| 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 | 38 | Very low | 36.6 | Very low | 246 Ų | 246 | 127.8 Ų | 127.8 | 100% | 1.212 | 83% | 0.834 | S | S | * | * | 0 | 133 | 0 | -88.7 | -173 | 164.6 | 0 | 0 | 108.9 | |||||
| 2 | A | 36.2 | Very low | 36.3 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | 65.1 | 103.8 | 163 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | A | 35.6 | Very low | 36.5 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -75.2 | 157.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4 | L | 37.8 | Very low | 36.4 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | 166.7 | 144.5 | 146 | -90.5 | 144.1 | 0 | 0 | 0 | 108.3 | ||||
| 5 | V | 33.2 | Very low | 36 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | cis | -165.7 | 151.1 | -27.9 | 129.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 6 | T | 39.7 | Very low | 36 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -53.8 | 163.2 | 177.6 | -25 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 7 | V | 34.7 | Very low | 36 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 75% | 0.745 | 83% | 0.828 | S | S | * | * | 179.2 | 114.5 | 113.7 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | A9 | V7-A9 HydrophobicContact CG1-CB 3.86Š| |||
| 8 | C | 37.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -97.1 | 130 | 147.2 | -79.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 9 | A | 35.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | trans | -129.8 | 109.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V7 | V7-A9 HydrophobicContact CG1-CB 3.86Š| ||
| 10 | G | 34.4 | Very low | 36.4 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 138.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 11 | V | 39.3 | Very low | 36.2 | Very low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -98.3 | 93.8 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | G | 32.6 | Very low | 35.9 | Very low | 61 Ų | 61 | 126.2 Ų | 126.2 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 124.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 13 | R | 39.3 | Very low | 35.9 | Very low | 243 Ų | 243 | 128.7 Ų | 128.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 118.2 | 172.4 | -75.9 | -178.5 | 176.4 | 174.1 | -1.2 | 109.4 | ||
| 14 | K | 35.4 | Very low | 36.3 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 134.4 | -176.7 | -58.1 | 169.3 | -178 | 179.4 | 0 | 109.8 | ||
| 15 | S | 30.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.9 | 166.7 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||
| 16 | L | 35.3 | Very low | 36.8 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 118.6 | 173.1 | -72.7 | 153.8 | 0 | 0 | 0 | 109.1 | ||
| 17 | T | 36 | Very low | 36.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 129.5 | 163.1 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 18 | P | 42.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 124.3 | 164.3 | 22.9 | -11.3 | 0 | 0 | 0 | 109.6 | A20 | P18-A20 PolarHBondContact O-N 2.82Š|
| 19 | A | 36.2 | Very low | 37.7 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 20 | A | 37 | Very low | 38.1 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 119 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P18 | P18-A20 PolarHBondContact O-N 2.82Š|
| 21 | V | 33.5 | Very low | 38.8 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -80.4 | 115.1 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | L23 | V21-L23 PolarHBondContact O-N 2.94Š| ||
| 22 | C | 32.2 | Very low | 39.2 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -83.4 | 106.8 | 173.9 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 23 | L | 36.2 | Very low | 39.7 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -90.3 | 124.2 | 160.1 | -81.5 | 161.1 | 0 | 0 | 0 | 108.2 | V21 | V21-L23 PolarHBondContact O-N 2.94Š| ||
| 24 | A | 42.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -87.8 | 125.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | D | 38.7 | Very low | 41.3 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -129.9 | 134.9 | 161.5 | -93.9 | -48.8 | 0 | 0 | 0 | 111.3 | ||||
| 26 | R | 43.1 | Very low | 42.3 | Very low | 252 Ų | 252 | 144.1 Ų | 144.1 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -83.5 | 140.7 | 179.6 | -69.9 | 174.7 | -179.2 | -169.3 | -0.9 | 109.8 | ||||
| 27 | G | 42.5 | Very low | 43.1 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 158.4 | 116.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 28 | A | 47.6 | Very low | 43.9 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 152.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 29 | H | 40.4 | Very low | 44.6 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | -170.1 | 95.1 | 111.2 | -131.7 | -103.5 | 0 | 0 | 0 | 109.1 | V31 | H29-V31 PolarHBondContact O-N 2.88Š| |||
| 30 | T | 45.2 | Very low | 45.5 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 91.3 | 170.3 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | L32 | T30-L32 VanDerWaalsContact C-N 3.25Å; T30-L32 PolarHBondContact O-N 3.09Å | ||
| 31 | V | 49 | Very low | 46.3 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | trans | -72.2 | 90.7 | 164.9 | -171.3 | 0 | 0 | 0 | 0 | 106.9 | H29 W33 | H29-V31 PolarHBondContact O-N 2.88Å; V31-W33 HydrophobicContact CG1-CG 4.45Å; V31-W33 PolarHBondContact O-N 2.8Å | ||
| 32 | L | 46.8 | Very low | 47.5 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 83.4 | 168.8 | -100.8 | 152.6 | 0 | 0 | 0 | 108 | T30 R34 | T30-L32 VanDerWaalsContact C-N 3.25Å; T30-L32 PolarHBondContact O-N 3.09Å; L32-R34 PolarHBondContact O-N 2.81Å | ||
| 33 | W | 44.7 | Very low | 48.5 | Very low | 226 Ų | 226 | 151.1 Ų | 151.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -62.9 | 89.3 | 161.1 | -83 | 92.4 | 0 | 0 | 0 | 107.5 | V31 R35 | V31-W33 HydrophobicContact CG1-CG 4.45Å; V31-W33 PolarHBondContact O-N 2.8Å; W33-R35 PolarHBondContact O-N 3.46Å | ||
| 34 | R | 53.1 | Low | 49.6 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 75.9 | 170.9 | -157.8 | -162.2 | -77.3 | -108.4 | 9.3 | 107.5 | L32 G36 | L32-R34 PolarHBondContact O-N 2.81Å; R34-G36 PolarHBondContact O-N 3.04Å; R34-G36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | R | 55.1 | Low | 50.6 | Low | 219 Ų | 219 | 146.4 Ų | 146.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -76.6 | 93.4 | 172.3 | -153.3 | 175.3 | -163.3 | 177.9 | 4 | 106.9 | W33 C37 | W33-R35 PolarHBondContact O-N 3.46Å; R35-C37 PolarHBondContact O-N 3.07Å | ||
| 36 | G | 51.6 | Low | 52 | Low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -63.6 | 87.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | R34 S38 | R34-G36 PolarHBondContact O-N 3.04Å; R34-G36 VanDerWaalsContact O-N 3.07Å; G36-S38 PolarHBondContact O-N 3.24Å | ||
| 37 | C | 52 | Low | 53.6 | Low | 106 Ų | 106 | 140.2 Ų | 140.2 | 72% | 0.716 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 106.3 | 160.2 | -84.9 | 0 | 0 | 0 | 0 | 106.7 | R35 Q39 | R35-C37 PolarHBondContact O-N 3.07Å; C37-Q39 PolarHBondContact O-N 2.85Å; C37-Q39 VanDerWaalsContact O-N 3.07Å | ||
| 38 | S | 52.8 | Low | 55.7 | Low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -44.2 | 116.3 | 158.1 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | G36 Y40 | G36-S38 PolarHBondContact O-N 3.24Å; S38-Y40 PolarHBondContact O-N 3.07Å | ||
