| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.2 | Very low | 49 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 100% | 1.217 | 84% | 0.84 | S | S | * | * | 0 | 100.8 | 0 | -70.8 | 173.1 | 172.3 | 0 | 0 | 107.4 | |||||
| 2 | A | 54.6 | Low | 48.5 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | 165.7 | 102.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | D | 47.5 | Very low | 48.7 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | trans | -59.2 | 141.6 | 165.2 | -105.5 | -86.8 | 0 | 0 | 0 | 111 | ||||
| 4 | G | 60.2 | Low | 48.7 | Very low | 63 Ų | 63 | 148.4 Ų | 148.4 | 65% | 0.649 | 83% | 0.833 | S | S | * | * | trans | -150.6 | 67.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | M6 | G4-M6 PolarHBondContact O-N 3.46Š| ||
| 5 | Q | 50.1 | Low | 49 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -50.7 | 125.1 | 171.8 | -170.6 | 91 | -118.5 | 0 | 0 | 111.1 | ||||
| 6 | M | 61.6 | Low | 48.9 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | trans | -106.9 | 136.5 | 172 | -56.6 | -148.6 | 150.1 | 0 | 0 | 109.6 | G4 | G4-M6 PolarHBondContact O-N 3.46Š| ||
| 7 | P | 46.6 | Very low | 48.8 | Very low | 124 Ų | 124 | 160.9 Ų | 160.9 | 81% | 0.805 | 85% | 0.847 | S | S | * | * | trans | -80 | 137 | -177.7 | 31.9 | -31.8 | 0 | 0 | 0 | 111 | S9 | P7-S9 PolarHBondContact O-N 3.2Š| ||
| 8 | F | 44.4 | Very low | 48.9 | Very low | 190 Ų | 190 | 165.2 Ų | 165.2 | 83% | 0.833 | 85% | 0.85 | S | S | * | * | trans | -66.7 | 124.7 | 178.2 | -57.2 | -82.8 | 0 | 0 | 0 | 111.4 | ||||
| 9 | S | 43.7 | Very low | 48.9 | Very low | 107 Ų | 107 | 162.5 Ų | 162.5 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | -80 | 114.3 | 165.9 | -81.2 | 0 | 0 | 0 | 0 | 110 | P7 H11 | P7-S9 PolarHBondContact O-N 3.2Å; S9-H11 PolarHBondContact O-N 3.33Å | ||
| 10 | C | 40.7 | Very low | 49.2 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -69.3 | 107.8 | 168 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | Y12 | C10-Y12 PolarHBondContact O-N 3.08Š| ||
| 11 | H | 43.3 | Very low | 49.8 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | -71.8 | 112.7 | 171.5 | -89 | -83.6 | 0 | 0 | 0 | 110.5 | S9 | S9-H11 PolarHBondContact O-N 3.33Š| ||
| 12 | Y | 43 | Very low | 50.1 | Low | 210 Ų | 210 | 159.5 Ų | 159.5 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 132.7 | 159.3 | -110 | -95 | 0 | 0 | 0 | 108.9 | C10 S14 | C10-Y12 PolarHBondContact O-N 3.08Å; Y12-S14 PolarHBondContact O-N 3.46Å | ||
| 13 | P | 51.2 | Low | 49.5 | Very low | 121 Ų | 121 | 161.6 Ų | 161.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 97.3 | 173.6 | 27.7 | -30.4 | 0 | 0 | 0 | 109.5 | R15 | P13-R15 PolarHBondContact O-N 2.82Š| ||
| 14 | S | 49.1 | Very low | 50 | Low | 115 Ų | 115 | 158.9 Ų | 158.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 112.6 | 168.1 | -53.3 | 0 | 0 | 0 | 0 | 109.6 | Y12 | Y12-S14 PolarHBondContact O-N 3.46Š| ||
| 15 | R | 52.9 | Low | 49.3 | Very low | 239 Ų | 239 | 161.1 Ų | 161.1 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 0.6 | 115.3 | 158 | -59.1 | -117.2 | -174 | -173.7 | 2.2 | 115.4 | P13 R17 | P13-R15 PolarHBondContact O-N 2.82Å; R15-R17 PolarHBondContact O-N 2.77Å; R15-R17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | L | 48.1 | Very low | 49.1 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -34 | 109.4 | 165.1 | -78.1 | 155.2 | 0 | 0 | 0 | 112.4 | R18 | L16-R18 PolarHBondContact O-N 2.84Š| ||
| 17 | R | 47.4 | Very low | 48.4 | Very low | 241 Ų | 241 | 158.9 Ų | 158.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 117.5 | 164 | -112.6 | -158.1 | -176.5 | -97.2 | 4.5 | 108.1 | R15 | R15-R17 PolarHBondContact O-N 2.77Å; R15-R17 VanDerWaalsContact O-N 3.1Å |
| 18 | R | 49.9 | Very low | 48.7 | Very low | 238 Ų | 238 | 158.1 Ų | 158.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126 | 171 | -166.6 | 174.4 | -73.9 | -176 | -4.1 | 108.7 | L16 | L16-R18 PolarHBondContact O-N 2.84Š|
| 19 | D | 49.5 | Very low | 48.9 | Very low | 114 Ų | 114 | 161 Ų | 161 | 61% | 0.61 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76 | 131.7 | -179.6 | -167.3 | -55.1 | 0 | 0 | 0 | 110.7 | F21 | D19-F21 VanDerWaalsContact C-N 3.33Å; D19-F21 PolarHBondContact O-N 3.2Å; D19-F21 PolarHBondContact OD1-N 3.33Å |
| 20 | P | 53.3 | Low | 49.4 | Very low | 107 Ų | 107 | 163 Ų | 163 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 0 | -177.3 | -9.2 | 26.2 | 0 | 0 | 0 | 116.1 | ||
| 21 | F | 63.5 | Low | 50 | Low | 172 Ų | 172 | 164.4 Ų | 164.4 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 15.6 | -164.9 | -65.8 | -76.8 | 0 | 0 | 0 | 116.3 | D19 D23 | D19-F21 VanDerWaalsContact C-N 3.33Å; D19-F21 PolarHBondContact O-N 3.2Å; D19-F21 PolarHBondContact OD1-N 3.33Å; F21-D23 PolarHBondContact O-N 2.78Å |
| 22 | R | 51 | Low | 50.3 | Low | 230 Ų | 230 | 163.1 Ų | 163.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -101.3 | 78.1 | -179.4 | -151.7 | 175.6 | -174.4 | -179.4 | 1.3 | 112.4 | ||||
| 23 | D | 43.3 | Very low | 50.9 | Low | 148 Ų | 148 | 160 Ų | 160 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -65.4 | 129.6 | 162.2 | -73.2 | -68.8 | 0 | 0 | 0 | 110.7 | F21 | F21-D23 PolarHBondContact O-N 2.78Š| ||
| 24 | S | 57.7 | Low | 50.9 | Low | 108 Ų | 108 | 157.7 Ų | 157.7 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -147.4 | 104.4 | 156.2 | -72.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 25 | P | 45.7 | Very low | 50.9 | Low | 109 Ų | 109 | 161 Ų | 161 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | trans | -81.8 | 161.4 | 174.4 | 33.9 | -29.4 | 0 | 0 | 0 | 109.3 | ||||
| 26 | L | 46.1 | Very low | 50.7 | Low | 170 Ų | 170 | 153 Ų | 153 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 90.1 | 83.6 | 168.1 | -43.7 | 178.6 | 0 | 0 | 0 | 116.8 | ||||
| 27 | S | 45.6 | Very low | 51.2 | Low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -171.2 | 97.8 | 130 | -138.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | S | 52.7 | Low | 51.8 | Low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | 105.3 | 95.9 | 93.9 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | L30 | S28-L30 PolarHBondContact O-N 2.96Š| |||
| 29 | R | 50 | Low | 52.3 | Low | 249 Ų | 249 | 141.9 Ų | 141.9 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 116.1 | 168.2 | -64.8 | 175.8 | 171.6 | 119.5 | -2.3 | 109.1 | ||||
| 30 | L | 53.7 | Low | 52.7 | Low | 150 Ų | 150 | 145.7 Ų | 145.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -168 | 125.7 | 156.1 | -126.5 | 155.6 | 0 | 0 | 0 | 108.3 | S28 | S28-L30 PolarHBondContact O-N 2.96Š| ||
| 31 | L | 54 | Low | 52.9 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 77.3 | 94.2 | -177.9 | -38.8 | 175.7 | 0 | 0 | 0 | 112.3 | ||||
| 32 | D | 49.1 | Very low | 52.6 | Low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | cis | 40.1 | 81.4 | 31.6 | -151.2 | -176.8 | 0 | 0 | 0 | 114.2 | ||||
| 33 | D | 56 | Low | 52.5 | Low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -169.2 | 100.1 | 141.8 | -117.8 | -58.7 | 0 | 0 | 0 | 110.1 | F35 | D33-F35 PolarHBondContact O-N 2.86Š| ||
| 34 | G | 51.6 | Low | 53 | Low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | 64.1 | 10.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 35 | F | 48.4 | Very low | 52.9 | Low | 183 Ų | 183 | 142.3 Ų | 142.3 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | -110.6 | 57.3 | 178.2 | -85.5 | -89.8 | 0 | 0 | 0 | 114 | D33 M37 | D33-F35 PolarHBondContact O-N 2.86Å; F35-M37 PolarHBondContact O-N 2.95Å | ||
| 36 | G | 49.3 | Very low | 52.9 | Low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -78 | 88.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D38 | G36-D38 PolarHBondContact O-N 2.83Š| ||
| 37 | M | 57.6 | Low | 53.3 | Low | 163 Ų | 163 | 137.4 Ų | 137.4 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | trans | -67.9 | 115 | 160.8 | -78.7 | -73.2 | 175.5 | 0 | 0 | 106.8 | F35 | F35-M37 PolarHBondContact O-N 2.95Š| ||
| 38 | D | 60.9 | Low | 53.8 | Low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -51 | 137.8 | 174.5 | -80.2 | -69.4 | 0 | 0 | 0 | 110.2 | G36 F40 | G36-D38 PolarHBondContact O-N 2.83Å; D38-F40 PolarHBondContact O-N 3.23Å | ||
| 39 | P | 60.2 | Low | 53.9 | Low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -59.4 | 124.7 | 170.3 | 25.9 | -30.4 | 0 | 0 | 0 | 107.6 | ||||
