| 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 | 47.6 | Very low | 48.6 | Very low | 240 Ų | 240 | 168.1 Ų | 168.1 | 100% | 1.182 | 84% | 0.835 | S | S | * | * | 0 | 71.2 | 0 | -63.9 | 168.4 | 174.9 | 0 | 0 | 106.4 | |||||
| 2 | A | 42.3 | Very low | 48.6 | Very low | 79 Ų | 79 | 166.7 Ų | 166.7 | 65% | 0.653 | 83% | 0.833 | S | S | * | * | 54.6 | 95.4 | 67.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | Y | 52.7 | Low | 48.7 | Very low | 244 Ų | 244 | 161.9 Ų | 161.9 | 96% | 0.957 | 83% | 0.826 | S | S | * | * | trans | -149.5 | 128.4 | 138.2 | -83.9 | -67 | 0 | 0 | 0 | 109.7 | ||||
| 4 | D | 46.7 | Very low | 48.2 | Very low | 147 Ų | 147 | 155 Ų | 155 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 155.9 | -164.9 | -75.2 | -56.2 | 0 | 0 | 0 | 114.9 | ||||
| 5 | M | 43.3 | Very low | 47.7 | Very low | 167 Ų | 167 | 159.3 Ų | 159.3 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | 1.2 | 131.4 | 143.2 | -70.6 | -98 | 161.6 | 0 | 0 | 119.4 | ||||
| 6 | I | 55.4 | Low | 47.4 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 118 | 138.2 | -58.4 | 178.7 | 0 | 0 | 0 | 108.9 | Y8 | I6-Y8 HydrophobicContact CG2-CD2 4.33Å; I6-Y8 HydrophobicContact CG2-CE2 4Å | ||
| 7 | S | 49 | Very low | 47 | Very low | 94 Ų | 94 | 161.5 Ų | 161.5 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | trans | -90.2 | 145.6 | 173.8 | 44.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | Y | 53.2 | Low | 46.7 | Very low | 220 Ų | 220 | 165.6 Ų | 165.6 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | trans | -124.2 | 105.9 | 161.5 | -87 | -80.7 | 0 | 0 | 0 | 109.6 | I6 | I6-Y8 HydrophobicContact CG2-CD2 4.33Å; I6-Y8 HydrophobicContact CG2-CE2 4Å | ||
| 9 | S | 49.2 | Very low | 46.5 | Very low | 98 Ų | 98 | 165.4 Ų | 165.4 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -75.1 | 129.3 | 167 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | N | 49 | Very low | 46 | Very low | 169 Ų | 169 | 161.2 Ų | 161.2 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -125.5 | 98.6 | 151.9 | -84.9 | -40.4 | 0 | 0 | 0 | 107.7 | ||||
| 11 | R | 46.1 | Very low | 45.9 | Very low | 240 Ų | 240 | 158.4 Ų | 158.4 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 127.9 | 160.1 | -71.7 | 178.3 | -178.6 | 174.3 | 0.7 | 106.8 | ||||
| 12 | D | 49.4 | Very low | 45.4 | Very low | 151 Ų | 151 | 158 Ų | 158 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -149.5 | 140.2 | 137.6 | -138.6 | -29.4 | 0 | 0 | 0 | 111.4 | ||||
| 13 | S | 49.5 | Very low | 45.3 | Very low | 105 Ų | 105 | 163.3 Ų | 163.3 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -32.2 | 141.1 | 178 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 14 | G | 41 | Very low | 45 | Very low | 65 Ų | 65 | 154.9 Ų | 154.9 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | cis | 96.7 | 97.3 | 46.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | R | 41.3 | Very low | 44.3 | Very low | 219 Ų | 219 | 156.8 Ų | 156.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -168.8 | 96.2 | 150.4 | -110.6 | -176.4 | -73.9 | -179 | -1.5 | 111.2 | Y17 | R15-Y17 HydrophobicContact CG-CE2 4.34Š| ||
| 16 | D | 43.2 | Very low | 44.1 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 137.3 | 160.8 | -64.2 | -58.5 | 0 | 0 | 0 | 110.8 | ||||
| 17 | Y | 40.2 | Very low | 43.1 | Very low | 203 Ų | 203 | 152.8 Ų | 152.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 88.4 | 149 | -75.3 | -73.3 | 0 | 0 | 0 | 108.9 | R15 | R15-Y17 HydrophobicContact CG-CE2 4.34Š| ||
| 18 | R | 41.6 | Very low | 42.5 | Very low | 236 Ų | 236 | 156.3 Ų | 156.3 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 125.1 | 154 | -103 | 179.6 | 175 | 171.9 | -0.6 | 107.9 | ||||