| 39 | Q | 56.5 | Low | 57.7 | Low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -71.6 | 71.8 | 172.6 | -74.2 | -175.2 | 13.2 | 0 | 0 | 108.3 | C37 K41 | C37-Q39 PolarHBondContact O-N 2.85Å; C37-Q39 VanDerWaalsContact O-N 3.07Å; Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.04Å; Q39-K41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | Y | 54 | Low | 60 | Low | 175 Ų | 175 | 142 Ų | 142 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | -67.2 | 102.6 | 150.8 | 176.7 | -102 | 0 | 0 | 0 | 105.7 | S38 Q42 | S38-Y40 PolarHBondContact O-N 3.07Å; Y40-Q42 VanDerWaalsContact C-N 3.31Å; Y40-Q42 HydrophobicContact CD1-CG 4.04Å; Y40-Q42 HydrophobicContact CE1-CG 4.18Å; Y40-Q42 PolarHBondContact O-N 3.24Å | ||
| 41 | K | 54.5 | Low | 62.2 | Low | 172 Ų | 172 | 141.9 Ų | 141.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -58.8 | 99.6 | 169 | -94.3 | 176.5 | 174.8 | 173.4 | 0 | 107 | Q39 V43 | Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.04Å; Q39-K41 VanDerWaalsContact O-N 3.09Å; K41-V43 VanDerWaalsContact C-N 3.3Å; K41-V43 PolarHBondContact O-N 2.83Å | ||
| 42 | Q | 59.3 | Low | 64.3 | Low | 162 Ų | 162 | 143.5 Ų | 143.5 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | -60.7 | 99.7 | 160.6 | -69.3 | -95.2 | -14.1 | 0 | 0 | 105.7 | Y40 A44 | Y40-Q42 VanDerWaalsContact C-N 3.31Å; Y40-Q42 HydrophobicContact CD1-CG 4.04Å; Y40-Q42 HydrophobicContact CE1-CG 4.18Å; Y40-Q42 PolarHBondContact O-N 3.24Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 2.81Å | ||
| 43 | V | 52.6 | Low | 66.5 | Low | 120 Ų | 120 | 142.3 Ų | 142.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 98.4 | 163.1 | -175.3 | 0 | 0 | 0 | 0 | 103.9 | K41 S45 | K41-V43 VanDerWaalsContact C-N 3.3Å; K41-V43 PolarHBondContact O-N 2.83Å; V43-S45 PolarHBondContact O-N 3.16Å | ||
| 44 | A | 59.8 | Low | 68.8 | Low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -66.5 | 86.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q42 N46 | Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 2.81Å; A44-N46 PolarHBondContact O-N 3.46Å | ||
| 45 | S | 62.8 | Low | 70.8 | Confident | 68 Ų | 68 | 133.5 Ų | 133.5 | 48% | 0.476 | 72% | 0.721 | S | S | . | * | trans | -57.4 | 132.7 | 162.1 | 42 | 0 | 0 | 0 | 0 | 107 | V43 E47 | V43-S45 PolarHBondContact O-N 3.16Å; S45-E47 PolarHBondContact O-N 3.34Å | ||
| 46 | N | 68.3 | Low | 72.7 | Confident | 125 Ų | 125 | 127.5 Ų | 127.5 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -64.6 | 7.6 | -172 | -66 | -74.6 | 0 | 0 | 0 | 114.7 | A44 L49 | A44-N46 PolarHBondContact O-N 3.46Å; N46-L49 HydrophobicContact CB-CD1 4.43Å |
| 47 | E | 77.9 | Confident | 74.9 | Confident | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -89 | -20.1 | -168 | -46.6 | -50 | 132.2 | 0 | 0 | 113.8 | S45 | S45-E47 PolarHBondContact O-N 3.34Š|
| 48 | D | 85.9 | Confident | 77 | Confident | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -98.4 | 15 | -179.5 | -65.8 | -48.5 | 0 | 0 | 0 | 113.2 | ||
| 49 | L | 88.9 | Confident | 79 | Confident | 113 Ų | 113 | 138 Ų | 138 | 59% | 0.592 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -71.8 | 141.5 | 177.8 | -69 | 173.4 | 0 | 0 | 0 | 110.6 | N46 I51 | N46-L49 HydrophobicContact CB-CD1 4.43Å; L49-I51 PolarHBondContact O-N 2.91Å |
| 50 | P | 90.3 | Very high | 80.8 | Confident | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125 | 177.4 | 26.3 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 51 | I | 90.9 | Very high | 82.7 | Confident | 126 Ų | 126 | 134 Ų | 134 | 65% | 0.646 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 132 | 175.4 | -55.8 | 170 | 0 | 0 | 0 | 108.4 | L49 M53 | L49-I51 PolarHBondContact O-N 2.91Å; I51-M53 HydrophobicContact CB-CE 4.27Å; I51-M53 PolarHBondContact O-N 3.42Å |
| 52 | P | 92.9 | Very high | 84.6 | Confident | 132 Ų | 132 | 135.3 Ų | 135.3 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | trans | -67.8 | 105.5 | 170.9 | 27.9 | -32.4 | 0 | 0 | 0 | 109.6 | ||||
| 53 | M | 92.1 | Very high | 86.3 | Confident | 126 Ų | 126 | 134.8 Ų | 134.8 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | trans | -131.1 | 156.4 | 176.4 | 61 | 174.9 | 59.7 | 0 | 0 | 110.6 | I51 | I51-M53 HydrophobicContact CB-CE 4.27Å; I51-M53 PolarHBondContact O-N 3.42Å | ||
| 54 | E | 93.4 | Very high | 88.3 | Confident | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -61.6 | 145.5 | 167.6 | -64.2 | 78.6 | -169.6 | 0 | 0 | 110.4 | P56 | E54-P56 WeakPolarHBondContact O-CD 3.12Š| ||
| 55 | N | 95.2 | Very high | 89.9 | Confident | 102 Ų | 102 | 131.2 Ų | 131.2 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | trans | -60.4 | 111.2 | -178.5 | 180 | -4.4 | 0 | 0 | 0 | 111.2 | Y57 K58 | N55-Y57 VanDerWaalsContact C-N 3.28Å; N55-Y57 PolarHBondContact O-N 2.85Å; N55-Y57 WeakPolarHBondContact OD1-CA 3.28Å; N55-Y57 PolarHBondContact OD1-N 2.94Å; N55-K58 HydrophobicContact CB-CB 4.21Å; N55-K58 VanDerWaalsContact O-CB 3.28Å; N55-K58 WeakPolarHBondContact O-CB 3.47Å; N55-K58 PolarHBondContact O-N 2.65Å; N55-K58 PolarHBondContact OD1-N 3.32Å | ||
| 56 | P | 96.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 128.6 Ų | 128.6 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -20.7 | -177.7 | 30.7 | -33.9 | 0 | 0 | 0 | 112.6 | E54 K58 | E54-P56 WeakPolarHBondContact O-CD 3.12Å; P56-K58 VanDerWaalsContact C-N 3.29Å |
| 57 | Y | 96.2 | Very high | 92.6 | Very high | 203 Ų | 203 | 124.7 Ų | 124.7 | 80% | 0.796 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 13.9 | 178 | -53.1 | -71 | 0 | 0 | 0 | 112.6 | N55 E59 | N55-Y57 VanDerWaalsContact C-N 3.28Å; N55-Y57 PolarHBondContact O-N 2.85Å; N55-Y57 WeakPolarHBondContact OD1-CA 3.28Å; N55-Y57 PolarHBondContact OD1-N 2.94Å; Y57-E59 PolarHBondContact O-N 3.37Å; Y57-E59 VanDerWaalsContact O-N 3.16Å |
| 58 | K | 96.1 | Very high | 93.3 | Very high | 156 Ų | 156 | 123.8 Ų | 123.8 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | trans | -72.6 | 108.7 | 179.3 | -173.7 | 176.9 | -178.6 | 179.6 | 0 | 110.3 | N55 P56 | N55-K58 HydrophobicContact CB-CB 4.21Å; N55-K58 VanDerWaalsContact O-CB 3.28Å; N55-K58 WeakPolarHBondContact O-CB 3.47Å; N55-K58 PolarHBondContact O-N 2.65Å; N55-K58 PolarHBondContact OD1-N 3.32Å; P56-K58 VanDerWaalsContact C-N 3.29Å | ||
| 59 | E | 95.8 | Very high | 93.7 | Very high | 156 Ų | 156 | 123.3 Ų | 123.3 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 146.4 | 172.8 | -68.6 | -175.8 | 179.8 | 0 | 0 | 112 | Y57 | Y57-E59 PolarHBondContact O-N 3.37Å; Y57-E59 VanDerWaalsContact O-N 3.16Å |
| 60 | P | 94.4 | Very high | 94 | Very high | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.3 | 175 | 28.4 | -34.6 | 0 | 0 | 0 | 110.8 | K62 | P60-K62 PolarHBondContact O-N 3.07Š|
| 61 | L | 93.7 | Very high | 94.3 | Very high | 151 Ų | 151 | 120.3 Ų | 120.3 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.7 | 178.7 | -60.6 | 179.5 | 0 | 0 | 0 | 110.9 | K63 | L61-K63 PolarHBondContact O-N 3.16Š|
| 62 | K | 94.3 | Very high | 94.6 | Very high | 201 Ų | 201 | 117.1 Ų | 117.1 | 87% | 0.874 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.7 | 176 | -63.6 | -178 | -178.4 | 179.3 | 0 | 110 | P60 | P60-K62 PolarHBondContact O-N 3.07Š|
| 63 | K | 95.2 | Very high | 94.8 | Very high | 151 Ų | 151 | 113.5 Ų | 113.5 | 66% | 0.657 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 151 | 177.8 | -64.2 | 179.5 | -177.1 | 175.8 | 0 | 110.5 | L61 C67 E68 | L61-K63 PolarHBondContact O-N 3.16Å; K63-C67 HydrophobicContact CB-CB 4.32Å; K63-E68 WeakPolarHBondContact CD-OE1 3.39Å; K63-E68 WeakPolarHBondContact CE-OE1 3.09Å; K63-E68 IonicContact NZ-OE1 3.93Å; K63-E68 PolarHBondContact NZ-OE1 3.12Å |