| 40 | F | 56.5 | Low | 54 | Low | 194 Ų | 194 | 136.1 Ų | 136.1 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -44 | 127.6 | 178.5 | -92.1 | -95.1 | 0 | 0 | 0 | 110.1 | D38 D42 | D38-F40 PolarHBondContact O-N 3.23Å; F40-D42 PolarHBondContact O-N 3.31Å | ||
| 41 | P | 57.3 | Low | 54.6 | Low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -64.4 | 124.3 | 175.4 | 24.6 | -29.9 | 0 | 0 | 0 | 108.8 | D43 | P41-D43 PolarHBondContact O-N 3.33Š| ||
| 42 | D | 57.6 | Low | 54.8 | Low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -68.5 | 26.8 | 179.8 | -112.1 | -60.9 | 0 | 0 | 0 | 113.7 | F40 | F40-D42 PolarHBondContact O-N 3.31Š|
| 43 | D | 49.2 | Very low | 55.3 | Low | 114 Ų | 114 | 133.4 Ų | 133.4 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | trans | -112.8 | 81.8 | -177.4 | -137.5 | -36.5 | 0 | 0 | 0 | 110.6 | P41 T45 | P41-D43 PolarHBondContact O-N 3.33Å; D43-T45 PolarHBondContact O-N 2.81Å; D43-T45 PolarHBondContact OD1-OG1 3.08Å | ||
| 44 | L | 53.9 | Low | 55.1 | Low | 178 Ų | 178 | 131.6 Ų | 131.6 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -74.7 | 38.2 | 175.6 | -70.6 | 172.8 | 0 | 0 | 0 | 112.7 | ||||
| 45 | T | 55.1 | Low | 54.9 | Low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -133.2 | 37.1 | 176.3 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | D43 | D43-T45 PolarHBondContact O-N 2.81Å; D43-T45 PolarHBondContact OD1-OG1 3.08Å | ||
| 46 | A | 47 | Very low | 55.1 | Low | 76 Ų | 76 | 138.3 Ų | 138.3 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | trans | -119.1 | 122.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | W48 | A46-W48 PolarHBondContact O-N 3Å; A46-W48 VanDerWaalsContact O-N 3.1Å | ||
| 47 | S | 53 | Low | 55.2 | Low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -50.6 | 117.1 | 163 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | P49 | S47-P49 VanDerWaalsContact O-N 3.12Š| ||
| 48 | W | 56.1 | Low | 54.7 | Low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -15.9 | 105.8 | 169.3 | 32.5 | -75.5 | 0 | 0 | 0 | 112.9 | A46 | A46-W48 PolarHBondContact O-N 3Å; A46-W48 VanDerWaalsContact O-N 3.1Å | ||
| 49 | P | 54.5 | Low | 54.1 | Low | 73 Ų | 73 | 135 Ų | 135 | 47% | 0.474 | 74% | 0.743 | S | S | . | * | trans | -75.3 | 154.2 | -174.9 | -12.1 | 25.8 | 0 | 0 | 0 | 112.9 | S47 W51 | S47-P49 VanDerWaalsContact O-N 3.12Å; P49-W51 PolarHBondContact O-N 2.85Å | ||
| 50 | D | 52.9 | Low | 53.8 | Low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -44.3 | -0 | -177.1 | -67.2 | -78.3 | 0 | 0 | 0 | 119.4 | A52 | D50-A52 VanDerWaalsContact C-N 3.28Å; D50-A52 PolarHBondContact O-N 2.96Å |
| 51 | W | 67 | Low | 53.5 | Low | 212 Ų | 212 | 137.8 Ų | 137.8 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74 | -17.3 | 179.5 | 69.5 | -90.8 | 0 | 0 | 0 | 113.6 | P49 | P49-W51 PolarHBondContact O-N 2.85Š|
| 52 | A | 58 | Low | 53 | Low | 70 Ų | 70 | 136.4 Ų | 136.4 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -89 | -1.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D50 | D50-A52 VanDerWaalsContact C-N 3.28Å; D50-A52 PolarHBondContact O-N 2.96Å |
| 53 | L | 59.5 | Low | 53 | Low | 119 Ų | 119 | 134.1 Ų | 134.1 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -77.5 | 125.1 | 175.7 | -68.5 | 177.8 | 0 | 0 | 0 | 110.7 | R55 | L53-R55 PolarHBondContact O-N 3.34Å; L53-R55 VanDerWaalsContact O-N 3.15Å |
| 54 | P | 50.7 | Low | 53.4 | Low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -63.4 | 119.9 | 173.7 | 25.1 | -31 | 0 | 0 | 0 | 109.3 | L56 | P54-L56 VanDerWaalsContact C-N 3.3Å; P54-L56 PolarHBondContact O-N 3.28Å | ||
| 55 | R | 49.3 | Very low | 53.4 | Low | 243 Ų | 243 | 136.9 Ų | 136.9 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | -65.5 | 84.5 | 175.7 | -59.4 | -113.9 | 176.5 | 175.6 | -1.8 | 109.4 | L53 | L53-R55 PolarHBondContact O-N 3.34Å; L53-R55 VanDerWaalsContact O-N 3.15Å | ||
| 56 | L | 51.6 | Low | 53 | Low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -109.1 | 142.6 | 171.2 | -117.1 | 76.6 | 0 | 0 | 0 | 110.6 | P54 | P54-L56 VanDerWaalsContact C-N 3.3Å; P54-L56 PolarHBondContact O-N 3.28Å | ||
| 57 | S | 52 | Low | 53 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 71 | 84.4 | -179.5 | 68.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 58 | S | 46.3 | Very low | 53.1 | Low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -40.1 | 152.5 | 134.9 | 52.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 59 | A | 49.1 | Very low | 53 | Low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | trans | 93 | 127.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 60 | W | 53.5 | Low | 52.9 | Low | 247 Ų | 247 | 139.1 Ų | 139.1 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | cis | -166.1 | 169.9 | 3 | -95.6 | -10.1 | 0 | 0 | 0 | 107.8 | ||||
| 61 | P | 50.2 | Low | 52.6 | Low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -92.9 | 146.7 | -162.7 | 35.7 | -31.2 | 0 | 0 | 0 | 113.7 | ||||
| 62 | G | 47.2 | Very low | 51.8 | Low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -147.9 | 96 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 63 | T | 56.4 | Low | 51.6 | Low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -57.3 | 148.3 | 177 | -42.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 64 | L | 57.8 | Low | 51.2 | Low | 134 Ų | 134 | 141.3 Ų | 141.3 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | 160 | 119.8 | 113.8 | -77.4 | 169.9 | 0 | 0 | 0 | 115 | |||||
| 65 | R | 53.5 | Low | 51.2 | Low | 216 Ų | 216 | 140.1 Ų | 140.1 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | 63.8 | 111.2 | 132.1 | -67 | 176.4 | -177.2 | -102.3 | -1.2 | 118.5 | ||||
| 66 | S | 47.2 | Very low | 51.3 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | 64.3 | 117.4 | 83.2 | -83.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 67 | G | 46.7 | Very low | 51.3 | Low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 145.8 | 110.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 68 | M | 56.5 | Low | 51.1 | Low | 196 Ų | 196 | 136.5 Ų | 136.5 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | 87.9 | 122.6 | 134.7 | -51.8 | -168.7 | -174.6 | 0 | 0 | 121.2 | ||||
| 69 | V | 53.2 | Low | 51.3 | Low | 138 Ų | 138 | 140.9 Ų | 140.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -75.4 | -173.1 | 168.8 | -85.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 70 | P | 51.9 | Low | 51 | Low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | -133.2 | -164.6 | -63.5 | 40.8 | -22.8 | 0 | 0 | 0 | 111.2 | |||||
| 71 | R | 46.5 | Very low | 51.2 | Low | 248 Ų | 248 | 135.6 Ų | 135.6 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | 113.3 | 124.1 | 147.2 | -163.6 | 176.8 | 176.5 | 130.3 | -1.7 | 117.8 | ||||
| 72 | G | 51.9 | Low | 51.1 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 130.6 | 116.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 73 | P | 52.3 | Low | 51.4 | Low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -102.2 | 143.1 | -172.9 | 36.7 | -28.7 | 0 | 0 | 0 | 113.2 | ||||
| 74 | T | 51 | Low | 51.2 | Low | 147 Ų | 147 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -168.1 | 143.6 | 154.2 | 5.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 75 | A | 51.8 | Low | 50.9 | Low | 84 Ų | 84 | 134.4 Ų | 134.4 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | 77.3 | 97.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 76 | T | 51.6 | Low | 51.1 | Low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | 47.2 | 138.4 | 108 | -47.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 77 | A | 51.8 | Low | 51.8 | Low | 79 Ų | 79 | 133.7 Ų | 133.7 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | 92.5 | 96.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 78 | R | 46.8 | Very low | 52.4 | Low | 218 Ų | 218 | 135.5 Ų | 135.5 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | 87.7 | 114 | 77.9 | -83.2 | 175.5 | -169.7 | -177.1 | 4.2 | 111.1 | |||||
| 79 | F | 51 | Low | 52.4 | Low | 205 Ų | 205 | 131.1 Ų | 131.1 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 115.7 | 160.3 | -59.5 | -75.4 | 0 | 0 | 0 | 118.8 | ||||