| 19 | N | 42.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 112 | 152.5 | -84.7 | -26.8 | 0 | 0 | 0 | 104.8 | ||||
| 20 | G | 36.1 | Very low | 40.7 | Very low | 81 Ų | 81 | 157.3 Ų | 157.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | cis | 97.6 | 51.6 | 19.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | S | 44.5 | Very low | 40.3 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -167.2 | 99.9 | 153.7 | -156.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | R | 36.6 | Very low | 39.9 | Very low | 232 Ų | 232 | 149.3 Ų | 149.3 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | 46.1 | 103.6 | 87.2 | -71.8 | -172.2 | -179.1 | 170.6 | 1 | 112.7 | |||||
| 23 | H | 40.6 | Very low | 39.4 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | 167.1 | 138.5 | 144 | -88 | -71.5 | 0 | 0 | 0 | 106.2 | ||||
| 24 | A | 45.7 | Very low | 39 | Very low | 66 Ų | 66 | 152.6 Ų | 152.6 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | cis | -170.8 | 133.6 | -20.7 | 0 | 0 | 0 | 0 | 0 | 101.9 | ||||
| 25 | E | 32 | Very low | 38.9 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 133.1 | 176.8 | -55.6 | -166.3 | 159.3 | 0 | 0 | 110.4 | ||||
| 26 | H | 39 | Very low | 38.3 | Very low | 143 Ų | 143 | 156.7 Ų | 156.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -151 | 81.7 | 176.3 | -90.8 | -62.6 | 0 | 0 | 0 | 108.4 | Y28 | H26-Y28 VanDerWaalsContact CA-CE2 3.4Å; H26-Y28 HydrophobicContact CB-CD2 4.3Å; H26-Y28 HydrophobicContact CB-CE2 3.42Å; H26-Y28 VanDerWaalsContact CB-CE2 3.42Å; H26-Y28 AromaticContact CE1-CZ 3.96Å; H26-Y28 PolarHBondContact CE1-OH 3.46Å; H26-Y28 VanDerWaalsContact CE1-OH 3.26Å; H26-Y28 AromaticContact CG-CE2 3.49Å; H26-Y28 VanDerWaalsContact CG-CE2 3.49Å; H26-Y28 AromaticContact CG-CZ 3.97Å; H26-Y28 AromaticContact ND1-CE2 2.91Å; H26-Y28 WeakPolarHBondContact ND1-CE2 3.47Å; H26-Y28 AromaticContact ND1-CZ 3.08Å; H26-Y28 PolarHBondContact ND1-OH 3.06Å | ||
| 27 | A | 34.5 | Very low | 38 | Very low | 91 Ų | 91 | 161 Ų | 161 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -85.8 | 116.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 28 | Y | 37.3 | Very low | 37.9 | Very low | 167 Ų | 167 | 159.9 Ų | 159.9 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 115 | 164.5 | -48 | -78.9 | 0 | 0 | 0 | 111.3 | H26 | H26-Y28 VanDerWaalsContact CA-CE2 3.4Å; H26-Y28 HydrophobicContact CB-CD2 4.3Å; H26-Y28 HydrophobicContact CB-CE2 3.42Å; H26-Y28 VanDerWaalsContact CB-CE2 3.42Å; H26-Y28 AromaticContact CE1-CZ 3.96Å; H26-Y28 PolarHBondContact CE1-OH 3.46Å; H26-Y28 VanDerWaalsContact CE1-OH 3.26Å; H26-Y28 AromaticContact CG-CE2 3.49Å; H26-Y28 VanDerWaalsContact CG-CE2 3.49Å; H26-Y28 AromaticContact CG-CZ 3.97Å; H26-Y28 AromaticContact ND1-CE2 2.91Å; H26-Y28 WeakPolarHBondContact ND1-CE2 3.47Å; H26-Y28 AromaticContact ND1-CZ 3.08Å; H26-Y28 PolarHBondContact ND1-OH 3.06Å | ||
| 29 | E | 34 | Very low | 37.6 | Very low | 179 Ų | 179 | 155 Ų | 155 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -17.1 | 139 | 144.9 | -60.7 | 176.3 | 156.5 | 0 | 0 | 117.8 | ||||
| 30 | N | 31.3 | Very low | 37.6 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 26.2 | 113.6 | 133.3 | -72.5 | -22.3 | 0 | 0 | 0 | 118.4 | ||||
| 31 | S | 39.8 | Very low | 37.6 | Very low | 110 Ų | 110 | 156.2 Ų | 156.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | -169.8 | 117.5 | 125.1 | 36.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 32 | V | 38.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | 46.7 | 104.5 | 122.1 | -171 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 33 | S | 37.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 158.6 Ų | 158.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 157.1 | 133.7 | 115.4 | -72.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 34 | R | 40.6 | Very low | 36.7 | Very low | 225 Ų | 225 | 154.7 Ų | 154.7 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | trans | 106.1 | 126.4 | 154.5 | -60.5 | 173.4 | -165 | -173.2 | 6 | 115.1 | ||||