| 64 | C | 94.3 | Very high | 95 | Very high | 18 Ų | 18 | 113.9 Ų | 113.9 | 12% | 0.122 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -77 | 161.1 | 169.9 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | L66 C67 L98 C99 | C64-L66 PolarHBondContact O-N 3.13Å; C64-L66 VanDerWaalsContact O-N 3.09Å; C64-C67 HydrophobicContact CB-CB 4.38Å; C64-C67 WeakPolarHBondContact CB-SG 3.16Å; C64-C67 PolarHBondContact N-SG 2.77Å; C64-C67 WeakPolarHBondContact O-CB 3.49Å; C64-C67 PolarHBondContact O-N 3.19Å; C64-C67 WeakPolarHBondContact SG-CA 3.45Å; C64-C67 WeakPolarHBondContact SG-CB 3.44Å; C64-C67 PolarHBondContact SG-N 3.1Å; C64-C67 CovalentContact SG-SG 2.07Å; C64-C67 PolarHBondContact SG-SG 3.09Å; C64-L98 HydrophobicContact CB-CD2 4.25Å; C64-C99 HydrophobicContact CB-CB 4.46Å; C64-C99 VanDerWaalsContact SG-SG 3.62Å |
| 65 | I | 93.4 | Very high | 95.2 | Very high | 114 Ų | 114 | 109.3 Ų | 109.3 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.6 | -176.7 | -52.5 | 172.1 | 0 | 0 | 0 | 112.4 | V134 | I65-V134 HydrophobicContact CD1-CG1 3.4Š|
| 66 | L | 95.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 105.9 Ų | 105.9 | 7% | 0.068 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 11.4 | -175.7 | -62.8 | 180 | 0 | 0 | 0 | 114.7 | C64 E68 K69 V71 L78 F82 L98 K102 I106 | C64-L66 PolarHBondContact O-N 3.13Å; C64-L66 VanDerWaalsContact O-N 3.09Å; L66-E68 VanDerWaalsContact C-N 3.27Å; L66-E68 PolarHBondContact O-N 2.8Å; L66-E68 VanDerWaalsContact O-N 3.13Å; L66-K69 HydrophobicContact CD2-CB 4.48Å; L66-K69 PolarHBondContact O-N 3.27Å; L66-K69 VanDerWaalsContact O-N 3.16Å; L66-V71 HydrophobicContact CD1-CG2 4.25Å; L66-L78 HydrophobicContact CD1-CD2 4.46Å; L66-L78 HydrophobicContact CD2-CD1 4.07Å; L66-F82 HydrophobicContact CD1-CE2 3.8Å; L66-F82 HydrophobicContact CD1-CZ 3.6Å; L66-F82 HydrophobicContact CG-CZ 4.38Å; L66-L98 HydrophobicContact CB-CD2 4.2Å; L66-L98 HydrophobicContact CD1-CD1 4.13Å; L66-L98 HydrophobicContact CD1-CD2 4.23Å; L66-L98 HydrophobicContact CG-CD2 4.15Å; L66-K102 HydrophobicContact CB-CD 4.23Å; L66-K102 HydrophobicContact CB-CG 4.41Å; L66-K102 WeakPolarHBondContact O-CD 3.41Å; L66-K102 WeakPolarHBondContact O-CE 3.49Å; L66-I106 HydrophobicContact CD1-CD1 3.8Å; L66-I106 HydrophobicContact CD1-CG1 4.1Å |
| 67 | C | 91.7 | Very high | 95.3 | Very high | 43 Ų | 43 | 106.4 Ų | 106.4 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -29.8 | -165 | -89.6 | 0 | 0 | 0 | 0 | 114.8 | K63 C64 C99 K102 | K63-C67 HydrophobicContact CB-CB 4.32Å; C64-C67 HydrophobicContact CB-CB 4.38Å; C64-C67 WeakPolarHBondContact CB-SG 3.16Å; C64-C67 PolarHBondContact N-SG 2.77Å; C64-C67 WeakPolarHBondContact O-CB 3.49Å; C64-C67 PolarHBondContact O-N 3.19Å; C64-C67 WeakPolarHBondContact SG-CA 3.45Å; C64-C67 WeakPolarHBondContact SG-CB 3.44Å; C64-C67 PolarHBondContact SG-N 3.1Å; C64-C67 CovalentContact SG-SG 2.07Å; C64-C67 PolarHBondContact SG-SG 3.09Å; C67-C99 PolarHBondContact SG-SG 3.16Å; C67-K102 WeakPolarHBondContact O-CE 3.48Å |
| 68 | E | 92.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 99 Ų | 99 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 4.6 | 179.9 | -68 | 167.4 | -164.1 | 0 | 0 | 113 | K63 L66 | K63-E68 WeakPolarHBondContact CD-OE1 3.39Å; K63-E68 WeakPolarHBondContact CE-OE1 3.09Å; K63-E68 IonicContact NZ-OE1 3.93Å; K63-E68 PolarHBondContact NZ-OE1 3.12Å; L66-E68 VanDerWaalsContact C-N 3.27Å; L66-E68 PolarHBondContact O-N 2.8Å; L66-E68 VanDerWaalsContact O-N 3.13Å |
| 69 | K | 94.8 | Very high | 95.4 | Very high | 139 Ų | 139 | 91.5 Ų | 91.5 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -100.5 | 141 | -176.9 | -57.9 | -57.2 | -176.1 | -178.4 | 0 | 110.6 | L66 K102 | L66-K69 HydrophobicContact CD2-CB 4.48Å; L66-K69 PolarHBondContact O-N 3.27Å; L66-K69 VanDerWaalsContact O-N 3.16Å; K69-K102 PolarHBondContact O-NZ 2.89Å |
| 70 | Q | 95.1 | Very high | 95.4 | Very high | 150 Ų | 150 | 84.2 Ų | 84.2 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | trans | -77.9 | 137.3 | 172.8 | -175.3 | 173.4 | -19 | 0 | 0 | 109.8 | D72 | Q70-D72 PolarHBondContact NE2-OD1 2.07Å; Q70-D72 VanDerWaalsContact NE2-OD1 3.1Å | ||
| 71 | V | 96.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 80.7 Ų | 80.7 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | trans | -111.7 | 113.1 | 179.9 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | L66 L78 L79 I106 A109 | L66-V71 HydrophobicContact CD1-CG2 4.25Å; V71-L78 HydrophobicContact CG1-CD2 4.31Å; V71-L79 HydrophobicContact CG1-CD2 4.05Å; V71-I106 HydrophobicContact CB-CD1 4.41Å; V71-I106 HydrophobicContact CG1-CD1 3.49Å; V71-I106 VanDerWaalsContact CG1-CD1 3.49Å; V71-I106 HydrophobicContact CG1-CG1 4.22Å; V71-I106 HydrophobicContact CG2-CD1 3.99Å; V71-I106 HydrophobicContact CG2-CG1 4.42Å; V71-A109 HydrophobicContact CG1-CB 4.05Å | ||
| 72 | D | 96.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 73.7 Ų | 73.7 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | trans | -106.4 | 146 | 176 | -60.3 | -50 | 0 | 0 | 0 | 111 | Q70 K74 N75 | Q70-D72 PolarHBondContact NE2-OD1 2.07Å; Q70-D72 VanDerWaalsContact NE2-OD1 3.1Å; D72-K74 PolarHBondContact O-N 3.34Å; D72-N75 PolarHBondContact O-N 3.31Å | ||
| 73 | Y | 97.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.3 | 178.3 | 68.3 | -86.7 | 0 | 0 | 0 | 113.5 | R112 A113 M116 F118 | Y73-R112 VanDerWaalsContact CD1-CD 3.47Å; Y73-R112 HydrophobicContact CD1-CG 4.47Å; Y73-R112 HydrophobicContact CD2-CG 4.25Å; Y73-R112 HydrophobicContact CG-CG 4.06Å; Y73-A113 WeakPolarHBondContact O-CB 3.41Å; Y73-M116 HydrophobicContact CD2-SD 3.76Å; Y73-M116 HydrophobicContact CE2-CE 4.35Å; Y73-M116 HydrophobicContact CE2-SD 3.35Å; Y73-M116 WeakPolarHBondContact CE2-SD 3.47Å; Y73-F118 HydrophobicContact CD2-CD2 4.27Å; Y73-F118 HydrophobicContact CD2-CE2 4.35Å; Y73-F118 HydrophobicContact CE2-CD2 4.3Å; Y73-F118 AromaticContact CE2-CE2 3.92Å; Y73-F118 HydrophobicContact CE2-CE2 3.92Å |
| 74 | K | 97.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.6 | 179.3 | -58.1 | 177.6 | -175.5 | 178.6 | 0 | 112.1 | D72 I76 | D72-K74 PolarHBondContact O-N 3.34Å; K74-I76 VanDerWaalsContact C-N 3.32Å; K74-I76 PolarHBondContact O-N 3.21Å |
| 75 | N | 97 | Very high | 95.8 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -84.8 | 74.5 | -175.1 | -64.3 | -21.4 | 0 | 0 | 0 | 110.4 | D72 Q77 L78 L79 | D72-N75 PolarHBondContact O-N 3.31Å; N75-Q77 VanDerWaalsContact C-N 3.28Å; N75-Q77 PolarHBondContact O-N 3.31Å; N75-L78 HydrophobicContact CB-CB 4.39Å; N75-L78 PolarHBondContact O-N 3.22Å; N75-L79 WeakPolarHBondContact O-CG 3.38Å; N75-L79 PolarHBondContact O-N 3.22Å | ||
| 76 | I | 97.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -41 | -174.8 | -58 | 153.5 | 0 | 0 | 0 | 111 | K74 L78 L79 S80 F118 M119 Y128 | K74-I76 VanDerWaalsContact C-N 3.32Å; K74-I76 PolarHBondContact O-N 3.21Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.29Å; I76-L79 PolarHBondContact O-N 3.24Å; I76-L79 VanDerWaalsContact O-N 3.15Å; I76-S80 WeakPolarHBondContact O-CB 3.2Å; I76-S80 PolarHBondContact O-N 2.99Å; I76-F118 HydrophobicContact CD1-CB 4.06Å; I76-F118 WeakPolarHBondContact CD1-O 3.24Å; I76-F118 HydrophobicContact CG1-CB 4.15Å; I76-M119 HydrophobicContact CG2-CB 4.33Å; I76-M119 HydrophobicContact CG2-CG 4.15Å; I76-M119 HydrophobicContact CG2-SD 4.36Å; I76-Y128 HydrophobicContact CB-CE2 4.29Å; I76-Y128 HydrophobicContact CG2-CD2 4.22Å; I76-Y128 HydrophobicContact CG2-CE2 3.64Å |