| 80 | G | 43 | Very low | 52.3 | Low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 121.6 | 80.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 81 | V | 56.5 | Low | 52.5 | Low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -149.3 | 143.6 | 159.2 | -165.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 82 | P | 48.4 | Very low | 53.4 | Low | 93 Ų | 93 | 125.7 Ų | 125.7 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | cis | -124.7 | 154.9 | -36.7 | 34.7 | -19.4 | 0 | 0 | 0 | 110.8 | E84 | P82-E84 VanDerWaalsContact C-N 3.34Å; P82-E84 PolarHBondContact O-N 2.84Å | ||
| 83 | A | 54 | Low | 54.5 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | trans | -71 | 96.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | G85 | A83-G85 VanDerWaalsContact C-N 3.32Å; A83-G85 PolarHBondContact O-N 3.42Å | ||
| 84 | E | 52.5 | Low | 56 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -57.6 | 95.7 | 164.6 | -91.7 | 173.9 | 90.5 | 0 | 0 | 108.4 | P82 R86 | P82-E84 VanDerWaalsContact C-N 3.34Å; P82-E84 PolarHBondContact O-N 2.84Å; E84-R86 PolarHBondContact O-N 2.9Å | ||
| 85 | G | 50.1 | Low | 57.9 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -67.5 | 73.4 | 161 | 0 | 0 | 0 | 0 | 0 | 109.1 | A83 T87 | A83-G85 VanDerWaalsContact C-N 3.32Å; A83-G85 PolarHBondContact O-N 3.42Å; G85-T87 PolarHBondContact O-N 3.2Å; G85-T87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | R | 58.4 | Low | 59.9 | Low | 211 Ų | 211 | 119.8 Ų | 119.8 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | -79.4 | 89.5 | 173.3 | -164.9 | 171.4 | 179.4 | -175.9 | -1.2 | 107.3 | E84 | E84-R86 PolarHBondContact O-N 2.9Š| ||
| 87 | T | 61 | Low | 62 | Low | 118 Ų | 118 | 118.2 Ų | 118.2 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 130.1 | 161.8 | 42.8 | 0 | 0 | 0 | 0 | 107.8 | G85 | G85-T87 PolarHBondContact O-N 3.2Å; G85-T87 VanDerWaalsContact O-N 3.1Å |
| 88 | P | 60.4 | Low | 64.1 | Low | 107 Ų | 107 | 116 Ų | 116 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.9 | 171.6 | 24.1 | -30.3 | 0 | 0 | 0 | 108 | P90 | P88-P90 WeakPolarHBondContact O-CD 3.4Š|
| 89 | P | 56 | Low | 66.5 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 125.3 | 177.5 | 23.6 | -31.2 | 0 | 0 | 0 | 109 | F91 | P89-F91 VanDerWaalsContact C-N 3.29Å; P89-F91 PolarHBondContact O-N 3.29Å; P89-F91 VanDerWaalsContact O-N 3.12Å |
| 90 | P | 51.3 | Low | 68.7 | Low | 104 Ų | 104 | 99.3 Ų | 99.3 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | trans | -90.2 | 68.6 | -178.6 | 36.8 | -31.6 | 0 | 0 | 0 | 108.4 | P88 | P88-P90 WeakPolarHBondContact O-CD 3.4Š| ||
| 91 | F | 55.8 | Low | 71.3 | Confident | 169 Ų | 169 | 100.3 Ų | 100.3 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | trans | -136 | 114.6 | 170.5 | -62 | -71.1 | 0 | 0 | 0 | 109 | P89 G93 | P89-F91 VanDerWaalsContact C-N 3.29Å; P89-F91 PolarHBondContact O-N 3.29Å; P89-F91 VanDerWaalsContact O-N 3.12Å; F91-G93 PolarHBondContact O-N 3.23Å | ||
| 92 | P | 65.9 | Low | 73.3 | Confident | 116 Ų | 116 | 93.9 Ų | 93.9 | 75% | 0.753 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -56 | 128.2 | 161.3 | 26.1 | -30.3 | 0 | 0 | 0 | 106.2 | ||
| 93 | G | 75.6 | Confident | 75.6 | Confident | 49 Ų | 49 | 95.3 Ų | 95.3 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 150.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F91 | F91-G93 PolarHBondContact O-N 3.23Š|
| 94 | E | 83.6 | Confident | 77.5 | Confident | 154 Ų | 154 | 92.4 Ų | 92.4 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 134.4 | 173.6 | -172.9 | 176.2 | 173.1 | 0 | 0 | 109.2 | W96 Q170 | E94-W96 PolarHBondContact O-N 2.85Å; E94-Q170 PolarHBondContact O-NE2 2.86Å |
| 95 | P | 89.5 | Confident | 79.6 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 144.4 | 178.8 | 25 | -34.7 | 0 | 0 | 0 | 110.2 | K97 A168 | P95-K97 PolarHBondContact O-N 2.81Å; P95-A168 CarbonylContact C-O 3.57Å; P95-A168 WeakPolarHBondContact CA-O 3.14Å; P95-A168 WeakPolarHBondContact CB-O 3.42Å |
| 96 | W | 94.1 | Very high | 81.8 | Confident | 29 Ų | 29 | 88 Ų | 88 | 11% | 0.11 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.2 | 170.8 | 172.6 | 79.6 | 0 | 0 | 0 | 108.5 | E94 V98 V119 I143 L145 P146 V149 V154 I166 E167 A168 Q170 | E94-W96 PolarHBondContact O-N 2.85Å; W96-V98 HydrophobicContact CH2-CG2 4.14Å; W96-V98 HydrophobicContact CZ2-CB 4.33Å; W96-V98 HydrophobicContact CZ2-CG2 3.45Å; W96-V98 VanDerWaalsContact CZ2-CG2 3.45Å; W96-V119 HydrophobicContact CH2-CG2 4.12Å; W96-I143 HydrophobicContact CH2-CG2 4.41Å; W96-I143 HydrophobicContact CZ2-CG2 3.89Å; W96-L145 HydrophobicContact CD2-CD2 4.46Å; W96-L145 HydrophobicContact CE3-CD2 4.1Å; W96-L145 HydrophobicContact CH2-CD2 3.44Å; W96-L145 VanDerWaalsContact CH2-CD2 3.44Å; W96-L145 HydrophobicContact CZ2-CD2 3.84Å; W96-L145 HydrophobicContact CZ3-CD2 3.57Å; W96-P146 VanDerWaalsContact CD1-CG 3.48Å; W96-P146 HydrophobicContact CG-CG 4.18Å; W96-V149 HydrophobicContact CB-CG2 3.6Å; W96-V149 HydrophobicContact CD2-CG2 4.34Å; W96-V149 HydrophobicContact CE3-CG1 4.46Å; W96-V149 HydrophobicContact CG-CG2 3.88Å; W96-V154 HydrophobicContact CZ3-CG1 4.48Å; W96-I166 HydrophobicContact CH2-CG2 4.01Å; W96-I166 HydrophobicContact CZ3-CG2 3.76Å; W96-E167 CarbonylContact O-C 3.55Å; W96-E167 VanDerWaalsContact O-CA 3.24Å; W96-E167 WeakPolarHBondContact O-CA 3.46Å; W96-A168 HydrophobicContact CE3-CB 3.87Å; W96-A168 PolarHBondContact N-O 2.72Å; W96-A168 PolarHBondContact O-N 3.43Å; W96-Q170 HydrophobicContact CB-CG 4.07Å |
| 97 | K | 95.9 | Very high | 83.6 | Confident | 105 Ų | 105 | 82.1 Ų | 82.1 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.9 | -174.8 | -179.4 | 169 | -179 | 149.6 | 0 | 111.7 | P95 I165 I166 E167 | P95-K97 PolarHBondContact O-N 2.81Å; K97-I165 HydrophobicContact CD-CG2 4.48Å; K97-I165 HydrophobicContact CG-CG2 4.4Å; K97-I166 CarbonylContact C-O 3.56Å; K97-I166 WeakPolarHBondContact CA-O 3.41Å; K97-E167 HydrophobicContact CB-CG 3.99Å; K97-E167 HydrophobicContact CD-CG 3.99Å; K97-E167 VanDerWaalsContact CD-OE1 3.22Å; K97-E167 WeakPolarHBondContact CD-OE1 3.06Å; K97-E167 WeakPolarHBondContact CE-OE1 3.43Å; K97-E167 HydrophobicContact CG-CG 3.7Å; K97-E167 IonicContact NZ-OE1 2.67Å; K97-E167 PolarHBondContact NZ-OE1 3.12Å |
| 98 | V | 96.8 | Very high | 85.3 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.7 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | W96 V100 I143 I166 | W96-V98 HydrophobicContact CH2-CG2 4.14Å; W96-V98 HydrophobicContact CZ2-CB 4.33Å; W96-V98 HydrophobicContact CZ2-CG2 3.45Å; W96-V98 VanDerWaalsContact CZ2-CG2 3.45Å; V98-V100 HydrophobicContact CG1-CG2 4.41Å; V98-I143 HydrophobicContact CG1-CD1 3.79Å; V98-I143 HydrophobicContact CG2-CG2 4.32Å; V98-I166 PolarHBondContact N-O 2.92Å; V98-I166 PolarHBondContact O-N 2.96Å |
| 99 | C | 97.1 | Very high | 87.1 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 46% | 0.459 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.3 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 111 | L164 | C99-L164 CarbonylContact C-O 3.58Å; C99-L164 WeakPolarHBondContact CA-O 3.36Å |
| 100 | V | 97.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.3 | 178 | -173 | 0 | 0 | 0 | 0 | 109 | V98 V102 F139 K141 I143 L164 I166 | V98-V100 HydrophobicContact CG1-CG2 4.41Å; V100-V102 HydrophobicContact CG1-CG1 4.02Å; V100-V102 PolarHBondContact O-N 3.29Å; V100-F139 HydrophobicContact CG1-CE1 3.98Å; V100-F139 HydrophobicContact CG1-CZ 3.67Å; V100-K141 HydrophobicContact CG1-CD 3.81Å; V100-K141 HydrophobicContact CG2-CD 4.03Å; V100-I143 HydrophobicContact CG2-CD1 4Å; V100-L164 HydrophobicContact CB-CB 4.34Å; V100-L164 PolarHBondContact N-O 3.1Å; V100-L164 PolarHBondContact O-N 3.22Å; V100-I166 HydrophobicContact CG2-CD1 4.4Å |
| 101 | N | 97.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.1 | 174.1 | -173.7 | 3.8 | 0 | 0 | 0 | 110.3 | H103 G162 L163 | N101-H103 WeakPolarHBondContact OD1-CB 3.28Å; N101-H103 PolarHBondContact OD1-CD2 2.76Å; N101-H103 VanDerWaalsContact OD1-CD2 3.29Å; N101-H103 PolarHBondContact OD1-N 2.89Å; N101-G162 PolarHBondContact OD1-O 3.24Å; N101-L163 HydrophobicContact CB-CD2 4.07Å |
