R166-L169 PolarHBondContact O-N 3.35Å; L169-S171 PolarHBondContact O-N 3.22Å; L169-L178 HydrophobicContact CD1-CD1 4.17Å; L169-T183 HydrophobicContact CD1-CG2 3.9Å; L169-M186 HydrophobicContact CB-CG 4.37Å; L169-M186 HydrophobicContact CB-SD 3.97Å; L169-M186 HydrophobicContact CD1-CB 4.06Å; L169-M186 HydrophobicContact CD1-CG 3.97Å; L169-M186 HydrophobicContact CD1-SD 4.05Å; L169-M186 HydrophobicContact CD2-CG 4.3Å; L169-M186 HydrophobicContact CG-CG 4.42Å; L169-A187 HydrophobicContact CD2-CB 3.87Å; L169-Y190 HydrophobicContact CD2-CD1 4.07Å |
| 170 | P | 91.2 | Very high | 88.3 | Confident | 70 Ų | 70 | 80.8 Ų | 80.8 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 124.4 | 173.6 | 21.1 | -31.5 | 0 | 0 | 0 | 110.2 | I172 Y190 | P170-I172 PolarHBondContact O-N 2.7Å; P170-Y190 HydrophobicContact CG-CD2 4.23Å; P170-Y190 HydrophobicContact CG-CG 4.43Å |
| 171 | S | 74.1 | Confident | 88.3 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 72% | 0.72 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 121.7 | -171.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L169 E173 | L169-S171 PolarHBondContact O-N 3.22Å; S171-E173 PolarHBondContact O-N 3.01Å |
| 172 | I | 67.9 | Low | 88.2 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -79 | 118.9 | 166.4 | -60 | 153.8 | 0 | 0 | 0 | 106.7 | P170 S174 L178 M186 | P170-I172 PolarHBondContact O-N 2.7Å; I172-S174 VanDerWaalsContact CG2-OG 3.31Å; I172-S174 WeakPolarHBondContact CG2-OG 3.47Å; I172-S174 PolarHBondContact O-N 2.83Å; I172-L178 HydrophobicContact CD1-CD1 3.46Å; I172-L178 VanDerWaalsContact CD1-CD1 3.46Å; I172-L178 HydrophobicContact CD1-CD2 3.08Å; I172-L178 HydrophobicContact CD1-CG 3.26Å; I172-M186 HydrophobicContact CD1-CE 3.55Å; I172-M186 HydrophobicContact CD1-SD 4.12Å; I172-M186 HydrophobicContact CG1-CE 3.76Å; I172-M186 HydrophobicContact CG1-SD 4.32Å |
| 173 | E | 67.1 | Low | 88.1 | Confident | 187 Ų | 187 | 85.5 Ų | 85.5 | 87% | 0.874 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -5.4 | -175.8 | -58.8 | 102.5 | 173.7 | 0 | 0 | 114.2 | S171 G175 | S171-E173 PolarHBondContact O-N 3.01Å; E173-G175 PolarHBondContact O-N 2.9Å; E173-G175 VanDerWaalsContact O-N 3.17Å |
| 174 | S | 67.3 | Low | 88.3 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.6 | -174.5 | 72 | 0 | 0 | 0 | 0 | 115.3 | I172 K176 | I172-S174 VanDerWaalsContact CG2-OG 3.31Å; I172-S174 WeakPolarHBondContact CG2-OG 3.47Å; I172-S174 PolarHBondContact O-N 2.83Å; S174-K176 WeakPolarHBondContact O-CG 3.43Å; S174-K176 PolarHBondContact O-N 2.75Å; S174-K176 PolarHBondContact OG-N 2.99Å |
| 175 | G | 73.8 | Confident | 88.4 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 81% | 0.814 | 46% | 0.462 | S | S | * | . | trans | 62.6 | 1.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E173 | E173-G175 PolarHBondContact O-N 2.9Å; E173-G175 VanDerWaalsContact O-N 3.17Å | ||