| 77 | Q | 96.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.8 | -46 | 178.9 | -171.7 | 176.9 | 15.2 | 0 | 0 | 112.6 | N75 Y128 D131 | N75-Q77 VanDerWaalsContact C-N 3.28Å; N75-Q77 PolarHBondContact O-N 3.31Å; Q77-Y128 HydrophobicContact CB-CD1 3.89Å; Q77-Y128 HydrophobicContact CB-CE1 3.71Å; Q77-Y128 HydrophobicContact CG-CD1 3.75Å; Q77-Y128 HydrophobicContact CG-CE1 3.99Å; Q77-D131 WeakPolarHBondContact CG-OD2 3.35Å; Q77-D131 PolarHBondContact NE2-OD1 3.4Å; Q77-D131 VanDerWaalsContact NE2-OD1 3.12Å |
| 78 | L | 96.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 179 | -179.6 | 141.6 | 0 | 0 | 0 | 111.8 | L66 V71 N75 I76 S80 Q81 F82 I106 | L66-L78 HydrophobicContact CD1-CD2 4.46Å; L66-L78 HydrophobicContact CD2-CD1 4.07Å; V71-L78 HydrophobicContact CG1-CD2 4.31Å; N75-L78 HydrophobicContact CB-CB 4.39Å; N75-L78 PolarHBondContact O-N 3.22Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.29Å; L78-S80 VanDerWaalsContact C-N 3.34Å; L78-Q81 PolarHBondContact O-N 2.83Å; L78-F82 HydrophobicContact CD2-CE2 4.12Å; L78-F82 HydrophobicContact CG-CE2 4.39Å; L78-F82 VanDerWaalsContact O-CD2 3.25Å; L78-F82 WeakPolarHBondContact O-CD2 3.19Å; L78-F82 WeakPolarHBondContact O-CE2 3.36Å; L78-I106 HydrophobicContact CD2-CD1 3.7Å |
| 79 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | -179.6 | -61.1 | 179.4 | 0 | 0 | 0 | 112.1 | V71 N75 I76 Q81 F82 I106 A109 I110 A113 M119 | V71-L79 HydrophobicContact CG1-CD2 4.05Å; N75-L79 WeakPolarHBondContact O-CG 3.38Å; N75-L79 PolarHBondContact O-N 3.22Å; I76-L79 PolarHBondContact O-N 3.24Å; I76-L79 VanDerWaalsContact O-N 3.15Å; L79-Q81 PolarHBondContact O-N 3.15Å; L79-F82 PolarHBondContact O-N 3.25Å; L79-F82 VanDerWaalsContact O-N 3.07Å; L79-I106 HydrophobicContact CD2-CD1 3.9Å; L79-A109 HydrophobicContact CD1-CB 4.23Å; L79-A109 HydrophobicContact CD2-CB 3.83Å; L79-I110 HydrophobicContact CB-CG1 3.97Å; L79-I110 HydrophobicContact CD1-CG1 4.47Å; L79-I110 HydrophobicContact CD2-CG1 4.1Å; L79-I110 HydrophobicContact CG-CG1 4.39Å; L79-A113 HydrophobicContact CD1-CB 4.12Å; L79-M119 HydrophobicContact CB-SD 4.11Å |
| 80 | S | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -25.2 | 179.7 | -164.4 | 0 | 0 | 0 | 0 | 112.7 | I76 L78 F82 K124 Y128 | I76-S80 WeakPolarHBondContact O-CB 3.2Å; I76-S80 PolarHBondContact O-N 2.99Å; L78-S80 VanDerWaalsContact C-N 3.34Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 3.31Å; S80-K124 WeakPolarHBondContact O-CE 3.29Å; S80-K124 WeakPolarHBondContact OG-CE 3.23Å; S80-K124 WeakPolarHBondContact OG-CG 3.46Å; S80-Y128 WeakPolarHBondContact OG-CB 3.45Å |
| 81 | Q | 95.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.6 | 176 | -66.1 | 172.1 | 14.7 | 0 | 0 | 113.7 | L78 L79 D131 | L78-Q81 PolarHBondContact O-N 2.83Å; L79-Q81 PolarHBondContact O-N 3.15Å; Q81-D131 HydrophobicContact CG-CB 4.41Å |
| 82 | F | 96.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 14.4 | -178.3 | -60.8 | -72.8 | 0 | 0 | 0 | 113.5 | L66 L78 L79 S80 Y91 T96 L98 I106 I110 V134 | L66-F82 HydrophobicContact CD1-CE2 3.8Å; L66-F82 HydrophobicContact CD1-CZ 3.6Å; L66-F82 HydrophobicContact CG-CZ 4.38Å; L78-F82 HydrophobicContact CD2-CE2 4.12Å; L78-F82 HydrophobicContact CG-CE2 4.39Å; L78-F82 VanDerWaalsContact O-CD2 3.25Å; L78-F82 WeakPolarHBondContact O-CD2 3.19Å; L78-F82 WeakPolarHBondContact O-CE2 3.36Å; L79-F82 PolarHBondContact O-N 3.25Å; L79-F82 VanDerWaalsContact O-N 3.07Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 3.31Å; F82-Y91 VanDerWaalsContact O-CD2 3.24Å; F82-Y91 WeakPolarHBondContact O-CD2 3.15Å; F82-Y91 PolarHBondContact O-N 3.43Å; F82-T96 HydrophobicContact CD1-CG2 3.7Å; F82-T96 HydrophobicContact CE1-CG2 4.42Å; F82-L98 HydrophobicContact CD1-CD1 4.21Å; F82-L98 HydrophobicContact CE1-CD1 3.71Å; F82-L98 HydrophobicContact CE1-CG 4.25Å; F82-L98 HydrophobicContact CZ-CD1 4.05Å; F82-I106 HydrophobicContact CB-CG2 4.07Å; F82-I106 HydrophobicContact CD2-CD1 3.87Å; F82-I106 HydrophobicContact CD2-CG2 4.05Å; F82-I106 HydrophobicContact CE2-CD1 3.81Å; F82-I106 HydrophobicContact CG-CG2 4.11Å; F82-I110 HydrophobicContact CB-CD1 4.46Å; F82-V134 HydrophobicContact CE1-CG1 4.28Å |
| 83 | I | 96.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 147.5 | -174 | -63 | 173.8 | 0 | 0 | 0 | 110.7 | G88 C89 Y91 I110 M119 | I83-G88 VanDerWaalsContact CG2-CA 3.43Å; I83-G88 WeakPolarHBondContact CG2-O 3.15Å; I83-C89 CarbonylContact C-O 3.58Å; I83-C89 WeakPolarHBondContact CA-O 3.41Å; I83-Y91 VanDerWaalsContact O-CE2 3.25Å; I83-Y91 WeakPolarHBondContact O-CE2 3.35Å; I83-Y91 PolarHBondContact O-OH 2.89Å; I83-I110 HydrophobicContact CD1-CD1 4.05Å; I83-I110 HydrophobicContact CD1-CG1 4.21Å; I83-I110 HydrophobicContact CD1-CG2 4.13Å; I83-I110 HydrophobicContact CG1-CD1 3.96Å; I83-M119 HydrophobicContact CD1-CE 3.35Å; I83-M119 HydrophobicContact CD1-SD 3.53Å; I83-M119 VanDerWaalsContact CD1-SD 3.53Å |
| 84 | S | 95.5 | Very high | 96 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | trans | -62.5 | 125.4 | 170.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | F86 T87 G88 C89 Y91 | S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.2Å; S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 3.11Å; S84-G88 PolarHBondContact O-N 3.27Å; S84-C89 PolarHBondContact N-O 3.03Å; S84-Y91 VanDerWaalsContact CA-OH 3.31Å; S84-Y91 WeakPolarHBondContact CA-OH 3.43Å | ||
| 85 | P | 94.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 54 Ų | 54 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.1 | 179.4 | 23.5 | -31.3 | 0 | 0 | 0 | 112.2 | Y91 K124 L129 Y139 | P85-Y91 WeakPolarHBondContact CD-OH 3.45Å; P85-K124 HydrophobicContact CB-CB 4.49Å; P85-K124 HydrophobicContact CB-CD 4.41Å; P85-K124 PolarHBondContact O-N 3.12Å; P85-L129 HydrophobicContact CB-CD1 3.77Å; P85-Y139 VanDerWaalsContact CD-OH 3.3Å; P85-Y139 WeakPolarHBondContact CD-OH 3.11Å; P85-Y139 HydrophobicContact CG-CE2 4.08Å |
| 86 | F | 92.8 | Very high | 95.8 | Very high | 151 Ų | 151 | 50.5 Ų | 50.5 | 66% | 0.662 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -32.8 | -173.8 | -53.2 | -68.5 | 0 | 0 | 0 | 113.9 | S84 Y139 | S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.2Å; F86-Y139 HydrophobicContact CD2-CD1 4.41Å; F86-Y139 HydrophobicContact CD2-CE1 4.17Å; F86-Y139 HydrophobicContact CE2-CD1 4.15Å; F86-Y139 HydrophobicContact CE2-CD2 4.23Å; F86-Y139 HydrophobicContact CE2-CE1 4.25Å; F86-Y139 HydrophobicContact CE2-CE2 4.33Å; F86-Y139 HydrophobicContact CE2-CG 4.14Å |
| 87 | T | 94 | Very high | 95.7 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -14.8 | -167.8 | -30.1 | 0 | 0 | 0 | 0 | 113.4 | S84 C89 T122 | S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 3.11Å; T87-C89 WeakPolarHBondContact CG2-SG 3.42Å; T87-C89 PolarHBondContact O-N 3.42Å; T87-C89 VanDerWaalsContact O-N 3.1Å; T87-T122 CarbonylContact C-O 3.04Å; T87-T122 VanDerWaalsContact O-O 3.12Å |
| 88 | G | 94.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | trans | 69.4 | 3.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I83 S84 V121 T122 | I83-G88 VanDerWaalsContact CG2-CA 3.43Å; I83-G88 WeakPolarHBondContact CG2-O 3.15Å; S84-G88 PolarHBondContact O-N 3.27Å; G88-V121 WeakPolarHBondContact CA-O 3.42Å; G88-T122 PolarHBondContact N-O 3.27Å | ||