| 102 | V | 97.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | trans | -131.3 | 20.3 | -177.2 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | V100 S104 F105 L110 F139 L158 G162 L164 | V100-V102 HydrophobicContact CG1-CG1 4.02Å; V100-V102 PolarHBondContact O-N 3.29Å; V102-S104 PolarHBondContact O-N 3.14Å; V102-F105 PolarHBondContact O-N 2.82Å; V102-L110 HydrophobicContact CB-CD1 4.1Å; V102-L110 HydrophobicContact CB-CD2 4.11Å; V102-L110 HydrophobicContact CG1-CD2 4.15Å; V102-L110 HydrophobicContact CG2-CD1 3.72Å; V102-F139 HydrophobicContact CG1-CE1 4.33Å; V102-L158 HydrophobicContact CG2-CD1 3.59Å; V102-G162 CarbonylContact C-O 3.54Å; V102-G162 VanDerWaalsContact CG2-O 3.28Å; V102-G162 WeakPolarHBondContact CG2-O 3.48Å; V102-G162 PolarHBondContact N-O 3.18Å; V102-L164 HydrophobicContact CG1-CB 4.23Å; V102-L164 HydrophobicContact CG2-CB 3.87Å | ||
| 103 | H | 96.3 | Very high | 94.8 | Very high | 122 Ų | 122 | 69.5 Ų | 69.5 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -17.2 | -173.8 | 81.6 | 87.3 | 0 | 0 | 0 | 116.3 | N101 F105 G162 | N101-H103 WeakPolarHBondContact OD1-CB 3.28Å; N101-H103 PolarHBondContact OD1-CD2 2.76Å; N101-H103 VanDerWaalsContact OD1-CD2 3.29Å; N101-H103 PolarHBondContact OD1-N 2.89Å; H103-F105 VanDerWaalsContact C-N 3.34Å; H103-G162 PolarHBondContact N-O 2.86Å |
| 104 | S | 94.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.4 | 179 | -67 | 0 | 0 | 0 | 0 | 113.9 | V102 | V102-S104 PolarHBondContact O-N 3.14Š|
| 105 | F | 97.2 | Very high | 96.4 | Very high | 32 Ų | 32 | 69 Ų | 69 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -124.6 | 148.2 | -176.1 | -66 | -92.7 | 0 | 0 | 0 | 110.3 | V102 H103 E109 L110 G123 H125 K137 F139 | V102-F105 PolarHBondContact O-N 2.82Å; H103-F105 VanDerWaalsContact C-N 3.34Å; F105-E109 WeakPolarHBondContact CA-OE2 3.48Å; F105-E109 HydrophobicContact CD1-CB 4.43Å; F105-L110 HydrophobicContact CB-CD2 3.75Å; F105-L110 HydrophobicContact CB-CG 4.13Å; F105-L110 HydrophobicContact CG-CD2 4.1Å; F105-G123 VanDerWaalsContact CE1-C 3.45Å; F105-H125 HydrophobicContact CD1-CB 3.77Å; F105-H125 HydrophobicContact CE1-CB 3.82Å; F105-K137 HydrophobicContact CE1-CB 4.33Å; F105-K137 WeakPolarHBondContact CE1-O 3.41Å; F105-K137 HydrophobicContact CZ-CB 4.11Å; F105-F139 HydrophobicContact CE1-CB 4.36Å; F105-F139 HydrophobicContact CE2-CB 3.74Å; F105-F139 HydrophobicContact CE2-CG 4.48Å; F105-F139 HydrophobicContact CZ-CB 3.53Å |
| 106 | K | 95.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | trans | -80.2 | 156.1 | 170.8 | -57.1 | -178.8 | -173.4 | 167.5 | 0 | 110.7 | E108 E109 | K106-E108 VanDerWaalsContact C-N 3.25Å; K106-E108 VanDerWaalsContact CB-CD 3.48Å; K106-E108 HydrophobicContact CB-CG 4.32Å; K106-E108 WeakPolarHBondContact CB-OE1 3.44Å; K106-E108 WeakPolarHBondContact CB-OE2 3.46Å; K106-E108 WeakPolarHBondContact CD-OE1 3.34Å; K106-E108 PolarHBondContact O-N 3.37Å; K106-E109 HydrophobicContact CB-CG 4.05Å; K106-E109 PolarHBondContact N-OE2 3.18Å; K106-E109 WeakPolarHBondContact O-CB 3.44Å; K106-E109 PolarHBondContact O-N 2.97Å | ||
| 107 | P | 96.7 | Very high | 96.7 | Very high | 89 Ų | 89 | 72.3 Ų | 72.3 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -53.9 | -40.6 | 178.5 | -23.7 | 32.2 | 0 | 0 | 0 | 113.5 | E109 L110 L158 | P107-E109 PolarHBondContact O-N 2.8Å; P107-L110 PolarHBondContact O-N 3.1Å; P107-L158 HydrophobicContact CB-CD2 3.86Å; P107-L158 HydrophobicContact CG-CD2 3.73Å |
| 108 | E | 97.1 | Very high | 96.8 | Very high | 141 Ų | 141 | 71.8 Ų | 71.8 | 66% | 0.659 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.9 | 179.4 | 65.2 | -87.5 | -161.3 | 0 | 0 | 114.4 | K106 | K106-E108 VanDerWaalsContact C-N 3.25Å; K106-E108 VanDerWaalsContact CB-CD 3.48Å; K106-E108 HydrophobicContact CB-CG 4.32Å; K106-E108 WeakPolarHBondContact CB-OE1 3.44Å; K106-E108 WeakPolarHBondContact CB-OE2 3.46Å; K106-E108 WeakPolarHBondContact CD-OE1 3.34Å; K106-E108 PolarHBondContact O-N 3.37Å |
| 109 | E | 97.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -89.3 | -8.1 | 178.7 | -66.2 | 172.4 | 167.3 | 0 | 0 | 112.3 | F105 K106 P107 G123 K124 H125 | F105-E109 WeakPolarHBondContact CA-OE2 3.48Å; F105-E109 HydrophobicContact CD1-CB 4.43Å; K106-E109 HydrophobicContact CB-CG 4.05Å; K106-E109 PolarHBondContact N-OE2 3.18Å; K106-E109 WeakPolarHBondContact O-CB 3.44Å; K106-E109 PolarHBondContact O-N 2.97Å; P107-E109 PolarHBondContact O-N 2.8Å; E109-G123 VanDerWaalsContact O-CA 3.29Å; E109-G123 WeakPolarHBondContact O-CA 3.09Å; E109-K124 WeakPolarHBondContact CB-O 3.31Å; E109-K124 WeakPolarHBondContact CG-O 3.4Å; E109-K124 PolarHBondContact O-N 2.87Å; E109-K124 VanDerWaalsContact O-N 3.08Å; E109-H125 IonicContact OE1-CE1 3.68Å; E109-H125 IonicContact OE1-CG 3.73Å; E109-H125 IonicContact OE1-ND1 2.78Å; E109-H125 PolarHBondContact OE1-ND1 3.34Å; E109-H125 WeakPolarHBondContact OE2-CB 3.42Å; E109-H125 IonicContact OE2-CG 3.56Å; E109-H125 IonicContact OE2-ND1 2.96Å; E109-H125 PolarHBondContact OE2-ND1 2.83Å |
| 110 | L | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 143.6 | -175.9 | -62.9 | 172.4 | 0 | 0 | 0 | 111.6 | V102 F105 P107 S122 L158 | V102-L110 HydrophobicContact CB-CD1 4.1Å; V102-L110 HydrophobicContact CB-CD2 4.11Å; V102-L110 HydrophobicContact CG1-CD2 4.15Å; V102-L110 HydrophobicContact CG2-CD1 3.72Å; F105-L110 HydrophobicContact CB-CD2 3.75Å; F105-L110 HydrophobicContact CB-CG 4.13Å; F105-L110 HydrophobicContact CG-CD2 4.1Å; P107-L110 PolarHBondContact O-N 3.1Å; L110-S122 CarbonylContact C-O 3.5Å; L110-S122 WeakPolarHBondContact CA-O 3.29Å; L110-L158 HydrophobicContact CD1-CD1 4.5Å; L110-L158 HydrophobicContact CD1-CD2 4.2Å |
| 111 | M | 98 | Very high | 96.9 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 41% | 0.414 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126.3 | 176.9 | 175.4 | 176.7 | 63.3 | 0 | 0 | 109.8 | K113 S122 | M111-K113 HydrophobicContact CE-CD 4.26Å; M111-K113 HydrophobicContact CG-CD 4.43Å; M111-K113 HydrophobicContact CG-CG 4.21Å; M111-K113 HydrophobicContact SD-CD 4.14Å; M111-K113 WeakPolarHBondContact SD-CE 3.46Å; M111-K113 PolarHBondContact SD-NZ 3.01Å; M111-S122 WeakPolarHBondContact CE-OG 3.28Å; M111-S122 PolarHBondContact N-O 3.34Å; M111-S122 PolarHBondContact O-N 2.79Å; M111-S122 PolarHBondContact O-OG 3.37Å |
| 112 | V | 97.9 | Very high | 97 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.5 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | V119 E120 V121 A156 L164 | V112-V119 HydrophobicContact CG1-CG1 3.65Å; V112-E120 CarbonylContact C-O 3.49Å; V112-E120 WeakPolarHBondContact CA-O 3.23Å; V112-V121 HydrophobicContact CG2-CG2 4.46Å; V112-A156 HydrophobicContact CG1-CB 4.47Å; V112-A156 HydrophobicContact CG2-CB 4.16Å; V112-L164 HydrophobicContact CG2-CD1 4.42Å; V112-L164 HydrophobicContact CG2-CD2 3.83Å |
| 113 | K | 97.5 | Very high | 97 | Very high | 111 Ų | 111 | 65.3 Ų | 65.3 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 133.6 | 179.2 | -74.5 | 176.5 | 169.2 | 165.2 | 0 | 110.2 | M111 V119 E120 | M111-K113 HydrophobicContact CE-CD 4.26Å; M111-K113 HydrophobicContact CG-CD 4.43Å; M111-K113 HydrophobicContact CG-CG 4.21Å; M111-K113 HydrophobicContact SD-CD 4.14Å; M111-K113 WeakPolarHBondContact SD-CE 3.46Å; M111-K113 PolarHBondContact SD-NZ 3.01Å; K113-V119 CarbonylContact O-C 3.52Å; K113-V119 WeakPolarHBondContact O-CA 3.39Å; K113-E120 PolarHBondContact N-O 3.34Å; K113-E120 PolarHBondContact O-N 3.44Å |
| 114 | T | 97.2 | Very high | 97.1 | Very high | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.5 | 170.9 | -49.9 | 0 | 0 | 0 | 0 | 109 | Y118 V119 L145 P151 | T114-Y118 CarbonylContact C-O 3.54Å; T114-Y118 VanDerWaalsContact CA-O 3.31Å; T114-Y118 WeakPolarHBondContact CA-O 3.46Å; T114-V119 HydrophobicContact CG2-CG2 4.31Å; T114-L145 HydrophobicContact CG2-CD1 3.62Å; T114-P151 HydrophobicContact CG2-CB 3.41Å; T114-P151 VanDerWaalsContact CG2-CB 3.41Å |
| 115 | K | 95.1 | Very high | 97.2 | Very high | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 142 | -179.3 | -158 | -161.1 | 170.7 | -147.7 | 0 | 111.3 | G117 Y118 | K115-G117 PolarHBondContact O-N 3.49Å; K115-G117 VanDerWaalsContact O-N 3.14Å; K115-Y118 PolarHBondContact N-O 2.83Å; K115-Y118 PolarHBondContact O-N 2.77Å |
| 116 | D | 95 | Very high | 97.2 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 32.6 | 170.9 | -51.4 | -37.6 | 0 | 0 | 0 | 113.1 | Y118 | D116-Y118 WeakPolarHBondContact O-CD2 3.29Å; D116-Y118 WeakPolarHBondContact O-CE2 3.1Å |
| 117 | G | 94.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 13.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K115 L145 | K115-G117 PolarHBondContact O-N 3.49Å; K115-G117 VanDerWaalsContact O-N 3.14Å; G117-L145 WeakPolarHBondContact O-CB 3.18Å; G117-L145 PolarHBondContact O-N 2.81Å |