| 176 | K | 84.9 | Confident | 88.3 | Confident | 160 Ų | 160 | 83.7 Ų | 83.7 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -93.2 | 132.1 | 178.5 | -62.1 | 173.6 | 81 | 177.9 | 0 | 108.8 | S174 | S174-K176 WeakPolarHBondContact O-CG 3.43Å; S174-K176 PolarHBondContact O-N 2.75Å; S174-K176 PolarHBondContact OG-N 2.99Å |
| 177 | N | 87.1 | Confident | 88.5 | Confident | 139 Ų | 139 | 81.7 Ų | 81.7 | 74% | 0.743 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 132.6 | 171.5 | -73.4 | -36.5 | 0 | 0 | 0 | 110.2 | ||
| 178 | L | 92.5 | Very high | 88.8 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.131 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.1 | 174 | -75.6 | 176.1 | 0 | 0 | 0 | 112.6 | R166 L169 I172 E182 T183 M186 | R166-L178 PolarHBondContact NE-O 2.95Å; R166-L178 VanDerWaalsContact NE-O 3.17Å; R166-L178 PolarHBondContact NH2-O 3.22Å; L169-L178 HydrophobicContact CD1-CD1 4.17Å; I172-L178 HydrophobicContact CD1-CD1 3.46Å; I172-L178 VanDerWaalsContact CD1-CD1 3.46Å; I172-L178 HydrophobicContact CD1-CD2 3.08Å; I172-L178 HydrophobicContact CD1-CG 3.26Å; L178-E182 HydrophobicContact CB-CB 4.27Å; L178-E182 HydrophobicContact CD2-CB 3.69Å; L178-E182 HydrophobicContact CD2-CG 4.45Å; L178-E182 HydrophobicContact CG-CB 4.46Å; L178-T183 WeakPolarHBondContact CB-OG1 3.49Å; L178-M186 HydrophobicContact CD1-CB 4.49Å; L178-M186 HydrophobicContact CD1-CE 4.04Å; L178-M186 HydrophobicContact CD1-SD 3.7Å |
| 179 | S | 94.7 | Very high | 88.9 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -64 | 165.6 | 166.4 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | I181 E182 T183 | S179-I181 VanDerWaalsContact C-N 3.3Å; S179-I181 PolarHBondContact O-N 2.65Å; S179-I181 WeakPolarHBondContact OG-CG2 3.26Å; S179-E182 WeakPolarHBondContact CB-OE2 3.37Å; S179-E182 PolarHBondContact N-OE2 3.02Å; S179-E182 PolarHBondContact O-N 2.68Å; S179-E182 VanDerWaalsContact OG-CG 3.24Å; S179-E182 WeakPolarHBondContact OG-CG 3.31Å; S179-E182 PolarHBondContact OG-N 3.33Å; S179-E182 PolarHBondContact OG-OE2 2.97Å; S179-T183 WeakPolarHBondContact O-CB 3.37Å; S179-T183 PolarHBondContact O-N 2.71Å; S179-T183 PolarHBondContact O-OG1 3.21Å |
| 180 | K | 97.3 | Very high | 89 | Confident | 91 Ų | 91 | 83.7 Ų | 83.7 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 180 | -69.5 | -173 | 175.5 | -173 | 0 | 112.1 | N159 F162 L184 | N159-K180 WeakPolarHBondContact OD1-CE 3.47Å; N159-K180 PolarHBondContact OD1-NZ 3.34Å; F162-K180 HydrophobicContact CD1-CB 4.49Å; F162-K180 HydrophobicContact CD1-CG 4.24Å; F162-K180 HydrophobicContact CE1-CB 4.02Å; F162-K180 HydrophobicContact CE1-CG 4.13Å; F162-K180 HydrophobicContact CZ-CB 4.47Å; F162-K180 HydrophobicContact CZ-CD 4.47Å; F162-K180 HydrophobicContact CZ-CG 4.48Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 2.98Å |