| 89 | C | 96.2 | Very high | 95.7 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 133.9 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | I83 S84 T87 | I83-C89 CarbonylContact C-O 3.58Å; I83-C89 WeakPolarHBondContact CA-O 3.41Å; S84-C89 PolarHBondContact N-O 3.03Å; T87-C89 WeakPolarHBondContact CG2-SG 3.42Å; T87-C89 PolarHBondContact O-N 3.42Å; T87-C89 VanDerWaalsContact O-N 3.1Å |
| 90 | I | 97.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 128.3 | 175.9 | -50.4 | 172.8 | 0 | 0 | 0 | 109 | T107 I110 | I90-T107 HydrophobicContact CD1-CG2 4.1Å; I90-I110 HydrophobicContact CD1-CB 4.11Å; I90-I110 HydrophobicContact CD1-CD1 4.26Å; I90-I110 HydrophobicContact CD1-CG2 3.47Å; I90-I110 VanDerWaalsContact CD1-CG2 3.47Å; I90-I110 HydrophobicContact CG1-CD1 4.15Å; I90-I110 HydrophobicContact CG1-CG2 3.84Å; I90-I110 HydrophobicContact CG2-CD1 3.84Å |
| 91 | Y | 96.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 148.7 | 179.4 | -61.2 | -51.8 | 0 | 0 | 0 | 113 | F82 I83 S84 P85 I95 Q103 C135 I137 Y139 | F82-Y91 VanDerWaalsContact O-CD2 3.24Å; F82-Y91 WeakPolarHBondContact O-CD2 3.15Å; F82-Y91 PolarHBondContact O-N 3.43Å; I83-Y91 VanDerWaalsContact O-CE2 3.25Å; I83-Y91 WeakPolarHBondContact O-CE2 3.35Å; I83-Y91 PolarHBondContact O-OH 2.89Å; S84-Y91 VanDerWaalsContact CA-OH 3.31Å; S84-Y91 WeakPolarHBondContact CA-OH 3.43Å; P85-Y91 WeakPolarHBondContact CD-OH 3.45Å; Y91-I95 HydrophobicContact CD1-CD1 4.02Å; Y91-I95 HydrophobicContact CG-CD1 4.43Å; Y91-I95 HydrophobicContact CG-CG2 4.4Å; Y91-Q103 PolarHBondContact O-NE2 3.47Å; Y91-C135 HydrophobicContact CD2-CB 4.02Å; Y91-C135 WeakPolarHBondContact CD2-SG 3.45Å; Y91-C135 HydrophobicContact CE2-CB 4Å; Y91-I137 HydrophobicContact CD1-CD1 3.43Å; Y91-I137 VanDerWaalsContact CD1-CD1 3.43Å; Y91-I137 HydrophobicContact CD2-CD1 4.46Å; Y91-I137 HydrophobicContact CE1-CD1 3.01Å; Y91-I137 HydrophobicContact CE1-CG1 4.46Å; Y91-I137 HydrophobicContact CE2-CD1 4.13Å; Y91-I137 HydrophobicContact CG-CD1 4.14Å; Y91-Y139 PolarHBondContact OH-OH 3.32Å |
| 92 | G | 96.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 167.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H94 I95 T96 | G92-H94 VanDerWaalsContact C-N 3.27Å; G92-H94 PolarHBondContact O-N 2.79Å; G92-I95 PolarHBondContact O-N 3.07Å; G92-T96 PolarHBondContact O-N 3.44Å; G92-T96 VanDerWaalsContact O-N 3.12Å; G92-T96 PolarHBondContact O-OG1 3.22Å |
| 93 | R | 95.8 | Very high | 95.8 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.1 | -34.1 | -178.6 | -173.5 | 179.1 | 176.9 | -132.1 | -4.5 | 113.9 | I95 G97 L98 | R93-I95 PolarHBondContact O-N 3.07Å; R93-G97 PolarHBondContact O-N 2.89Å; R93-L98 VanDerWaalsContact CG-O 3.31Å; R93-L98 WeakPolarHBondContact CG-O 2.93Å; R93-L98 PolarHBondContact NE-O 3.12Å |
| 94 | H | 94.5 | Very high | 95.8 | Very high | 170 Ų | 170 | 63.2 Ų | 63.2 | 79% | 0.787 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -20.2 | 179.6 | 62.7 | -88.2 | 0 | 0 | 0 | 112.7 | G92 | G92-H94 VanDerWaalsContact C-N 3.27Å; G92-H94 PolarHBondContact O-N 2.79Å |
| 95 | I | 95.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -96.1 | -50.7 | 177.6 | -50.5 | -175.7 | 0 | 0 | 0 | 110.6 | Y91 G92 R93 G97 C135 I137 | Y91-I95 HydrophobicContact CD1-CD1 4.02Å; Y91-I95 HydrophobicContact CG-CD1 4.43Å; Y91-I95 HydrophobicContact CG-CG2 4.4Å; G92-I95 PolarHBondContact O-N 3.07Å; R93-I95 PolarHBondContact O-N 3.07Å; I95-G97 VanDerWaalsContact C-N 3.3Å; I95-G97 PolarHBondContact O-N 3.44Å; I95-C135 HydrophobicContact CG2-CB 3.79Å; I95-I137 HydrophobicContact CD1-CD1 3.79Å; I95-I137 HydrophobicContact CD1-CG1 4.24Å; I95-I137 HydrophobicContact CG2-CD1 3.67Å; I95-I137 HydrophobicContact CG2-CG1 3.38Å |
| 96 | T | 95.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.8 | -23.1 | -173.7 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | F82 G92 L98 Q103 | F82-T96 HydrophobicContact CD1-CG2 3.7Å; F82-T96 HydrophobicContact CE1-CG2 4.42Å; G92-T96 PolarHBondContact O-N 3.44Å; G92-T96 VanDerWaalsContact O-N 3.12Å; G92-T96 PolarHBondContact O-OG1 3.22Å; T96-L98 PolarHBondContact O-N 3.42Å; T96-Q103 PolarHBondContact OG1-OE1 3.25Å |
| 97 | G | 94.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | trans | 66.7 | 15.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | R93 I95 | R93-G97 PolarHBondContact O-N 2.89Å; I95-G97 VanDerWaalsContact C-N 3.3Å; I95-G97 PolarHBondContact O-N 3.44Å | ||
| 98 | L | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | trans | -80.4 | 156.7 | -177.5 | -65 | -179.2 | 0 | 0 | 0 | 112.8 | C64 L66 F82 R93 T96 Q103 I106 | C64-L98 HydrophobicContact CB-CD2 4.25Å; L66-L98 HydrophobicContact CB-CD2 4.2Å; L66-L98 HydrophobicContact CD1-CD1 4.13Å; L66-L98 HydrophobicContact CD1-CD2 4.23Å; L66-L98 HydrophobicContact CG-CD2 4.15Å; F82-L98 HydrophobicContact CD1-CD1 4.21Å; F82-L98 HydrophobicContact CE1-CD1 3.71Å; F82-L98 HydrophobicContact CE1-CG 4.25Å; F82-L98 HydrophobicContact CZ-CD1 4.05Å; R93-L98 VanDerWaalsContact CG-O 3.31Å; R93-L98 WeakPolarHBondContact CG-O 2.93Å; R93-L98 PolarHBondContact NE-O 3.12Å; T96-L98 PolarHBondContact O-N 3.42Å; L98-Q103 HydrophobicContact CB-CB 4.47Å; L98-I106 HydrophobicContact CD1-CG1 4.15Å | ||
| 99 | C | 96.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 63 Ų | 63 | 32% | 0.324 | 33% | 0.329 | S | S | . | . | trans | -65 | 150.6 | 166.9 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | C64 C67 K101 K102 Q103 | C64-C99 HydrophobicContact CB-CB 4.46Å; C64-C99 VanDerWaalsContact SG-SG 3.62Å; C67-C99 PolarHBondContact SG-SG 3.16Å; C99-K101 PolarHBondContact O-N 3.22Å; C99-K101 VanDerWaalsContact O-N 3.16Å; C99-K102 PolarHBondContact O-N 3.42Å; C99-K102 VanDerWaalsContact O-N 3.12Å; C99-Q103 PolarHBondContact O-N 2.83Å | ||
| 100 | G | 96.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -32.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K104 | G100-K104 WeakPolarHBondContact O-CG 3.25Å; G100-K104 PolarHBondContact O-N 3.22Å |
| 101 | K | 96.4 | Very high | 96.9 | Very high | 169 Ų | 169 | 62.8 Ų | 62.8 | 74% | 0.735 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.9 | -53.3 | 174.5 | -61.6 | -177.2 | -179 | -179.1 | 0 | 111.1 | C99 Q103 K104 E105 | C99-K101 PolarHBondContact O-N 3.22Å; C99-K101 VanDerWaalsContact O-N 3.16Å; K101-Q103 PolarHBondContact O-N 2.79Å; K101-K104 PolarHBondContact O-N 2.92Å; K101-E105 PolarHBondContact O-N 2.99Å |
| 102 | K | 97.2 | Very high | 97 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | -179.8 | -68.3 | -69.3 | 165.5 | -168.1 | 0 | 113.1 | L66 C67 K69 C99 K104 E105 I106 | L66-K102 HydrophobicContact CB-CD 4.23Å; L66-K102 HydrophobicContact CB-CG 4.41Å; L66-K102 WeakPolarHBondContact O-CD 3.41Å; L66-K102 WeakPolarHBondContact O-CE 3.49Å; C67-K102 WeakPolarHBondContact O-CE 3.48Å; K69-K102 PolarHBondContact O-NZ 2.89Å; C99-K102 PolarHBondContact O-N 3.42Å; C99-K102 VanDerWaalsContact O-N 3.12Å; K102-K104 VanDerWaalsContact C-N 3.33Å; K102-K104 PolarHBondContact O-N 3.44Å; K102-E105 WeakPolarHBondContact CD-OE2 3.34Å; K102-E105 WeakPolarHBondContact CE-OE2 3.34Å; K102-E105 IonicContact NZ-OE1 2.8Å; K102-E105 IonicContact NZ-OE2 2.65Å; K102-E105 PolarHBondContact NZ-OE2 3.24Å; K102-E105 PolarHBondContact O-N 2.95Å; K102-I106 WeakPolarHBondContact O-CB 3.44Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.5Å |