| 118 | Y | 97.4 | Very high | 97.1 | Very high | 94 Ų | 94 | 73.4 Ų | 73.4 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.4 | 176.5 | -64.2 | -91.7 | 0 | 0 | 0 | 111.8 | T114 K115 D116 I143 Q144 | T114-Y118 CarbonylContact C-O 3.54Å; T114-Y118 VanDerWaalsContact CA-O 3.31Å; T114-Y118 WeakPolarHBondContact CA-O 3.46Å; K115-Y118 PolarHBondContact N-O 2.83Å; K115-Y118 PolarHBondContact O-N 2.77Å; D116-Y118 WeakPolarHBondContact O-CD2 3.29Å; D116-Y118 WeakPolarHBondContact O-CE2 3.1Å; Y118-I143 CarbonylContact C-O 3.54Å; Y118-I143 VanDerWaalsContact CA-O 3.23Å; Y118-I143 WeakPolarHBondContact CA-O 3.48Å; Y118-Q144 HydrophobicContact CD1-CB 3.95Å; Y118-Q144 HydrophobicContact CD1-CG 4.38Å; Y118-Q144 HydrophobicContact CE1-CB 3.69Å; Y118-Q144 HydrophobicContact CE1-CG 3.93Å |
| 119 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.1 | 159.5 | -176 | 0 | 0 | 0 | 0 | 108.6 | W96 V112 K113 T114 K142 I143 L145 V154 I166 | W96-V119 HydrophobicContact CH2-CG2 4.12Å; V112-V119 HydrophobicContact CG1-CG1 3.65Å; K113-V119 CarbonylContact O-C 3.52Å; K113-V119 WeakPolarHBondContact O-CA 3.39Å; T114-V119 HydrophobicContact CG2-CG2 4.31Å; V119-K142 WeakPolarHBondContact O-CA 3.37Å; V119-I143 PolarHBondContact N-O 2.91Å; V119-I143 PolarHBondContact O-N 2.81Å; V119-L145 HydrophobicContact CG2-CD1 4.05Å; V119-L145 HydrophobicContact CG2-CD2 3.59Å; V119-L145 HydrophobicContact CG2-CG 3.85Å; V119-V154 HydrophobicContact CG2-CG1 3.99Å; V119-V154 HydrophobicContact CG2-CG2 4.43Å; V119-I166 HydrophobicContact CG1-CD1 3.96Å; V119-I166 HydrophobicContact CG1-CG2 4.18Å |
| 120 | E | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.6 | 174.9 | -174.2 | 178.5 | 144.6 | 0 | 0 | 109.7 | V112 K113 T140 K141 K142 | V112-E120 CarbonylContact C-O 3.49Å; V112-E120 WeakPolarHBondContact CA-O 3.23Å; K113-E120 PolarHBondContact N-O 3.34Å; K113-E120 PolarHBondContact O-N 3.44Å; E120-T140 HydrophobicContact CG-CG2 4.09Å; E120-K141 WeakPolarHBondContact CA-O 3.49Å; E120-K142 HydrophobicContact CB-CG 4.18Å; E120-K142 HydrophobicContact CG-CG 3.95Å; E120-K142 WeakPolarHBondContact OE2-CE 2.8Å; E120-K142 IonicContact OE2-NZ 3.42Å; E120-K142 PolarHBondContact OE2-NZ 3.11Å |
| 121 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.4 | 170.8 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | V112 F139 T140 K141 L164 I166 | V112-V121 HydrophobicContact CG2-CG2 4.46Å; V121-F139 HydrophobicContact CB-CE1 4.22Å; V121-F139 HydrophobicContact CG1-CD1 4.39Å; V121-F139 HydrophobicContact CG1-CE1 3.87Å; V121-T140 CarbonylContact O-C 3.57Å; V121-T140 VanDerWaalsContact O-CA 3.28Å; V121-T140 WeakPolarHBondContact O-CA 3.23Å; V121-K141 PolarHBondContact N-O 2.71Å; V121-K141 PolarHBondContact O-N 2.94Å; V121-L164 HydrophobicContact CB-CD2 4.27Å; V121-L164 HydrophobicContact CG1-CD2 3.41Å; V121-L164 VanDerWaalsContact CG1-CD2 3.41Å; V121-L164 HydrophobicContact CG2-CD2 3.8Å; V121-I166 HydrophobicContact CG2-CD1 3.49Å; V121-I166 VanDerWaalsContact CG2-CD1 3.49Å |
| 122 | S | 98.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 86.2 Ų | 86.2 | 8% | 0.084 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.1 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | L110 M111 F139 | L110-S122 CarbonylContact C-O 3.5Å; L110-S122 WeakPolarHBondContact CA-O 3.29Å; M111-S122 WeakPolarHBondContact CE-OG 3.28Å; M111-S122 PolarHBondContact N-O 3.34Å; M111-S122 PolarHBondContact O-N 2.79Å; M111-S122 PolarHBondContact O-OG 3.37Å; S122-F139 CarbonylContact C-O 3.53Å; S122-F139 VanDerWaalsContact CA-O 3.23Å; S122-F139 WeakPolarHBondContact CA-O 3.28Å |
| 123 | G | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 85.1 Ų | 85.1 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F105 E109 N138 F139 | F105-G123 VanDerWaalsContact CE1-C 3.45Å; E109-G123 VanDerWaalsContact O-CA 3.29Å; E109-G123 WeakPolarHBondContact O-CA 3.09Å; G123-N138 CarbonylContact O-C 3.58Å; G123-N138 WeakPolarHBondContact O-CA 3.5Å; G123-F139 PolarHBondContact N-O 2.78Å; G123-F139 PolarHBondContact O-N 2.82Å |
| 124 | K | 98 | Very high | 95.9 | Very high | 158 Ų | 158 | 84.4 Ų | 84.4 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.2 | 175.1 | -68.1 | -175.1 | -179.3 | -178 | 0 | 110.3 | E109 | E109-K124 WeakPolarHBondContact CB-O 3.31Å; E109-K124 WeakPolarHBondContact CG-O 3.4Å; E109-K124 PolarHBondContact O-N 2.87Å; E109-K124 VanDerWaalsContact O-N 3.08Å |
| 125 | H | 97.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 84.1 Ų | 84.1 | 11% | 0.106 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.5 | -178.3 | 176.3 | 77.7 | 0 | 0 | 0 | 110 | F105 E109 E127 S136 K137 | F105-H125 HydrophobicContact CD1-CB 3.77Å; F105-H125 HydrophobicContact CE1-CB 3.82Å; E109-H125 IonicContact OE1-CE1 3.68Å; E109-H125 IonicContact OE1-CG 3.73Å; E109-H125 IonicContact OE1-ND1 2.78Å; E109-H125 PolarHBondContact OE1-ND1 3.34Å; E109-H125 WeakPolarHBondContact OE2-CB 3.42Å; E109-H125 IonicContact OE2-CG 3.56Å; E109-H125 IonicContact OE2-ND1 2.96Å; E109-H125 PolarHBondContact OE2-ND1 2.83Å; H125-E127 IonicContact NE2-OE2 3.93Å; H125-S136 CarbonylContact O-C 3.56Å; H125-S136 VanDerWaalsContact O-CA 3.28Å; H125-S136 WeakPolarHBondContact O-CA 3.45Å; H125-K137 HydrophobicContact CB-CB 4.25Å; H125-K137 PolarHBondContact N-O 2.93Å; H125-K137 PolarHBondContact O-N 2.92Å |
| 126 | E | 96.5 | Very high | 95.9 | Very high | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122 | 173.5 | -172 | 177.1 | 105.8 | 0 | 0 | 109.6 | I134 V135 | E126-I134 HydrophobicContact CG-CG2 3.39Å; E126-V135 CarbonylContact C-O 3.54Å; E126-V135 WeakPolarHBondContact CA-O 3.43Å |
| 127 | E | 95.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 79.1 Ų | 79.1 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127 | 178.7 | -175.1 | 179 | -178.3 | 0 | 0 | 110.1 | H125 I134 V135 | H125-E127 IonicContact NE2-OE2 3.93Å; E127-I134 CarbonylContact O-C 3.59Å; E127-I134 WeakPolarHBondContact O-CA 3.47Å; E127-V135 HydrophobicContact CB-CB 4.46Å; E127-V135 PolarHBondContact N-O 3.41Å; E127-V135 PolarHBondContact O-N 3.43Å |
| 128 | K | 95.2 | Very high | 96.1 | Very high | 163 Ų | 163 | 83 Ų | 83 | 71% | 0.709 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.6 | 172.7 | -65.8 | -178.8 | 178.8 | 178.4 | 0 | 109.2 | ||
| 129 | Q | 94.8 | Very high | 96 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | trans | -80 | 155.4 | 175.4 | -57.4 | -174.6 | 42.8 | 0 | 0 | 110.7 | E131 G132 G133 V135 | Q129-E131 VanDerWaalsContact C-N 3.28Å; Q129-E131 PolarHBondContact O-N 3.28Å; Q129-G132 PolarHBondContact O-N 3.41Å; Q129-G132 VanDerWaalsContact O-N 3.08Å; Q129-G133 WeakPolarHBondContact CB-O 3.28Å; Q129-G133 PolarHBondContact N-O 2.68Å; Q129-V135 HydrophobicContact CG-CG2 3.86Å | ||
| 130 | Q | 93 | Very high | 96 | Very high | 209 Ų | 209 | 85.6 Ų | 85.6 | 98% | 0.977 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -33.7 | -178.9 | -64.4 | -177.9 | 10.6 | 0 | 0 | 112.9 | G132 | Q130-G132 PolarHBondContact O-N 2.98Š|
| 131 | E | 94.6 | Very high | 95.9 | Very high | 189 Ų | 189 | 86.7 Ų | 86.7 | 88% | 0.883 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 6.8 | 177.9 | -159.5 | 175.2 | 171.7 | 0 | 0 | 113 | Q129 G133 | Q129-E131 VanDerWaalsContact C-N 3.28Å; Q129-E131 PolarHBondContact O-N 3.28Å; E131-G133 VanDerWaalsContact C-N 3.35Å |
| 132 | G | 90.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 93 Ų | 93 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 84.6 | 5.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q129 Q130 | Q129-G132 PolarHBondContact O-N 3.41Å; Q129-G132 VanDerWaalsContact O-N 3.08Å; Q130-G132 PolarHBondContact O-N 2.98Å |
| 133 | G | 93.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 93.4 Ų | 93.4 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | trans | -73.1 | 162.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q129 E131 | Q129-G133 WeakPolarHBondContact CB-O 3.28Å; Q129-G133 PolarHBondContact N-O 2.68Å; E131-G133 VanDerWaalsContact C-N 3.35Å | ||
| 134 | I | 95.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | 173 | -60.8 | 174.5 | 0 | 0 | 0 | 108.3 | E126 E127 | E126-I134 HydrophobicContact CG-CG2 3.39Å; E127-I134 CarbonylContact O-C 3.59Å; E127-I134 WeakPolarHBondContact O-CA 3.47Å |