| 181 | I | 98 | Very high | 89.3 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 55% | 0.549 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.5 | -45.8 | 179.4 | -179.7 | 60.3 | 0 | 0 | 0 | 111.3 | S179 T183 L184 L185 | S179-I181 VanDerWaalsContact C-N 3.3Å; S179-I181 PolarHBondContact O-N 2.65Å; S179-I181 WeakPolarHBondContact OG-CG2 3.26Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.81Å; I181-L184 PolarHBondContact O-N 2.96Å; I181-L184 VanDerWaalsContact O-N 3.17Å; I181-L185 HydrophobicContact CD1-CD1 4.27Å; I181-L185 HydrophobicContact CD1-CG 4.15Å; I181-L185 HydrophobicContact CG1-CD1 4.07Å; I181-L185 HydrophobicContact CG1-CG 4.39Å; I181-L185 WeakPolarHBondContact O-CG 3.42Å; I181-L185 PolarHBondContact O-N 3.39Å |
| 182 | E | 95.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 85.6 Ų | 85.6 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.7 | -67.7 | 162.3 | 140.6 | 0 | 0 | 111.6 | L178 S179 L184 L185 M186 | L178-E182 HydrophobicContact CB-CB 4.27Å; L178-E182 HydrophobicContact CD2-CB 3.69Å; L178-E182 HydrophobicContact CD2-CG 4.45Å; L178-E182 HydrophobicContact CG-CB 4.46Å; S179-E182 WeakPolarHBondContact CB-OE2 3.37Å; S179-E182 PolarHBondContact N-OE2 3.02Å; S179-E182 PolarHBondContact O-N 2.68Å; S179-E182 VanDerWaalsContact OG-CG 3.24Å; S179-E182 WeakPolarHBondContact OG-CG 3.31Å; S179-E182 PolarHBondContact OG-N 3.33Å; S179-E182 PolarHBondContact OG-OE2 2.97Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.48Å; E182-L185 PolarHBondContact O-N 3.28Å; E182-M186 VanDerWaalsContact O-CB 3.27Å; E182-M186 WeakPolarHBondContact O-CB 3.47Å; E182-M186 PolarHBondContact O-N 3.04Å |
| 183 | T | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 176 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | F162 L165 R166 L169 L178 S179 I181 A187 | F162-T183 HydrophobicContact CD1-CG2 4.34Å; L165-T183 HydrophobicContact CB-CG2 4.35Å; L165-T183 HydrophobicContact CD2-CG2 3.81Å; L165-T183 HydrophobicContact CG-CG2 3.92Å; R166-T183 HydrophobicContact CG-CG2 3.7Å; R166-T183 PolarHBondContact NE-OG1 3.36Å; L169-T183 HydrophobicContact CD1-CG2 3.9Å; L178-T183 WeakPolarHBondContact CB-OG1 3.49Å; S179-T183 WeakPolarHBondContact O-CB 3.37Å; S179-T183 PolarHBondContact O-N 2.71Å; S179-T183 PolarHBondContact O-OG1 3.21Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.81Å; T183-A187 VanDerWaalsContact O-CB 3.27Å; T183-A187 WeakPolarHBondContact O-CB 3.45Å; T183-A187 PolarHBondContact O-N 3.28Å |
| 184 | L | 98.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 79.6 Ų | 79.6 | 42% | 0.419 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.4 | -44.7 | 179.3 | -68 | 172.8 | 0 | 0 | 0 | 112.1 | F162 K180 I181 E182 A187 Q188 | F162-L184 HydrophobicContact CE1-CD2 4.23Å; F162-L184 HydrophobicContact CE1-CG 4.17Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 2.98Å; I181-L184 PolarHBondContact O-N 2.96Å; I181-L184 VanDerWaalsContact O-N 3.17Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.48Å; L184-A187 PolarHBondContact O-N 2.98Å; L184-Q188 WeakPolarHBondContact O-CG 3.43Å; L184-Q188 PolarHBondContact O-N 3.01Å |