| 35 | K | 39.5 | Very low | 36.1 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | cis | -168.3 | 121.2 | -5.6 | -113.9 | 173.6 | -176.1 | -177.7 | 0 | 105.9 | ||||
| 36 | R | 29.2 | Very low | 36.4 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 26.7 | 117.2 | 140.7 | -52.5 | -171.4 | -163 | -172.2 | 5.6 | 120.3 | ||||
| 37 | Y | 37 | Very low | 36.4 | Very low | 243 Ų | 243 | 160.9 Ų | 160.9 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | -143.6 | 74.5 | 125.9 | -95.3 | -88.8 | 0 | 0 | 0 | 106.1 | |||||
| 38 | R | 37.2 | Very low | 36.4 | Very low | 181 Ų | 181 | 165.9 Ų | 165.9 | 68% | 0.683 | 80% | 0.802 | S | S | * | * | 46.5 | 99.1 | 106.5 | -84 | -155.5 | 167.9 | 153.1 | -5.5 | 114.5 | |||||
| 39 | D | 35.4 | Very low | 36.5 | Very low | 134 Ų | 134 | 167.1 Ų | 167.1 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | 53.9 | 98.3 | 121.9 | -43.4 | -34.4 | 0 | 0 | 0 | 117.8 | |||||
| 40 | V | 42.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 165.7 Ų | 165.7 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -160.1 | 141.6 | 133.9 | -101.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 41 | P | 36.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 164.9 Ų | 164.9 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -102.7 | 161.9 | -156.3 | 38.2 | -31.4 | 0 | 0 | 0 | 116.2 | Q43 | P41-Q43 PolarHBondContact O-N 3.49Š| ||
| 42 | F | 32.8 | Very low | 36.5 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -17 | 94.1 | 159.3 | -168.2 | -99.1 | 0 | 0 | 0 | 117.6 | ||||
| 43 | Q | 34 | Very low | 36.6 | Very low | 184 Ų | 184 | 169.1 Ų | 169.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -165.3 | 96 | 155.2 | -100.2 | 171.5 | 11.8 | 0 | 0 | 104.6 | P41 | P41-Q43 PolarHBondContact O-N 3.49Š| ||
| 44 | S | 36.4 | Very low | 36.5 | Very low | 109 Ų | 109 | 172.7 Ų | 172.7 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | 164.5 | 107.7 | 86.4 | 37.2 | 0 | 0 | 0 | 0 | 104.1 | |||||
| 45 | R | 33.2 | Very low | 36.6 | Very low | 233 Ų | 233 | 172.1 Ų | 172.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | 45.6 | 100.5 | 103.1 | -67.9 | -172.4 | -175.1 | -161.1 | 2 | 112.8 | |||||
| 46 | M | 36.8 | Very low | 36.3 | Very low | 181 Ų | 181 | 171.6 Ų | 171.6 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -46.2 | 150.3 | 155.6 | -59.5 | -73.7 | -176.4 | 0 | 0 | 109.9 | ||||
| 47 | P | 40.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 172.7 Ų | 172.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | -146 | 156.3 | 89.9 | 31.2 | -11.1 | 0 | 0 | 0 | 116 | |||||
| 48 | F | 34.1 | Very low | 36.7 | Very low | 196 Ų | 196 | 167.3 Ų | 167.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 3.9 | 126.2 | 148.8 | -68.2 | -97.4 | 0 | 0 | 0 | 118.5 | ||||
| 49 | E | 38 | Very low | 36.7 | Very low | 193 Ų | 193 | 169.3 Ų | 169.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | -177.1 | 144.2 | 109.6 | -102.6 | 169.3 | 161.9 | 0 | 0 | 110.9 | |||||
| 50 | N | 32.4 | Very low | 36.8 | Very low | 150 Ų | 150 | 172.5 Ų | 172.5 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -71.8 | 139.7 | -176.7 | -55.9 | -62.8 | 0 | 0 | 0 | 110.2 | ||||
| 51 | D | 36.9 | Very low | 36.8 | Very low | 142 Ų | 142 | 172.9 Ų | 172.9 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -171.6 | 122.4 | 132.4 | -99.7 | -28.6 | 0 | 0 | 0 | 113 | ||||
| 52 | L | 36.5 | Very low | 37.1 | Very low | 142 Ų | 142 | 170.8 Ų | 170.8 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | 47.1 | 105.6 | 135.4 | -64.6 | 155.4 | 0 | 0 | 0 | 118.1 | ||||