| 135 | V | 94.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 93 Ų | 93 | 28% | 0.279 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.6 | 168.1 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | E126 E127 Q129 K137 | E126-V135 CarbonylContact C-O 3.54Å; E126-V135 WeakPolarHBondContact CA-O 3.43Å; E127-V135 HydrophobicContact CB-CB 4.46Å; E127-V135 PolarHBondContact N-O 3.41Å; E127-V135 PolarHBondContact O-N 3.43Å; Q129-V135 HydrophobicContact CG-CG2 3.86Å; V135-K137 HydrophobicContact CG1-CG 4.45Å |
| 136 | S | 96.2 | Very high | 95.6 | Very high | 74 Ų | 74 | 93.9 Ų | 93.9 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132 | 172.8 | -50.3 | 0 | 0 | 0 | 0 | 110.1 | H125 | H125-S136 CarbonylContact O-C 3.56Å; H125-S136 VanDerWaalsContact O-CA 3.28Å; H125-S136 WeakPolarHBondContact O-CA 3.45Å |
| 137 | K | 96.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 93 Ų | 93 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.2 | 172.9 | -60.8 | 175.7 | -177.2 | 166.6 | 0 | 109.2 | F105 H125 V135 | F105-K137 HydrophobicContact CE1-CB 4.33Å; F105-K137 WeakPolarHBondContact CE1-O 3.41Å; F105-K137 HydrophobicContact CZ-CB 4.11Å; H125-K137 HydrophobicContact CB-CB 4.25Å; H125-K137 PolarHBondContact N-O 2.93Å; H125-K137 PolarHBondContact O-N 2.92Å; V135-K137 HydrophobicContact CG1-CG 4.45Å |
| 138 | N | 97.2 | Very high | 95 | Very high | 120 Ų | 120 | 92.9 Ų | 92.9 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.4 | 175.8 | -65.5 | 5.9 | 0 | 0 | 0 | 109.4 | G123 | G123-N138 CarbonylContact O-C 3.58Å; G123-N138 WeakPolarHBondContact O-CA 3.5Å |
| 139 | F | 96.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 85.5 Ų | 85.5 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.2 | 176.5 | 173.4 | -106.4 | 0 | 0 | 0 | 109.7 | V100 V102 F105 V121 S122 G123 K141 | V100-F139 HydrophobicContact CG1-CE1 3.98Å; V100-F139 HydrophobicContact CG1-CZ 3.67Å; V102-F139 HydrophobicContact CG1-CE1 4.33Å; F105-F139 HydrophobicContact CE1-CB 4.36Å; F105-F139 HydrophobicContact CE2-CB 3.74Å; F105-F139 HydrophobicContact CE2-CG 4.48Å; F105-F139 HydrophobicContact CZ-CB 3.53Å; V121-F139 HydrophobicContact CB-CE1 4.22Å; V121-F139 HydrophobicContact CG1-CD1 4.39Å; V121-F139 HydrophobicContact CG1-CE1 3.87Å; S122-F139 CarbonylContact C-O 3.53Å; S122-F139 VanDerWaalsContact CA-O 3.23Å; S122-F139 WeakPolarHBondContact CA-O 3.28Å; G123-F139 PolarHBondContact N-O 2.78Å; G123-F139 PolarHBondContact O-N 2.82Å; F139-K141 HydrophobicContact CE1-CB 3.82Å; F139-K141 HydrophobicContact CE2-CB 4.05Å; F139-K141 HydrophobicContact CZ-CB 3.36Å; F139-K141 HydrophobicContact CZ-CD 4.01Å; F139-K141 HydrophobicContact CZ-CG 4.3Å |
| 140 | T | 97.4 | Very high | 94.8 | Very high | 92 Ų | 92 | 84.1 Ų | 84.1 | 56% | 0.564 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 124 | 169.5 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | E120 V121 | E120-T140 HydrophobicContact CG-CG2 4.09Å; V121-T140 CarbonylContact O-C 3.57Å; V121-T140 VanDerWaalsContact O-CA 3.28Å; V121-T140 WeakPolarHBondContact O-CA 3.23Å |
| 141 | K | 97.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 35% | 0.352 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.7 | 175.8 | -177.3 | 175.4 | -176.9 | -179.3 | 0 | 109 | V100 E120 V121 F139 I143 | V100-K141 HydrophobicContact CG1-CD 3.81Å; V100-K141 HydrophobicContact CG2-CD 4.03Å; E120-K141 WeakPolarHBondContact CA-O 3.49Å; V121-K141 PolarHBondContact N-O 2.71Å; V121-K141 PolarHBondContact O-N 2.94Å; F139-K141 HydrophobicContact CE1-CB 3.82Å; F139-K141 HydrophobicContact CE2-CB 4.05Å; F139-K141 HydrophobicContact CZ-CB 3.36Å; F139-K141 HydrophobicContact CZ-CD 4.01Å; F139-K141 HydrophobicContact CZ-CG 4.3Å; K141-I143 HydrophobicContact CG-CG1 4.28Å |
| 142 | K | 97.6 | Very high | 94.8 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.8 | 173 | -73.3 | -169.4 | 158.5 | -168.8 | 0 | 109.8 | V119 E120 | V119-K142 WeakPolarHBondContact O-CA 3.37Å; E120-K142 HydrophobicContact CB-CG 4.18Å; E120-K142 HydrophobicContact CG-CG 3.95Å; E120-K142 WeakPolarHBondContact OE2-CE 2.8Å; E120-K142 IonicContact OE2-NZ 3.42Å; E120-K142 PolarHBondContact OE2-NZ 3.11Å |
| 143 | I | 97.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.9 | 179.5 | -62 | 155.7 | 0 | 0 | 0 | 106.7 | W96 V98 V100 Y118 V119 K141 I166 | W96-I143 HydrophobicContact CH2-CG2 4.41Å; W96-I143 HydrophobicContact CZ2-CG2 3.89Å; V98-I143 HydrophobicContact CG1-CD1 3.79Å; V98-I143 HydrophobicContact CG2-CG2 4.32Å; V100-I143 HydrophobicContact CG2-CD1 4Å; Y118-I143 CarbonylContact C-O 3.54Å; Y118-I143 VanDerWaalsContact CA-O 3.23Å; Y118-I143 WeakPolarHBondContact CA-O 3.48Å; V119-I143 PolarHBondContact N-O 2.91Å; V119-I143 PolarHBondContact O-N 2.81Å; K141-I143 HydrophobicContact CG-CG1 4.28Å; I143-I166 HydrophobicContact CD1-CD1 4.17Å |
| 144 | Q | 97.1 | Very high | 95 | Very high | 134 Ų | 134 | 73.1 Ų | 73.1 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.4 | 175.3 | -170.6 | 171.4 | -0.5 | 0 | 0 | 109.7 | Y118 | Y118-Q144 HydrophobicContact CD1-CB 3.95Å; Y118-Q144 HydrophobicContact CD1-CG 4.38Å; Y118-Q144 HydrophobicContact CE1-CB 3.69Å; Y118-Q144 HydrophobicContact CE1-CG 3.93Å |
| 145 | L | 95.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 73.5 Ų | 73.5 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 138.8 | 172.4 | -71.7 | 173.2 | 0 | 0 | 0 | 110.1 | W96 T114 G117 V119 V149 P151 V154 | W96-L145 HydrophobicContact CD2-CD2 4.46Å; W96-L145 HydrophobicContact CE3-CD2 4.1Å; W96-L145 HydrophobicContact CH2-CD2 3.44Å; W96-L145 VanDerWaalsContact CH2-CD2 3.44Å; W96-L145 HydrophobicContact CZ2-CD2 3.84Å; W96-L145 HydrophobicContact CZ3-CD2 3.57Å; T114-L145 HydrophobicContact CG2-CD1 3.62Å; G117-L145 WeakPolarHBondContact O-CB 3.18Å; G117-L145 PolarHBondContact O-N 2.81Å; V119-L145 HydrophobicContact CG2-CD1 4.05Å; V119-L145 HydrophobicContact CG2-CD2 3.59Å; V119-L145 HydrophobicContact CG2-CG 3.85Å; L145-V149 HydrophobicContact CD2-CG1 3.94Å; L145-P151 HydrophobicContact CD1-CB 3.99Å; L145-V154 HydrophobicContact CD1-CG2 4.13Å; L145-V154 HydrophobicContact CD2-CG2 3.99Å |
| 146 | P | 94.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 73.6 Ų | 73.6 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 156.2 | 164.7 | -20 | 31.6 | 0 | 0 | 0 | 111.4 | W96 E148 V149 | W96-P146 VanDerWaalsContact CD1-CG 3.48Å; W96-P146 HydrophobicContact CG-CG 4.18Å; P146-E148 VanDerWaalsContact CB-OE2 3.24Å; P146-E148 WeakPolarHBondContact CB-OE2 3.22Å; P146-E148 PolarHBondContact O-N 2.86Å; P146-V149 HydrophobicContact CB-CG2 4.15Å; P146-V149 HydrophobicContact CG-CG2 4.03Å; P146-V149 PolarHBondContact O-N 2.86Å |
| 147 | A | 91 | Very high | 95.3 | Very high | 100 Ų | 100 | 72.7 Ų | 72.7 | 83% | 0.826 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V149 | A147-V149 VanDerWaalsContact C-N 3.31Š|
| 148 | E | 89.4 | Confident | 95.4 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.7 | -178 | -52.7 | 76.2 | -166.7 | 0 | 0 | 112.8 | P146 V171 | P146-E148 VanDerWaalsContact CB-OE2 3.24Å; P146-E148 WeakPolarHBondContact CB-OE2 3.22Å; P146-E148 PolarHBondContact O-N 2.86Å; E148-V171 VanDerWaalsContact O-CB 3.31Å; E148-V171 WeakPolarHBondContact O-CB 3.49Å; E148-V171 WeakPolarHBondContact O-CG2 3.45Å; E148-V171 PolarHBondContact O-N 3.15Å |
| 149 | V | 92.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 121.2 | -179.3 | 174 | 0 | 0 | 0 | 0 | 109.8 | W96 L145 P146 A147 P151 V154 A168 Q170 | W96-V149 HydrophobicContact CB-CG2 3.6Å; W96-V149 HydrophobicContact CD2-CG2 4.34Å; W96-V149 HydrophobicContact CE3-CG1 4.46Å; W96-V149 HydrophobicContact CG-CG2 3.88Å; L145-V149 HydrophobicContact CD2-CG1 3.94Å; P146-V149 HydrophobicContact CB-CG2 4.15Å; P146-V149 HydrophobicContact CG-CG2 4.03Å; P146-V149 PolarHBondContact O-N 2.86Å; A147-V149 VanDerWaalsContact C-N 3.31Å; V149-P151 WeakPolarHBondContact O-CD 3.45Å; V149-V154 HydrophobicContact CG1-CG2 4.1Å; V149-A168 HydrophobicContact CG1-CB 3.42Å; V149-A168 VanDerWaalsContact CG1-CB 3.42Å; V149-Q170 HydrophobicContact CG2-CG 4.45Å |