| 185 | L | 96.8 | Very high | 94.5 | Very high | 96 Ų | 96 | 81.8 Ų | 81.8 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 178.6 | -68.5 | 176.2 | 0 | 0 | 0 | 111.4 | I181 E182 Q188 E189 | I181-L185 HydrophobicContact CD1-CD1 4.27Å; I181-L185 HydrophobicContact CD1-CG 4.15Å; I181-L185 HydrophobicContact CG1-CD1 4.07Å; I181-L185 HydrophobicContact CG1-CG 4.39Å; I181-L185 WeakPolarHBondContact O-CG 3.42Å; I181-L185 PolarHBondContact O-N 3.39Å; E182-L185 PolarHBondContact O-N 3.28Å; L185-Q188 WeakPolarHBondContact O-CB 3.49Å; L185-Q188 PolarHBondContact O-N 2.8Å; L185-E189 PolarHBondContact O-N 2.85Å |
| 186 | M | 95.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 83 Ų | 83 | 26% | 0.261 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 176.6 | -178.9 | 172.6 | -66.7 | 0 | 0 | 112.1 | L169 I172 L178 E182 Q188 E189 Y190 | L169-M186 HydrophobicContact CB-CG 4.37Å; L169-M186 HydrophobicContact CB-SD 3.97Å; L169-M186 HydrophobicContact CD1-CB 4.06Å; L169-M186 HydrophobicContact CD1-CG 3.97Å; L169-M186 HydrophobicContact CD1-SD 4.05Å; L169-M186 HydrophobicContact CD2-CG 4.3Å; L169-M186 HydrophobicContact CG-CG 4.42Å; I172-M186 HydrophobicContact CD1-CE 3.55Å; I172-M186 HydrophobicContact CD1-SD 4.12Å; I172-M186 HydrophobicContact CG1-CE 3.76Å; I172-M186 HydrophobicContact CG1-SD 4.32Å; L178-M186 HydrophobicContact CD1-CB 4.49Å; L178-M186 HydrophobicContact CD1-CE 4.04Å; L178-M186 HydrophobicContact CD1-SD 3.7Å; E182-M186 VanDerWaalsContact O-CB 3.27Å; E182-M186 WeakPolarHBondContact O-CB 3.47Å; E182-M186 PolarHBondContact O-N 3.04Å; M186-Q188 VanDerWaalsContact C-N 3.33Å; M186-Q188 PolarHBondContact O-N 2.71Å; M186-E189 PolarHBondContact O-N 2.79Å; M186-Y190 VanDerWaalsContact O-CB 3.23Å; M186-Y190 WeakPolarHBondContact O-CB 3.44Å; M186-Y190 PolarHBondContact O-N 3.27Å |
| 187 | A | 98.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 80.9 Ų | 80.9 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L165 L169 T183 L184 Y190 I191 | L165-A187 HydrophobicContact CD1-CB 4.11Å; L165-A187 HydrophobicContact CD2-CB 4.14Å; L165-A187 HydrophobicContact CG-CB 4.42Å; L169-A187 HydrophobicContact CD2-CB 3.87Å; T183-A187 VanDerWaalsContact O-CB 3.27Å; T183-A187 WeakPolarHBondContact O-CB 3.45Å; T183-A187 PolarHBondContact O-N 3.28Å; L184-A187 PolarHBondContact O-N 2.98Å; A187-Y190 PolarHBondContact O-N 3.39Å; A187-I191 WeakPolarHBondContact O-CD1 3.2Å; A187-I191 WeakPolarHBondContact O-CG1 3.48Å; A187-I191 PolarHBondContact O-N 3.41Å |
| 188 | Q | 98.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 175.4 | -73.2 | 177.2 | -8.9 | 0 | 0 | 111.6 | L184 L185 M186 I191 R192 | L184-Q188 WeakPolarHBondContact O-CG 3.43Å; L184-Q188 PolarHBondContact O-N 3.01Å; L185-Q188 WeakPolarHBondContact O-CB 3.49Å; L185-Q188 PolarHBondContact O-N 2.8Å; M186-Q188 VanDerWaalsContact C-N 3.33Å; M186-Q188 PolarHBondContact O-N 2.71Å; Q188-I191 PolarHBondContact O-N 3.32Å; Q188-R192 WeakPolarHBondContact O-CG 3.21Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 VanDerWaalsContact O-N 3.15Å |