| 103 | Q | 97.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 66.4 Ų | 66.4 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.9 | -171.9 | 70 | 19.1 | 0 | 0 | 111.4 | Y91 T96 L98 C99 K101 I106 T107 | Y91-Q103 PolarHBondContact O-NE2 3.47Å; T96-Q103 PolarHBondContact OG1-OE1 3.25Å; L98-Q103 HydrophobicContact CB-CB 4.47Å; C99-Q103 PolarHBondContact O-N 2.83Å; K101-Q103 PolarHBondContact O-N 2.79Å; Q103-I106 PolarHBondContact O-N 2.95Å; Q103-T107 PolarHBondContact O-N 3.18Å; Q103-T107 PolarHBondContact O-OG1 2.86Å |
| 104 | K | 97.8 | Very high | 97.2 | Very high | 149 Ų | 149 | 60.8 Ų | 60.8 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 176.2 | -72.8 | 175.7 | -178.2 | -177.3 | 0 | 112 | G100 K101 K102 K108 | G100-K104 WeakPolarHBondContact O-CG 3.25Å; G100-K104 PolarHBondContact O-N 3.22Å; K101-K104 PolarHBondContact O-N 2.92Å; K102-K104 VanDerWaalsContact C-N 3.33Å; K102-K104 PolarHBondContact O-N 3.44Å; K104-K108 WeakPolarHBondContact O-CB 3.35Å; K104-K108 VanDerWaalsContact O-CG 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 2.95Å |
| 105 | E | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 174.7 | -73.9 | 168.6 | -149 | 0 | 0 | 111.2 | K101 K102 K108 A109 | K101-E105 PolarHBondContact O-N 2.99Å; K102-E105 WeakPolarHBondContact CD-OE2 3.34Å; K102-E105 WeakPolarHBondContact CE-OE2 3.34Å; K102-E105 IonicContact NZ-OE1 2.8Å; K102-E105 IonicContact NZ-OE2 2.65Å; K102-E105 PolarHBondContact NZ-OE2 3.24Å; K102-E105 PolarHBondContact O-N 2.95Å; E105-K108 PolarHBondContact O-N 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 3.26Å |
| 106 | I | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 177.4 | -71.5 | -75.9 | 0 | 0 | 0 | 111.3 | L66 V71 L78 L79 F82 L98 K102 Q103 K108 A109 I110 | L66-I106 HydrophobicContact CD1-CD1 3.8Å; L66-I106 HydrophobicContact CD1-CG1 4.1Å; V71-I106 HydrophobicContact CB-CD1 4.41Å; V71-I106 HydrophobicContact CG1-CD1 3.49Å; V71-I106 VanDerWaalsContact CG1-CD1 3.49Å; V71-I106 HydrophobicContact CG1-CG1 4.22Å; V71-I106 HydrophobicContact CG2-CD1 3.99Å; V71-I106 HydrophobicContact CG2-CG1 4.42Å; L78-I106 HydrophobicContact CD2-CD1 3.7Å; L79-I106 HydrophobicContact CD2-CD1 3.9Å; F82-I106 HydrophobicContact CB-CG2 4.07Å; F82-I106 HydrophobicContact CD2-CD1 3.87Å; F82-I106 HydrophobicContact CD2-CG2 4.05Å; F82-I106 HydrophobicContact CE2-CD1 3.81Å; F82-I106 HydrophobicContact CG-CG2 4.11Å; L98-I106 HydrophobicContact CD1-CG1 4.15Å; K102-I106 WeakPolarHBondContact O-CB 3.44Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.5Å; Q103-I106 PolarHBondContact O-N 2.95Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 2.85Å; I106-A109 PolarHBondContact O-N 3.01Å; I106-I110 HydrophobicContact CG2-CD1 3.59Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 WeakPolarHBondContact O-CB 3.3Å; I106-I110 VanDerWaalsContact O-CG1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.32Å; I106-I110 PolarHBondContact O-N 2.99Å |
| 107 | T | 98.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 178.9 | -57.6 | 0 | 0 | 0 | 0 | 112 | I90 Q103 K111 | I90-T107 HydrophobicContact CD1-CG2 4.1Å; Q103-T107 PolarHBondContact O-N 3.18Å; Q103-T107 PolarHBondContact O-OG1 2.86Å; T107-K111 HydrophobicContact CG2-CD 4.35Å; T107-K111 WeakPolarHBondContact O-CB 3.45Å; T107-K111 WeakPolarHBondContact O-CG 3.3Å; T107-K111 PolarHBondContact O-N 3.12Å; T107-K111 VanDerWaalsContact O-N 3.09Å |
| 108 | K | 98.3 | Very high | 97.6 | Very high | 152 Ų | 152 | 69.7 Ų | 69.7 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67 | -43 | 176.1 | -75.9 | 179.1 | 179 | -174.5 | 0 | 111.6 | K104 E105 I106 K111 R112 | K104-K108 WeakPolarHBondContact O-CB 3.35Å; K104-K108 VanDerWaalsContact O-CG 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 2.95Å; E105-K108 PolarHBondContact O-N 3.32Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 2.85Å; K108-K111 PolarHBondContact O-N 3.27Å; K108-R112 VanDerWaalsContact O-CB 3.3Å; K108-R112 WeakPolarHBondContact O-CB 3.09Å; K108-R112 PolarHBondContact O-N 3.01Å |
| 109 | A | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V71 L79 E105 I106 R112 A113 | V71-A109 HydrophobicContact CG1-CB 4.05Å; L79-A109 HydrophobicContact CD1-CB 4.23Å; L79-A109 HydrophobicContact CD2-CB 3.83Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 3.26Å; I106-A109 PolarHBondContact O-N 3.01Å; A109-R112 PolarHBondContact O-N 3.36Å; A109-A113 WeakPolarHBondContact O-CB 3.17Å; A109-A113 PolarHBondContact O-N 2.82Å |
| 110 | I | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.6 | -53.5 | 174.7 | -73.1 | 169.3 | 0 | 0 | 0 | 110.8 | L79 F82 I83 I90 I106 R112 A113 Q114 M119 | L79-I110 HydrophobicContact CB-CG1 3.97Å; L79-I110 HydrophobicContact CD1-CG1 4.47Å; L79-I110 HydrophobicContact CD2-CG1 4.1Å; L79-I110 HydrophobicContact CG-CG1 4.39Å; F82-I110 HydrophobicContact CB-CD1 4.46Å; I83-I110 HydrophobicContact CD1-CD1 4.05Å; I83-I110 HydrophobicContact CD1-CG1 4.21Å; I83-I110 HydrophobicContact CD1-CG2 4.13Å; I83-I110 HydrophobicContact CG1-CD1 3.96Å; I90-I110 HydrophobicContact CD1-CB 4.11Å; I90-I110 HydrophobicContact CD1-CD1 4.26Å; I90-I110 HydrophobicContact CD1-CG2 3.47Å; I90-I110 VanDerWaalsContact CD1-CG2 3.47Å; I90-I110 HydrophobicContact CG1-CD1 4.15Å; I90-I110 HydrophobicContact CG1-CG2 3.84Å; I90-I110 HydrophobicContact CG2-CD1 3.84Å; I106-I110 HydrophobicContact CG2-CD1 3.59Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 WeakPolarHBondContact O-CB 3.3Å; I106-I110 VanDerWaalsContact O-CG1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.32Å; I106-I110 PolarHBondContact O-N 2.99Å; I110-R112 PolarHBondContact O-N 3.25Å; I110-A113 PolarHBondContact O-N 3.06Å; I110-Q114 HydrophobicContact CG2-CG 4.48Å; I110-Q114 WeakPolarHBondContact O-CB 3.3Å; I110-Q114 WeakPolarHBondContact O-CG 3.38Å; I110-Q114 PolarHBondContact O-N 2.81Å; I110-M119 HydrophobicContact CB-CE 3.94Å; I110-M119 HydrophobicContact CG1-CE 4.01Å; I110-M119 HydrophobicContact CG2-CE 3.45Å; I110-M119 VanDerWaalsContact CG2-CE 3.45Å |
| 111 | K | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | -179.5 | -73.2 | -176.6 | 177.2 | -169.7 | 0 | 112.2 | T107 K108 K115 | T107-K111 HydrophobicContact CG2-CD 4.35Å; T107-K111 WeakPolarHBondContact O-CB 3.45Å; T107-K111 WeakPolarHBondContact O-CG 3.3Å; T107-K111 PolarHBondContact O-N 3.12Å; T107-K111 VanDerWaalsContact O-N 3.09Å; K108-K111 PolarHBondContact O-N 3.27Å; K111-K115 VanDerWaalsContact O-CG 3.29Å; K111-K115 WeakPolarHBondContact O-CG 3.36Å; K111-K115 PolarHBondContact O-N 3.43Å; K111-K115 VanDerWaalsContact O-N 3.12Å |
| 112 | R | 98.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 68.6 Ų | 68.6 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 175.2 | -176.4 | -177.1 | -67.6 | 172.8 | -1 | 111.1 | Y73 K108 A109 I110 Q114 K115 M116 | Y73-R112 VanDerWaalsContact CD1-CD 3.47Å; Y73-R112 HydrophobicContact CD1-CG 4.47Å; Y73-R112 HydrophobicContact CD2-CG 4.25Å; Y73-R112 HydrophobicContact CG-CG 4.06Å; K108-R112 VanDerWaalsContact O-CB 3.3Å; K108-R112 WeakPolarHBondContact O-CB 3.09Å; K108-R112 PolarHBondContact O-N 3.01Å; A109-R112 PolarHBondContact O-N 3.36Å; I110-R112 PolarHBondContact O-N 3.25Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 2.81Å; R112-K115 PolarHBondContact O-N 3.47Å; R112-M116 HydrophobicContact CG-CE 3.74Å; R112-M116 HydrophobicContact CG-CG 4.48Å; R112-M116 HydrophobicContact CG-SD 3.75Å; R112-M116 WeakPolarHBondContact O-CB 3.31Å; R112-M116 WeakPolarHBondContact O-CG 3.25Å; R112-M116 PolarHBondContact O-N 2.89Å |