| 150 | D | 91.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 34% | 0.342 | 40% | 0.403 | S | S | . | . | trans | -73 | 118.4 | 171.4 | 178 | -0.9 | 0 | 0 | 0 | 109.7 | V152 T153 V171 | D150-V152 PolarHBondContact O-N 3.27Å; D150-V152 VanDerWaalsContact O-N 3.11Å; D150-V152 WeakPolarHBondContact OD1-CB 3.29Å; D150-V152 PolarHBondContact OD1-N 3.27Å; D150-T153 HydrophobicContact CB-CG2 3.84Å; D150-T153 PolarHBondContact O-N 2.67Å; D150-T153 PolarHBondContact O-OG1 2.84Å; D150-V171 HydrophobicContact CB-CG2 4.38Å | ||
| 151 | P | 93.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 72.3 Ų | 72.3 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -57.9 | -24.9 | 179.7 | 24.4 | -35.6 | 0 | 0 | 0 | 114.2 | T114 L145 V149 T153 | T114-P151 HydrophobicContact CG2-CB 3.41Å; T114-P151 VanDerWaalsContact CG2-CB 3.41Å; L145-P151 HydrophobicContact CD1-CB 3.99Å; V149-P151 WeakPolarHBondContact O-CD 3.45Å; P151-T153 VanDerWaalsContact C-N 3.28Å |
| 152 | V | 93.9 | Very high | 95.2 | Very high | 128 Ų | 128 | 69 Ų | 69 | 78% | 0.776 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -73.5 | -24.5 | 178.6 | -177 | 0 | 0 | 0 | 0 | 111.5 | D150 | D150-V152 PolarHBondContact O-N 3.27Å; D150-V152 VanDerWaalsContact O-N 3.11Å; D150-V152 WeakPolarHBondContact OD1-CB 3.29Å; D150-V152 PolarHBondContact OD1-N 3.27Å |
| 153 | T | 94 | Very high | 95.2 | Very high | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -88.8 | -5.5 | -178.8 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | D150 P151 F155 P169 | D150-T153 HydrophobicContact CB-CG2 3.84Å; D150-T153 PolarHBondContact O-N 2.67Å; D150-T153 PolarHBondContact O-OG1 2.84Å; P151-T153 VanDerWaalsContact C-N 3.28Å; T153-F155 PolarHBondContact O-N 2.85Å; T153-P169 HydrophobicContact CG2-CG 4.17Å; T153-P169 WeakPolarHBondContact OG1-CD 3.31Å |
| 154 | V | 96.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | trans | -67.4 | 126.9 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | W96 V119 L145 V149 I166 E167 A168 | W96-V154 HydrophobicContact CZ3-CG1 4.48Å; V119-V154 HydrophobicContact CG2-CG1 3.99Å; V119-V154 HydrophobicContact CG2-CG2 4.43Å; L145-V154 HydrophobicContact CD1-CG2 4.13Å; L145-V154 HydrophobicContact CD2-CG2 3.99Å; V149-V154 HydrophobicContact CG1-CG2 4.1Å; V154-I166 HydrophobicContact CG1-CG2 3.67Å; V154-E167 WeakPolarHBondContact CA-O 3.49Å; V154-A168 HydrophobicContact CG2-CB 3.94Å | ||
| 155 | F | 96.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 159.7 | 171.6 | 69.2 | -85.4 | 0 | 0 | 0 | 110.8 | T153 I166 E167 | T153-F155 PolarHBondContact O-N 2.85Å; F155-I166 WeakPolarHBondContact O-CA 3.5Å; F155-E167 HydrophobicContact CD1-CB 4.39Å; F155-E167 VanDerWaalsContact CD1-O 3.29Å; F155-E167 WeakPolarHBondContact CD1-O 3.22Å; F155-E167 HydrophobicContact CE1-CB 3.69Å; F155-E167 HydrophobicContact CE2-CB 3.91Å; F155-E167 HydrophobicContact CZ-CB 3.41Å; F155-E167 VanDerWaalsContact CZ-CB 3.41Å; F155-E167 HydrophobicContact CZ-CG 4.39Å; F155-E167 WeakPolarHBondContact CZ-OE2 3.34Å; F155-E167 PolarHBondContact N-O 2.9Å; F155-E167 PolarHBondContact O-N 3.48Å |
| 156 | A | 97.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V112 L164 I165 I166 | V112-A156 HydrophobicContact CG1-CB 4.47Å; V112-A156 HydrophobicContact CG2-CB 4.16Å; A156-L164 HydrophobicContact CB-CD1 4.23Å; A156-I165 CarbonylContact C-O 3.57Å; A156-I165 VanDerWaalsContact CA-O 3.28Å; A156-I165 WeakPolarHBondContact CA-O 3.45Å; A156-I166 HydrophobicContact CB-CG1 4.31Å |
| 157 | S | 97.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.6 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | I165 | S157-I165 PolarHBondContact N-O 3.37Å; S157-I165 PolarHBondContact O-N 3.21Å |
| 158 | L | 98.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.8 | -178.9 | 179.9 | 62.9 | 0 | 0 | 0 | 109.6 | V102 P107 L110 L164 | V102-L158 HydrophobicContact CG2-CD1 3.59Å; P107-L158 HydrophobicContact CB-CD2 3.86Å; P107-L158 HydrophobicContact CG-CD2 3.73Å; L110-L158 HydrophobicContact CD1-CD1 4.5Å; L110-L158 HydrophobicContact CD1-CD2 4.2Å; L158-L164 HydrophobicContact CD1-CB 4.32Å |
| 159 | S | 96.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | trans | -79.2 | 154.5 | 175.3 | 95 | 0 | 0 | 0 | 0 | 111.6 | E161 G162 L163 | S159-E161 VanDerWaalsContact CB-OE2 3.22Å; S159-E161 WeakPolarHBondContact CB-OE2 3.14Å; S159-E161 PolarHBondContact O-N 2.82Å; S159-E161 PolarHBondContact OG-N 3.36Å; S159-E161 PolarHBondContact OG-OE2 2.87Å; S159-G162 PolarHBondContact O-N 2.71Å; S159-L163 PolarHBondContact N-O 2.88Å; S159-L163 WeakPolarHBondContact OG-CB 3.24Å; S159-L163 PolarHBondContact OG-N 3.17Å | ||
| 160 | P | 96 | Very high | 95.4 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 83% | 0.831 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.4 | 175.4 | -24.6 | 34.9 | 0 | 0 | 0 | 114.3 | G162 | P160-G162 PolarHBondContact O-N 3.05Š|
| 161 | E | 95.7 | Very high | 94.6 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0 | 178.3 | -54.3 | 71.3 | -152.3 | 0 | 0 | 112.7 | S159 | S159-E161 VanDerWaalsContact CB-OE2 3.22Å; S159-E161 WeakPolarHBondContact CB-OE2 3.14Å; S159-E161 PolarHBondContact O-N 2.82Å; S159-E161 PolarHBondContact OG-N 3.36Å; S159-E161 PolarHBondContact OG-OE2 2.87Å |
| 162 | G | 96.7 | Very high | 93.2 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 82.8 | 28.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N101 V102 H103 S159 P160 | N101-G162 PolarHBondContact OD1-O 3.24Å; V102-G162 CarbonylContact C-O 3.54Å; V102-G162 VanDerWaalsContact CG2-O 3.28Å; V102-G162 WeakPolarHBondContact CG2-O 3.48Å; V102-G162 PolarHBondContact N-O 3.18Å; H103-G162 PolarHBondContact N-O 2.86Å; S159-G162 PolarHBondContact O-N 2.71Å; P160-G162 PolarHBondContact O-N 3.05Å |
| 163 | L | 97.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114 | 172.7 | -59.7 | 177.9 | 0 | 0 | 0 | 110.2 | N101 S159 I165 | N101-L163 HydrophobicContact CB-CD2 4.07Å; S159-L163 PolarHBondContact N-O 2.88Å; S159-L163 WeakPolarHBondContact OG-CB 3.24Å; S159-L163 PolarHBondContact OG-N 3.17Å; L163-I165 PolarHBondContact O-N 3.28Å |
| 164 | L | 98.4 | Very high | 90 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.6 | 169.1 | -177.2 | 73.7 | 0 | 0 | 0 | 108.7 | C99 V100 V102 V112 V121 A156 L158 I166 | C99-L164 CarbonylContact C-O 3.58Å; C99-L164 WeakPolarHBondContact CA-O 3.36Å; V100-L164 HydrophobicContact CB-CB 4.34Å; V100-L164 PolarHBondContact N-O 3.1Å; V100-L164 PolarHBondContact O-N 3.22Å; V102-L164 HydrophobicContact CG1-CB 4.23Å; V102-L164 HydrophobicContact CG2-CB 3.87Å; V112-L164 HydrophobicContact CG2-CD1 4.42Å; V112-L164 HydrophobicContact CG2-CD2 3.83Å; V121-L164 HydrophobicContact CB-CD2 4.27Å; V121-L164 HydrophobicContact CG1-CD2 3.41Å; V121-L164 VanDerWaalsContact CG1-CD2 3.41Å; V121-L164 HydrophobicContact CG2-CD2 3.8Å; A156-L164 HydrophobicContact CB-CD1 4.23Å; L158-L164 HydrophobicContact CD1-CB 4.32Å; L164-I166 HydrophobicContact CD2-CD1 4.2Å; L164-I166 HydrophobicContact CD2-CG1 4.34Å; L164-I166 HydrophobicContact CG-CG1 4.24Å |
| 165 | I | 98.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.2 | -178.8 | -60.2 | 160.6 | 0 | 0 | 0 | 107.7 | K97 A156 S157 L163 E167 | K97-I165 HydrophobicContact CD-CG2 4.48Å; K97-I165 HydrophobicContact CG-CG2 4.4Å; A156-I165 CarbonylContact C-O 3.57Å; A156-I165 VanDerWaalsContact CA-O 3.28Å; A156-I165 WeakPolarHBondContact CA-O 3.45Å; S157-I165 PolarHBondContact N-O 3.37Å; S157-I165 PolarHBondContact O-N 3.21Å; L163-I165 PolarHBondContact O-N 3.28Å; I165-E167 HydrophobicContact CG2-CG 3.84Å; I165-E167 WeakPolarHBondContact CG2-OE1 3.4Å |
| 166 | I | 97.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.9 | -179.3 | -54.1 | 170.1 | 0 | 0 | 0 | 107 | W96 K97 V98 V100 V119 V121 I143 V154 F155 A156 L164 | W96-I166 HydrophobicContact CH2-CG2 4.01Å; W96-I166 HydrophobicContact CZ3-CG2 3.76Å; K97-I166 CarbonylContact C-O 3.56Å; K97-I166 WeakPolarHBondContact CA-O 3.41Å; V98-I166 PolarHBondContact N-O 2.92Å; V98-I166 PolarHBondContact O-N 2.96Å; V100-I166 HydrophobicContact CG2-CD1 4.4Å; V119-I166 HydrophobicContact CG1-CD1 3.96Å; V119-I166 HydrophobicContact CG1-CG2 4.18Å; V121-I166 HydrophobicContact CG2-CD1 3.49Å; V121-I166 VanDerWaalsContact CG2-CD1 3.49Å; I143-I166 HydrophobicContact CD1-CD1 4.17Å; V154-I166 HydrophobicContact CG1-CG2 3.67Å; F155-I166 WeakPolarHBondContact O-CA 3.5Å; A156-I166 HydrophobicContact CB-CG1 4.31Å; L164-I166 HydrophobicContact CD2-CD1 4.2Å; L164-I166 HydrophobicContact CD2-CG1 4.34Å; L164-I166 HydrophobicContact CG-CG1 4.24Å |