| 189 | E | 97 | Very high | 96.2 | Very high | 97 Ų | 97 | 83.7 Ų | 83.7 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -42 | 179.4 | -171.8 | 60.3 | -169.4 | 0 | 0 | 112.1 | L185 M186 I191 R192 V193 | L185-E189 PolarHBondContact O-N 2.85Å; M186-E189 PolarHBondContact O-N 2.79Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.27Å; E189-R192 PolarHBondContact O-N 2.85Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 3.34Å; E189-V193 HydrophobicContact CG-CG2 4.46Å; E189-V193 WeakPolarHBondContact O-CG2 3.32Å; E189-V193 PolarHBondContact O-N 3.48Å |
| 190 | Y | 97 | Very high | 95.7 | Very high | 86 Ų | 86 | 83.9 Ų | 83.9 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 179 | -176.1 | -139 | 0 | 0 | 0 | 111.6 | V168 L169 P170 M186 A187 R192 V193 L194 | V168-Y190 VanDerWaalsContact O-CE1 3.31Å; V168-Y190 WeakPolarHBondContact O-CE1 3.45Å; L169-Y190 HydrophobicContact CD2-CD1 4.07Å; P170-Y190 HydrophobicContact CG-CD2 4.23Å; P170-Y190 HydrophobicContact CG-CG 4.43Å; M186-Y190 VanDerWaalsContact O-CB 3.23Å; M186-Y190 WeakPolarHBondContact O-CB 3.44Å; M186-Y190 PolarHBondContact O-N 3.27Å; A187-Y190 PolarHBondContact O-N 3.39Å; Y190-R192 PolarHBondContact O-N 2.75Å; Y190-V193 PolarHBondContact O-N 3.22Å; Y190-L194 HydrophobicContact CD1-CD1 4.25Å; Y190-L194 HydrophobicContact CD2-CD1 4.19Å; Y190-L194 HydrophobicContact CD2-CG 4.03Å; Y190-L194 HydrophobicContact CE1-CD1 3.89Å; Y190-L194 HydrophobicContact CE2-CD1 3.82Å; Y190-L194 HydrophobicContact CE2-CD2 3.8Å; Y190-L194 HydrophobicContact CE2-CG 3.73Å; Y190-L194 HydrophobicContact CG-CD1 4.39Å; Y190-L194 VanDerWaalsContact O-CG 3.25Å; Y190-L194 WeakPolarHBondContact O-CG 3.28Å; Y190-L194 PolarHBondContact O-N 2.81Å |
| 191 | I | 97.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 174.3 | -68.5 | 164.4 | 0 | 0 | 0 | 110.5 | A187 Q188 E189 V193 L194 E195 | A187-I191 WeakPolarHBondContact O-CD1 3.2Å; A187-I191 WeakPolarHBondContact O-CG1 3.48Å; A187-I191 PolarHBondContact O-N 3.41Å; Q188-I191 PolarHBondContact O-N 3.32Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.27Å; I191-V193 PolarHBondContact O-N 3.02Å; I191-L194 PolarHBondContact O-N 3.17Å; I191-E195 HydrophobicContact CG2-CG 4.36Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.49Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 3.48Å |
| 192 | R | 96.6 | Very high | 93 | Very high | 122 Ų | 122 | 82.5 Ų | 82.5 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 179.2 | -71.2 | 176.1 | -172.4 | 140.6 | 1.4 | 112.5 | Q188 E189 Y190 L194 E195 E196 | Q188-R192 WeakPolarHBondContact O-CG 3.21Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 VanDerWaalsContact O-N 3.15Å; E189-R192 PolarHBondContact O-N 2.85Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 3.34Å; Y190-R192 PolarHBondContact O-N 2.75Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 3.38Å; R192-E195 WeakPolarHBondContact O-CB 3.11Å; R192-E195 PolarHBondContact O-N 2.93Å; R192-E195 VanDerWaalsContact O-N 3.13Å; R192-E196 WeakPolarHBondContact O-CG 3.14Å; R192-E196 PolarHBondContact O-N 3.28Å |