| 113 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y73 L79 A109 I110 M116 G117 F118 M119 | Y73-A113 WeakPolarHBondContact O-CB 3.41Å; L79-A113 HydrophobicContact CD1-CB 4.12Å; A109-A113 WeakPolarHBondContact O-CB 3.17Å; A109-A113 PolarHBondContact O-N 2.82Å; I110-A113 PolarHBondContact O-N 3.06Å; A113-M116 PolarHBondContact O-N 3.19Å; A113-G117 PolarHBondContact O-N 3.13Å; A113-G117 VanDerWaalsContact O-N 3.13Å; A113-F118 HydrophobicContact CB-CB 4.19Å; A113-F118 PolarHBondContact O-N 3.39Å; A113-M119 HydrophobicContact CB-CB 4.13Å; A113-M119 PolarHBondContact O-N 2.98Å |
| 114 | Q | 97.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 175.4 | -76.2 | 174.2 | -18.4 | 0 | 0 | 112.5 | I110 R112 M116 G117 M119 P120 V121 | I110-Q114 HydrophobicContact CG2-CG 4.48Å; I110-Q114 WeakPolarHBondContact O-CB 3.3Å; I110-Q114 WeakPolarHBondContact O-CG 3.38Å; I110-Q114 PolarHBondContact O-N 2.81Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 2.81Å; Q114-M116 VanDerWaalsContact C-N 3.29Å; Q114-M116 PolarHBondContact O-N 3.24Å; Q114-G117 PolarHBondContact O-N 3.38Å; Q114-M119 WeakPolarHBondContact CA-O 3.33Å; Q114-M119 HydrophobicContact CG-CE 3.83Å; Q114-P120 PolarHBondContact NE2-O 3.28Å; Q114-V121 HydrophobicContact CB-CG2 3.86Å; Q114-V121 HydrophobicContact CG-CG2 3.83Å |
| 115 | K | 98.1 | Very high | 97.3 | Very high | 187 Ų | 187 | 69.3 Ų | 69.3 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.9 | -32.3 | 178.6 | -74.2 | 179.8 | 178.9 | -165.8 | 0 | 113.4 | K111 R112 G117 | K111-K115 VanDerWaalsContact O-CG 3.29Å; K111-K115 WeakPolarHBondContact O-CG 3.36Å; K111-K115 PolarHBondContact O-N 3.43Å; K111-K115 VanDerWaalsContact O-N 3.12Å; R112-K115 PolarHBondContact O-N 3.47Å; K115-G117 VanDerWaalsContact C-N 3.3Å |
| 116 | M | 97.5 | Very high | 97.2 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 50% | 0.502 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.4 | 178.5 | -70.9 | 176.9 | 172 | 0 | 0 | 113.1 | Y73 R112 A113 Q114 F118 | Y73-M116 HydrophobicContact CD2-SD 3.76Å; Y73-M116 HydrophobicContact CE2-CE 4.35Å; Y73-M116 HydrophobicContact CE2-SD 3.35Å; Y73-M116 WeakPolarHBondContact CE2-SD 3.47Å; R112-M116 HydrophobicContact CG-CE 3.74Å; R112-M116 HydrophobicContact CG-CG 4.48Å; R112-M116 HydrophobicContact CG-SD 3.75Å; R112-M116 WeakPolarHBondContact O-CB 3.31Å; R112-M116 WeakPolarHBondContact O-CG 3.25Å; R112-M116 PolarHBondContact O-N 2.89Å; A113-M116 PolarHBondContact O-N 3.19Å; Q114-M116 VanDerWaalsContact C-N 3.29Å; Q114-M116 PolarHBondContact O-N 3.24Å; M116-F118 HydrophobicContact CB-CD2 3.54Å; M116-F118 HydrophobicContact CB-CE2 3.73Å; M116-F118 HydrophobicContact CG-CE2 4.49Å; M116-F118 HydrophobicContact SD-CD2 4.4Å; M116-F118 HydrophobicContact SD-CE2 4.09Å |
| 117 | G | 96.7 | Very high | 97.1 | Very high | 67 Ų | 67 | 73.7 Ų | 73.7 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | A113 Q114 K115 | A113-G117 PolarHBondContact O-N 3.13Å; A113-G117 VanDerWaalsContact O-N 3.13Å; Q114-G117 PolarHBondContact O-N 3.38Å; K115-G117 VanDerWaalsContact C-N 3.3Å |
| 118 | F | 97.2 | Very high | 97 | Very high | 99 Ų | 99 | 74.5 Ų | 74.5 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -76.7 | -25.2 | 175.8 | -71.9 | -70.5 | 0 | 0 | 0 | 113.1 | Y73 I76 A113 M116 | Y73-F118 HydrophobicContact CD2-CD2 4.27Å; Y73-F118 HydrophobicContact CD2-CE2 4.35Å; Y73-F118 HydrophobicContact CE2-CD2 4.3Å; Y73-F118 AromaticContact CE2-CE2 3.92Å; Y73-F118 HydrophobicContact CE2-CE2 3.92Å; I76-F118 HydrophobicContact CD1-CB 4.06Å; I76-F118 WeakPolarHBondContact CD1-O 3.24Å; I76-F118 HydrophobicContact CG1-CB 4.15Å; A113-F118 HydrophobicContact CB-CB 4.19Å; A113-F118 PolarHBondContact O-N 3.39Å; M116-F118 HydrophobicContact CB-CD2 3.54Å; M116-F118 HydrophobicContact CB-CE2 3.73Å; M116-F118 HydrophobicContact CG-CE2 4.49Å; M116-F118 HydrophobicContact SD-CD2 4.4Å; M116-F118 HydrophobicContact SD-CE2 4.09Å |
| 119 | M | 96.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 5% | 0.054 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -140.8 | 136.8 | -174.5 | -170.6 | 174.5 | 66.8 | 0 | 0 | 111.5 | I76 L79 I83 I110 A113 Q114 | I76-M119 HydrophobicContact CG2-CB 4.33Å; I76-M119 HydrophobicContact CG2-CG 4.15Å; I76-M119 HydrophobicContact CG2-SD 4.36Å; L79-M119 HydrophobicContact CB-SD 4.11Å; I83-M119 HydrophobicContact CD1-CE 3.35Å; I83-M119 HydrophobicContact CD1-SD 3.53Å; I83-M119 VanDerWaalsContact CD1-SD 3.53Å; I110-M119 HydrophobicContact CB-CE 3.94Å; I110-M119 HydrophobicContact CG1-CE 4.01Å; I110-M119 HydrophobicContact CG2-CE 3.45Å; I110-M119 VanDerWaalsContact CG2-CE 3.45Å; A113-M119 HydrophobicContact CB-CB 4.13Å; A113-M119 PolarHBondContact O-N 2.98Å; Q114-M119 WeakPolarHBondContact CA-O 3.33Å; Q114-M119 HydrophobicContact CG-CE 3.83Å |
| 120 | P | 96.9 | Very high | 96.5 | Very high | 35 Ų | 35 | 81.7 Ų | 81.7 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | trans | -63.3 | 152 | 175.4 | 23.8 | -32.9 | 0 | 0 | 0 | 112.7 | Q114 Y123 D125 | Q114-P120 PolarHBondContact NE2-O 3.28Å; P120-Y123 HydrophobicContact CB-CD2 4.4Å; P120-Y123 HydrophobicContact CB-CE2 4.17Å; P120-Y123 WeakPolarHBondContact CB-O 3.43Å; P120-Y123 HydrophobicContact CG-CD2 4.35Å; P120-Y123 HydrophobicContact CG-CE2 4.2Å; P120-Y123 VanDerWaalsContact CG-O 3.23Å; P120-Y123 WeakPolarHBondContact CG-O 3.35Å; P120-D125 HydrophobicContact CG-CB 4.25Å | ||
| 121 | V | 97.1 | Very high | 96.3 | Very high | 86 Ų | 86 | 82.9 Ų | 82.9 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -93.1 | -39.2 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | G88 Q114 | G88-V121 WeakPolarHBondContact CA-O 3.42Å; Q114-V121 HydrophobicContact CB-CG2 3.86Å; Q114-V121 HydrophobicContact CG-CG2 3.83Å |
| 122 | T | 96.5 | Very high | 96.1 | Very high | 97 Ų | 97 | 81.9 Ų | 81.9 | 60% | 0.595 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -88.9 | -25.2 | -167.7 | 45.2 | 0 | 0 | 0 | 0 | 113.9 | T87 G88 | T87-T122 CarbonylContact C-O 3.04Å; T87-T122 VanDerWaalsContact O-O 3.12Å; G88-T122 PolarHBondContact N-O 3.27Å |
| 123 | Y | 95.4 | Very high | 95.7 | Very high | 128 Ų | 128 | 84.2 Ų | 84.2 | 50% | 0.502 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -147.1 | 165.8 | -178.4 | 58 | -92.3 | 0 | 0 | 0 | 110.3 | P120 | P120-Y123 HydrophobicContact CB-CD2 4.4Å; P120-Y123 HydrophobicContact CB-CE2 4.17Å; P120-Y123 WeakPolarHBondContact CB-O 3.43Å; P120-Y123 HydrophobicContact CG-CD2 4.35Å; P120-Y123 HydrophobicContact CG-CE2 4.2Å; P120-Y123 VanDerWaalsContact CG-O 3.23Å; P120-Y123 WeakPolarHBondContact CG-O 3.35Å |
| 124 | K | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 85.9 Ų | 85.9 | 13% | 0.13 | 46% | 0.456 | C | S | . | . | trans | -84.5 | 134.7 | 171.3 | -172.6 | -177.1 | 176.1 | -176 | 0 | 109.6 | S80 P85 Y128 | S80-K124 WeakPolarHBondContact O-CE 3.29Å; S80-K124 WeakPolarHBondContact OG-CE 3.23Å; S80-K124 WeakPolarHBondContact OG-CG 3.46Å; P85-K124 HydrophobicContact CB-CB 4.49Å; P85-K124 HydrophobicContact CB-CD 4.41Å; P85-K124 PolarHBondContact O-N 3.12Å; K124-Y128 WeakPolarHBondContact CE-O 3.33Å; K124-Y128 PolarHBondContact NZ-O 3.09Å | ||
| 125 | D | 95.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 84.7 Ų | 84.7 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | trans | -56.1 | 126.1 | 177.1 | 173 | -4.9 | 0 | 0 | 0 | 110.8 | P120 A127 Y128 | P120-D125 HydrophobicContact CG-CB 4.25Å; D125-A127 PolarHBondContact O-N 3.29Å; D125-A127 VanDerWaalsContact O-N 3.11Å; D125-A127 WeakPolarHBondContact OD1-CB 3.35Å; D125-A127 PolarHBondContact OD1-N 3.42Å; D125-Y128 HydrophobicContact CB-CD2 3.85Å; D125-Y128 HydrophobicContact CB-CE2 4.2Å; D125-Y128 PolarHBondContact O-N 3.46Å; D125-Y128 WeakPolarHBondContact OD2-CE2 3.46Å | ||