| 167 | E | 96.8 | Very high | 83 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150 | -172.1 | -73.8 | 175.3 | -170.8 | 0 | 0 | 111 | W96 K97 V154 F155 I165 | W96-E167 CarbonylContact O-C 3.55Å; W96-E167 VanDerWaalsContact O-CA 3.24Å; W96-E167 WeakPolarHBondContact O-CA 3.46Å; K97-E167 HydrophobicContact CB-CG 3.99Å; K97-E167 HydrophobicContact CD-CG 3.99Å; K97-E167 VanDerWaalsContact CD-OE1 3.22Å; K97-E167 WeakPolarHBondContact CD-OE1 3.06Å; K97-E167 WeakPolarHBondContact CE-OE1 3.43Å; K97-E167 HydrophobicContact CG-CG 3.7Å; K97-E167 IonicContact NZ-OE1 2.67Å; K97-E167 PolarHBondContact NZ-OE1 3.12Å; V154-E167 WeakPolarHBondContact CA-O 3.49Å; F155-E167 HydrophobicContact CD1-CB 4.39Å; F155-E167 VanDerWaalsContact CD1-O 3.29Å; F155-E167 WeakPolarHBondContact CD1-O 3.22Å; F155-E167 HydrophobicContact CE1-CB 3.69Å; F155-E167 HydrophobicContact CE2-CB 3.91Å; F155-E167 HydrophobicContact CZ-CB 3.41Å; F155-E167 VanDerWaalsContact CZ-CB 3.41Å; F155-E167 HydrophobicContact CZ-CG 4.39Å; F155-E167 WeakPolarHBondContact CZ-OE2 3.34Å; F155-E167 PolarHBondContact N-O 2.9Å; F155-E167 PolarHBondContact O-N 3.48Å; I165-E167 HydrophobicContact CG2-CG 3.84Å; I165-E167 WeakPolarHBondContact CG2-OE1 3.4Å |
| 168 | A | 95 | Very high | 80.2 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.008 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 143.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | P95 W96 V149 V154 | P95-A168 CarbonylContact C-O 3.57Å; P95-A168 WeakPolarHBondContact CA-O 3.14Å; P95-A168 WeakPolarHBondContact CB-O 3.42Å; W96-A168 HydrophobicContact CE3-CB 3.87Å; W96-A168 PolarHBondContact N-O 2.72Å; W96-A168 PolarHBondContact O-N 3.43Å; V149-A168 HydrophobicContact CG1-CB 3.42Å; V149-A168 VanDerWaalsContact CG1-CB 3.42Å; V154-A168 HydrophobicContact CG2-CB 3.94Å |
| 169 | P | 91.5 | Very high | 77.4 | Confident | 67 Ų | 67 | 77.7 Ų | 77.7 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 136.6 | 169.5 | 27.7 | -33.7 | 0 | 0 | 0 | 110.3 | T153 | T153-P169 HydrophobicContact CG2-CG 4.17Å; T153-P169 WeakPolarHBondContact OG1-CD 3.31Å |
| 170 | Q | 83.9 | Confident | 74.7 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 127.5 | 169.4 | -62.6 | -166.5 | 46.5 | 0 | 0 | 109 | E94 W96 V149 P172 | E94-Q170 PolarHBondContact O-NE2 2.86Å; W96-Q170 HydrophobicContact CB-CG 4.07Å; V149-Q170 HydrophobicContact CG2-CG 4.45Å; Q170-P172 WeakPolarHBondContact O-CD 3.46Å |
| 171 | V | 73.3 | Confident | 72.1 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 35% | 0.345 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -68 | 124 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | E148 D150 S175 | E148-V171 VanDerWaalsContact O-CB 3.31Å; E148-V171 WeakPolarHBondContact O-CB 3.49Å; E148-V171 WeakPolarHBondContact O-CG2 3.45Å; E148-V171 PolarHBondContact O-N 3.15Å; D150-V171 HydrophobicContact CB-CG2 4.38Å; V171-S175 WeakPolarHBondContact CG1-OG 3.24Å |
| 172 | P | 66.2 | Low | 69.7 | Low | 49 Ų | 49 | 83.9 Ų | 83.9 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 145.7 | 178.8 | -24.2 | 33.1 | 0 | 0 | 0 | 111.3 | Q170 Y174 S175 | Q170-P172 WeakPolarHBondContact O-CD 3.46Å; P172-Y174 HydrophobicContact CB-CD1 3.8Å; P172-Y174 HydrophobicContact CB-CE1 3.35Å; P172-Y174 HydrophobicContact CB-CE2 4.42Å; P172-Y174 HydrophobicContact CG-CE1 4.28Å; P172-Y174 PolarHBondContact O-N 3.1Å; P172-S175 PolarHBondContact O-N 2.86Å; P172-S175 PolarHBondContact O-OG 2.84Å |
| 173 | P | 62.6 | Low | 66.9 | Low | 128 Ų | 128 | 90.3 Ų | 90.3 | 83% | 0.831 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 1.5 | -171.2 | 24.9 | -35 | 0 | 0 | 0 | 115.4 | ||
| 174 | Y | 57.4 | Low | 63.9 | Low | 192 Ų | 192 | 94.2 Ų | 94.2 | 75% | 0.753 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 5.8 | 176 | 58.6 | -95 | 0 | 0 | 0 | 114 | P172 T176 | P172-Y174 HydrophobicContact CB-CD1 3.8Å; P172-Y174 HydrophobicContact CB-CE1 3.35Å; P172-Y174 HydrophobicContact CB-CE2 4.42Å; P172-Y174 HydrophobicContact CG-CE1 4.28Å; P172-Y174 PolarHBondContact O-N 3.1Å; Y174-T176 VanDerWaalsContact C-N 3.3Å; Y174-T176 PolarHBondContact O-N 2.91Å |
| 175 | S | 51.7 | Low | 61 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 47% | 0.469 | 56% | 0.563 | S | S | . | * | trans | -90.4 | 64.7 | 176.5 | -27.2 | 0 | 0 | 0 | 0 | 109.9 | V171 P172 | V171-S175 WeakPolarHBondContact CG1-OG 3.24Å; P172-S175 PolarHBondContact O-N 2.86Å; P172-S175 PolarHBondContact O-OG 2.84Å | ||
| 176 | T | 47.9 | Very low | 58.5 | Low | 104 Ų | 104 | 109.3 Ų | 109.3 | 64% | 0.638 | 60% | 0.597 | S | S | * | * | trans | -117.5 | 139 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | Y174 | Y174-T176 VanDerWaalsContact C-N 3.3Å; Y174-T176 PolarHBondContact O-N 2.91Å | ||
| 177 | F | 42.7 | Very low | 55.9 | Low | 190 Ų | 190 | 113.5 Ų | 113.5 | 83% | 0.833 | 63% | 0.625 | S | S | * | * | trans | 85.2 | 82.3 | 168.4 | -69.1 | -84.5 | 0 | 0 | 0 | 118.8 | ||||
| 178 | G | 39.3 | Very low | 53.6 | Low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -130.9 | 52.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 179 | E | 39.8 | Very low | 51.2 | Low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -156.3 | 141.9 | 168.1 | -114.8 | 169.4 | 115.3 | 0 | 0 | 113.2 | ||||
| 180 | S | 39.9 | Very low | 49.3 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | 87.9 | 89.7 | 171 | 77.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 181 | S | 41.2 | Very low | 48 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | -169.3 | 99.6 | 126.1 | -81 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 182 | F | 46.5 | Very low | 46.6 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | 30.5 | 111.6 | 143.7 | -69.2 | -88.7 | 0 | 0 | 0 | 119.4 | N184 | F182-N184 PolarHBondContact O-N 2.98Š| ||
| 183 | N | 36.7 | Very low | 46.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -32.4 | 121.5 | 149.6 | -57.8 | -69.3 | 0 | 0 | 0 | 112.3 | ||||
| 184 | N | 35.3 | Very low | 45.5 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 175.3 | 140.8 | 121 | -85.5 | -29.6 | 0 | 0 | 0 | 110.4 | F182 | F182-N184 PolarHBondContact O-N 2.98Š| |||
| 185 | E | 37.6 | Very low | 44.4 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 89.9 | 90.2 | 155 | -136.6 | 166.2 | 99.3 | 0 | 0 | 118.3 | ||||
| 186 | L | 45.7 | Very low | 44.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -142 | 116.3 | 142.3 | -161.2 | 83.7 | 0 | 0 | 0 | 108.7 | ||||
| 187 | P | 42.1 | Very low | 44.6 | Very low | 89 Ų | 89 | 149.2 Ų | 149.2 | 58% | 0.578 | 82% | 0.824 | S | S | * | * | trans | -99 | 159.5 | 173.4 | 37.4 | -30.2 | 0 | 0 | 0 | 111.6 | ||||
| 188 | Q | 48.5 | Very low | 44.7 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 75.6 | 133.5 | 167.3 | -54.7 | 175.2 | -105.2 | 0 | 0 | 114.2 | ||||
| 189 | D | 45.1 | Very low | 45 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | cis | -157.6 | 141.6 | 20.6 | -178 | 40 | 0 | 0 | 0 | 108.6 | ||||
| 190 | S | 53 | Low | 45.3 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | trans | -6.9 | 127.2 | 156.8 | -36.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 191 | Q | 55.6 | Low | 45.6 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -167.3 | 102.5 | 131.8 | -104 | 162.2 | 33.7 | 0 | 0 | 110.4 | ||||
| 192 | E | 44.2 | Very low | 45.9 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -64 | 134.5 | 164.2 | -72.8 | 173.5 | 94.9 | 0 | 0 | 110.2 | ||||
| 193 | V | 54.4 | Low | 45.9 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | trans | -138.2 | 119.5 | 148.5 | -166.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 194 | T | 50.8 | Low | 46.6 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 73% | 0.73 | 84% | 0.835 | S | S | * | * | trans | -71.7 | 156.2 | 177 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 195 | C | 34.5 | Very low | 47.5 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -58.5 | 168.9 | -172.4 | -49.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 196 | T | 58.9 | Low | 48.4 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 100% | 1.301 | 83% | 0.834 | S | S | * | * | trans | -114.3 | 0 | 142.1 | -42.7 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 196 of 196 residues in 191.6 ms
(Link to these results)