| 193 | V | 95.2 | Very high | 91.2 | Very high | 56 Ų | 56 | 82.6 Ų | 82.6 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 179 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | E189 Y190 I191 E196 L197 | E189-V193 HydrophobicContact CG-CG2 4.46Å; E189-V193 WeakPolarHBondContact O-CG2 3.32Å; E189-V193 PolarHBondContact O-N 3.48Å; Y190-V193 PolarHBondContact O-N 3.22Å; I191-V193 PolarHBondContact O-N 3.02Å; V193-E196 PolarHBondContact O-N 3.32Å; V193-L197 HydrophobicContact CG1-CD1 3.89Å; V193-L197 HydrophobicContact CG1-CG 4.34Å; V193-L197 WeakPolarHBondContact O-CB 3.07Å; V193-L197 WeakPolarHBondContact O-CG 3.21Å; V193-L197 PolarHBondContact O-N 3.26Å |
| 194 | L | 96 | Very high | 88.9 | Confident | 66 Ų | 66 | 95.8 Ų | 95.8 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.2 | -69 | 176.9 | 0 | 0 | 0 | 112.2 | Y190 I191 R192 L197 I198 | Y190-L194 HydrophobicContact CD1-CD1 4.25Å; Y190-L194 HydrophobicContact CD2-CD1 4.19Å; Y190-L194 HydrophobicContact CD2-CG 4.03Å; Y190-L194 HydrophobicContact CE1-CD1 3.89Å; Y190-L194 HydrophobicContact CE2-CD1 3.82Å; Y190-L194 HydrophobicContact CE2-CD2 3.8Å; Y190-L194 HydrophobicContact CE2-CG 3.73Å; Y190-L194 HydrophobicContact CG-CD1 4.39Å; Y190-L194 VanDerWaalsContact O-CG 3.25Å; Y190-L194 WeakPolarHBondContact O-CG 3.28Å; Y190-L194 PolarHBondContact O-N 2.81Å; I191-L194 PolarHBondContact O-N 3.17Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 3.38Å; L194-L197 PolarHBondContact O-N 3.14Å; L194-I198 WeakPolarHBondContact O-CB 3.38Å; L194-I198 WeakPolarHBondContact O-CD1 3.23Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 3.05Å |
| 195 | E | 96.8 | Very high | 88.4 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176 | -72.5 | 171.9 | 171.2 | 0 | 0 | 111.8 | I191 R192 I198 S199 | I191-E195 HydrophobicContact CG2-CG 4.36Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.49Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 3.48Å; R192-E195 WeakPolarHBondContact O-CB 3.11Å; R192-E195 PolarHBondContact O-N 2.93Å; R192-E195 VanDerWaalsContact O-N 3.13Å; E195-I198 PolarHBondContact O-N 2.76Å; E195-S199 VanDerWaalsContact O-CB 3.24Å; E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 2.93Å; E195-S199 PolarHBondContact O-OG 2.7Å |
| 196 | E | 94.8 | Very high | 88 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 178 | -72.1 | 175.3 | -165.5 | 0 | 0 | 112.6 | R192 V193 S199 G200 N201 G202 | R192-E196 WeakPolarHBondContact O-CG 3.14Å; R192-E196 PolarHBondContact O-N 3.28Å; V193-E196 PolarHBondContact O-N 3.32Å; E196-S199 PolarHBondContact O-N 2.92Å; E196-G200 PolarHBondContact O-N 2.74Å; E196-N201 PolarHBondContact O-N 2.81Å; E196-G202 PolarHBondContact O-N 3.06Å |