| 126 | P | 95.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 83.1 Ų | 83.1 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -52.9 | -29.2 | -179.2 | -27.9 | 34.9 | 0 | 0 | 0 | 114.7 | Y128 L129 | P126-Y128 PolarHBondContact O-N 2.89Å; P126-L129 WeakPolarHBondContact O-CB 3.48Å; P126-L129 PolarHBondContact O-N 3.2Å |
| 127 | A | 95.7 | Very high | 93.9 | Very high | 73 Ų | 73 | 80.4 Ų | 80.4 | 60% | 0.603 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -59.1 | -34.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D125 | D125-A127 PolarHBondContact O-N 3.29Å; D125-A127 VanDerWaalsContact O-N 3.11Å; D125-A127 WeakPolarHBondContact OD1-CB 3.35Å; D125-A127 PolarHBondContact OD1-N 3.42Å |
| 128 | Y | 95.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 88.9 Ų | 88.9 | 22% | 0.22 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -99.4 | 9.3 | -175.4 | -54.6 | -61.5 | 0 | 0 | 0 | 113.4 | I76 Q77 S80 K124 D125 P126 K130 D131 | I76-Y128 HydrophobicContact CB-CE2 4.29Å; I76-Y128 HydrophobicContact CG2-CD2 4.22Å; I76-Y128 HydrophobicContact CG2-CE2 3.64Å; Q77-Y128 HydrophobicContact CB-CD1 3.89Å; Q77-Y128 HydrophobicContact CB-CE1 3.71Å; Q77-Y128 HydrophobicContact CG-CD1 3.75Å; Q77-Y128 HydrophobicContact CG-CE1 3.99Å; S80-Y128 WeakPolarHBondContact OG-CB 3.45Å; K124-Y128 WeakPolarHBondContact CE-O 3.33Å; K124-Y128 PolarHBondContact NZ-O 3.09Å; D125-Y128 HydrophobicContact CB-CD2 3.85Å; D125-Y128 HydrophobicContact CB-CE2 4.2Å; D125-Y128 PolarHBondContact O-N 3.46Å; D125-Y128 WeakPolarHBondContact OD2-CE2 3.46Å; P126-Y128 PolarHBondContact O-N 2.89Å; Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 3.23Å; Y128-D131 WeakPolarHBondContact CB-OD2 3.47Å; Y128-D131 PolarHBondContact O-N 3.03Å |
| 129 | L | 93.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 88.5 Ų | 88.5 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -29.8 | -177 | -170.2 | 62 | 0 | 0 | 0 | 112.4 | P85 P126 D131 | P85-L129 HydrophobicContact CB-CD1 3.77Å; P126-L129 WeakPolarHBondContact O-CB 3.48Å; P126-L129 PolarHBondContact O-N 3.2Å; L129-D131 VanDerWaalsContact C-N 3.34Å |
| 130 | K | 93.4 | Very high | 92.1 | Very high | 208 Ų | 208 | 99.9 Ų | 99.9 | 90% | 0.904 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.3 | -178 | -60.7 | -179.2 | -177.9 | 179.2 | 0 | 114.1 | Y128 | Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 3.23Å |
| 131 | D | 93.7 | Very high | 90.5 | Very high | 26 Ų | 26 | 110.5 Ų | 110.5 | 14% | 0.139 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -62.6 | 152.9 | 177.6 | -75.4 | -28.5 | 0 | 0 | 0 | 112.2 | Q77 Q81 Y128 L129 K133 | Q77-D131 WeakPolarHBondContact CG-OD2 3.35Å; Q77-D131 PolarHBondContact NE2-OD1 3.4Å; Q77-D131 VanDerWaalsContact NE2-OD1 3.12Å; Q81-D131 HydrophobicContact CG-CB 4.41Å; Y128-D131 WeakPolarHBondContact CB-OD2 3.47Å; Y128-D131 PolarHBondContact O-N 3.03Å; L129-D131 VanDerWaalsContact C-N 3.34Å; D131-K133 PolarHBondContact O-N 3.3Å |
| 132 | P | 93.4 | Very high | 90.2 | Very high | 97 Ų | 97 | 111.7 Ų | 111.7 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | trans | -57.6 | 130.3 | 176.7 | 24.2 | -34.1 | 0 | 0 | 0 | 111.1 | V134 | P132-V134 PolarHBondContact O-N 3.45Š| ||
| 133 | K | 89.9 | Confident | 89.9 | Confident | 180 Ų | 180 | 112.5 Ų | 112.5 | 78% | 0.783 | 53% | 0.533 | S | S | * | . | trans | -78.3 | 108.1 | -178.1 | -65.5 | -179.6 | -177.7 | 176.3 | 0 | 110 | D131 | D131-K133 PolarHBondContact O-N 3.3Š| ||
| 134 | V | 90.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 111.6 Ų | 111.6 | 22% | 0.218 | 53% | 0.534 | C | S | . | . | trans | -78.4 | -30.2 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 112 | I65 F82 P132 | I65-V134 HydrophobicContact CD1-CG1 3.4Å; F82-V134 HydrophobicContact CE1-CG1 4.28Å; P132-V134 PolarHBondContact O-N 3.45Å | ||
| 135 | C | 89.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 116.4 Ų | 116.4 | 8% | 0.081 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -89.9 | 128.5 | -175.9 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | Y91 I95 I137 | Y91-C135 HydrophobicContact CD2-CB 4.02Å; Y91-C135 WeakPolarHBondContact CD2-SG 3.45Å; Y91-C135 HydrophobicContact CE2-CB 4Å; I95-C135 HydrophobicContact CG2-CB 3.79Å; C135-I137 HydrophobicContact CB-CG1 4.44Å; C135-I137 PolarHBondContact O-N 3.1Å |
| 136 | N | 84.4 | Confident | 88.8 | Confident | 153 Ų | 153 | 120.4 Ų | 120.4 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | trans | -79.1 | 57.5 | -179.9 | -63.7 | -41 | 0 | 0 | 0 | 112.1 | ||||
| 137 | I | 89 | Confident | 88.4 | Confident | 46 Ų | 46 | 122.1 Ų | 122.1 | 24% | 0.236 | 57% | 0.573 | C | S | . | * | P | Polyproline II helix | trans | -103.7 | 126.7 | 175 | -56.8 | -177.2 | 0 | 0 | 0 | 109.2 | Y91 I95 C135 Y139 | Y91-I137 HydrophobicContact CD1-CD1 3.43Å; Y91-I137 VanDerWaalsContact CD1-CD1 3.43Å; Y91-I137 HydrophobicContact CD2-CD1 4.46Å; Y91-I137 HydrophobicContact CE1-CD1 3.01Å; Y91-I137 HydrophobicContact CE1-CG1 4.46Å; Y91-I137 HydrophobicContact CE2-CD1 4.13Å; Y91-I137 HydrophobicContact CG-CD1 4.14Å; I95-I137 HydrophobicContact CD1-CD1 3.79Å; I95-I137 HydrophobicContact CD1-CG1 4.24Å; I95-I137 HydrophobicContact CG2-CD1 3.67Å; I95-I137 HydrophobicContact CG2-CG1 3.38Å; C135-I137 HydrophobicContact CB-CG1 4.44Å; C135-I137 PolarHBondContact O-N 3.1Å; I137-Y139 HydrophobicContact CB-CE2 4.48Å; I137-Y139 HydrophobicContact CG2-CD1 4.44Å; I137-Y139 HydrophobicContact CG2-CD2 4.28Å; I137-Y139 HydrophobicContact CG2-CE1 4.1Å; I137-Y139 HydrophobicContact CG2-CE2 3.92Å |
| 138 | R | 88.3 | Confident | 87.9 | Confident | 244 Ų | 244 | 125.6 Ų | 125.6 | 92% | 0.921 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 117.5 | 165.2 | -60.8 | -174.6 | -175.4 | -175.3 | 0.7 | 107.3 | ||
| 139 | Y | 84.3 | Confident | 87.3 | Confident | 91 Ų | 91 | 130.9 Ų | 130.9 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 149 | 166.3 | -66.1 | -77.5 | 0 | 0 | 0 | 108 | P85 F86 Y91 I137 E141 | P85-Y139 VanDerWaalsContact CD-OH 3.3Å; P85-Y139 WeakPolarHBondContact CD-OH 3.11Å; P85-Y139 HydrophobicContact CG-CE2 4.08Å; F86-Y139 HydrophobicContact CD2-CD1 4.41Å; F86-Y139 HydrophobicContact CD2-CE1 4.17Å; F86-Y139 HydrophobicContact CE2-CD1 4.15Å; F86-Y139 HydrophobicContact CE2-CD2 4.23Å; F86-Y139 HydrophobicContact CE2-CE1 4.25Å; F86-Y139 HydrophobicContact CE2-CE2 4.33Å; F86-Y139 HydrophobicContact CE2-CG 4.14Å; Y91-Y139 PolarHBondContact OH-OH 3.32Å; I137-Y139 HydrophobicContact CB-CE2 4.48Å; I137-Y139 HydrophobicContact CG2-CD1 4.44Å; I137-Y139 HydrophobicContact CG2-CD2 4.28Å; I137-Y139 HydrophobicContact CG2-CE1 4.1Å; I137-Y139 HydrophobicContact CG2-CE2 3.92Å; Y139-E141 PolarHBondContact O-N 3.42Å |
| 140 | R | 80.5 | Confident | 86.8 | Confident | 250 Ų | 250 | 133.4 Ų | 133.4 | 94% | 0.943 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 117.9 | 170.6 | -169.9 | 175 | -176.5 | 172.9 | 1.1 | 106.9 | ||
| 141 | E | 64.5 | Low | 86.2 | Confident | 258 Ų | 258 | 126.6 Ų | 126.6 | 100% | 1.206 | 58% | 0.576 | S | S | * | * | trans | -67.8 | 0 | 172.1 | -65.7 | 175.4 | 178.2 | 0 | 0 | 110.7 | Y139 | Y139-E141 PolarHBondContact O-N 3.42Š|
Retrieved 141 of 141 residues in 106.8 ms
(Link to these results)