| 197 | L | 92.8 | Very high | 87.5 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 176.2 | -73.1 | 171.1 | 0 | 0 | 0 | 111.6 | V193 L194 | V193-L197 HydrophobicContact CG1-CD1 3.89Å; V193-L197 HydrophobicContact CG1-CG 4.34Å; V193-L197 WeakPolarHBondContact O-CB 3.07Å; V193-L197 WeakPolarHBondContact O-CG 3.21Å; V193-L197 PolarHBondContact O-N 3.26Å; L194-L197 PolarHBondContact O-N 3.14Å |
| 198 | I | 94.7 | Very high | 86.9 | Confident | 146 Ų | 146 | 104.2 Ų | 104.2 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.9 | -35.8 | 179 | -67.3 | 165.9 | 0 | 0 | 0 | 111.3 | L194 E195 G200 | L194-I198 WeakPolarHBondContact O-CB 3.38Å; L194-I198 WeakPolarHBondContact O-CD1 3.23Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 3.05Å; E195-I198 PolarHBondContact O-N 2.76Å; I198-G200 PolarHBondContact O-N 3.21Å |
| 199 | S | 92.9 | Very high | 86.2 | Confident | 78 Ų | 78 | 104.6 Ų | 104.6 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.1 | -8.7 | -179.6 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | E195 E196 N201 | E195-S199 VanDerWaalsContact O-CB 3.24Å; E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 2.93Å; E195-S199 PolarHBondContact O-OG 2.7Å; E196-S199 PolarHBondContact O-N 2.92Å; S199-N201 WeakPolarHBondContact CB-OD1 3.41Å; S199-N201 PolarHBondContact O-N 2.73Å; S199-N201 PolarHBondContact O-OD1 2.77Å |
| 200 | G | 82.9 | Confident | 85.5 | Confident | 51 Ų | 51 | 105.1 Ų | 105.1 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.2 | 10.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E196 I198 | E196-G200 PolarHBondContact O-N 2.74Å; I198-G200 PolarHBondContact O-N 3.21Å |
| 201 | N | 75 | Confident | 84.6 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 65% | 0.652 | 58% | 0.579 | S | S | * | * | trans | -82.3 | -16.3 | 176.1 | -61.1 | 98.6 | 0 | 0 | 0 | 112.4 | E196 S199 S203 | E196-N201 PolarHBondContact O-N 2.81Å; S199-N201 WeakPolarHBondContact CB-OD1 3.41Å; S199-N201 PolarHBondContact O-N 2.73Å; S199-N201 PolarHBondContact O-OD1 2.77Å; N201-S203 PolarHBondContact O-N 2.67Å; N201-S203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | G | 63.2 | Low | 83.6 | Confident | 47 Ų | 47 | 107.6 Ų | 107.6 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | trans | -71.5 | 4.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E196 | E196-G202 PolarHBondContact O-N 3.06Š| ||
| 203 | S | 59 | Low | 82.5 | Confident | 101 Ų | 101 | 106.4 Ų | 106.4 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -110.1 | 76.4 | 175.5 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | N201 | N201-S203 PolarHBondContact O-N 2.67Å; N201-S203 VanDerWaalsContact O-N 3.11Å | ||
| 204 | K | 47.4 | Very low | 81.4 | Confident | 277 Ų | 277 | 111 Ų | 111 | 100% | 1.204 | 62% | 0.621 | S | S | * | * | trans | -151.6 | 0 | 159.6 | -108.1 | -172 | -173.7 | -176 | 0 | 112.3 |
Retrieved 204 of 204 residues in 69.1 ms
(Link to these results)