| 53 | K | 40.8 | Very low | 37.4 | Very low | 189 Ų | 189 | 168.4 Ų | 168.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | 166.5 | 102.5 | 123.8 | -88.2 | 155.3 | -172.1 | 179.2 | 0 | 110.1 | R55 | K53-R55 PolarHBondContact O-N 3.25Å; K53-R55 VanDerWaalsContact O-N 3.13Å | |||
| 54 | D | 35.2 | Very low | 37.8 | Very low | 174 Ų | 174 | 169.4 Ų | 169.4 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 112.5 | 160.8 | -65.1 | -49.5 | 0 | 0 | 0 | 108.4 | ||||
| 55 | R | 42.5 | Very low | 37.8 | Very low | 214 Ų | 214 | 173 Ų | 173 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -112 | 99.1 | 173.5 | -143.7 | -172.1 | -72 | 176.3 | -1.7 | 107.9 | K53 Y57 | K53-R55 PolarHBondContact O-N 3.25Å; K53-R55 VanDerWaalsContact O-N 3.13Å; R55-Y57 PolarHBondContact O-N 3.15Å | ||
| 56 | E | 33.4 | Very low | 37.7 | Very low | 170 Ų | 170 | 172.9 Ų | 172.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -31.9 | 121.1 | 159.8 | -170.8 | 167.2 | -159.1 | 0 | 0 | 111.7 | ||||
| 57 | Y | 37.1 | Very low | 37.8 | Very low | 211 Ų | 211 | 170.7 Ų | 170.7 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -104.6 | 96.7 | 174.8 | -105.4 | -86.7 | 0 | 0 | 0 | 108.9 | R55 | R55-Y57 PolarHBondContact O-N 3.15Š| ||
| 58 | D | 38.5 | Very low | 37.7 | Very low | 131 Ų | 131 | 169.1 Ų | 169.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 118.6 | 164 | -76.4 | -43 | 0 | 0 | 0 | 109.9 | Y60 | D58-Y60 PolarHBondContact O-N 3.38Š| ||
| 59 | Y | 37.6 | Very low | 37.9 | Very low | 222 Ų | 222 | 166.6 Ų | 166.6 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | trans | -89 | 97.2 | 166.1 | -111.8 | -89.4 | 0 | 0 | 0 | 109.3 | ||||
| 60 | Y | 36.8 | Very low | 37.8 | Very low | 202 Ų | 202 | 161.3 Ų | 161.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 128.1 | 161 | -123.2 | -97.7 | 0 | 0 | 0 | 109.3 | D58 | D58-Y60 PolarHBondContact O-N 3.38Š| ||
| 61 | N | 43.7 | Very low | 38.2 | Very low | 154 Ų | 154 | 163.2 Ų | 163.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -127.7 | 101.1 | 159.4 | -159.5 | -1.7 | 0 | 0 | 0 | 108.4 | ||||
| 62 | P | 42.1 | Very low | 38 | Very low | 76 Ų | 76 | 164.7 Ų | 164.7 | 49% | 0.494 | 79% | 0.79 | S | S | . | * | trans | -79.1 | 140 | 179.7 | 33.5 | -29.6 | 0 | 0 | 0 | 108.6 | ||||
| 63 | N | 39.2 | Very low | 38.1 | Very low | 151 Ų | 151 | 165.2 Ų | 165.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 98 | 59.1 | 168.6 | -43.7 | -29 | 0 | 0 | 0 | 117.4 | ||||
| 64 | K | 42.5 | Very low | 38 | Very low | 205 Ų | 205 | 167.9 Ų | 167.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -155.4 | 92.1 | 137.7 | -107.8 | 160.7 | -169 | -173.7 | 0 | 111.3 | ||
| 65 | E | 36.4 | Very low | 37.9 | Very low | 184 Ų | 184 | 171.4 Ų | 171.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 28.3 | 115 | 153.6 | -67.8 | 173.4 | 172.9 | 0 | 0 | 119.5 | V67 | E65-V67 PolarHBondContact O-N 2.73Š| ||
| 66 | Y | 31.1 | Very low | 37.7 | Very low | 232 Ų | 232 | 164.3 Ų | 164.3 | 91% | 0.91 | 78% | 0.781 | S | S | * | * | trans | -52.9 | 118.2 | 168.6 | -98.7 | -107.8 | 0 | 0 | 0 | 112.1 | ||||
| 67 | V | 39.9 | Very low | 38.1 | Very low | 134 Ų | 134 | 166.2 Ų | 166.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -117.5 | 109.9 | 156.2 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | E65 | E65-V67 PolarHBondContact O-N 2.73Š| ||
| 68 | S | 37.3 | Very low | 38.4 | Very low | 80 Ų | 80 | 162.7 Ų | 162.7 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | trans | -58.8 | 132.4 | -176.2 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | S70 | S68-S70 WeakPolarHBondContact CB-OG 3.38Å; S68-S70 PolarHBondContact O-N 2.7Å | ||
| 69 | P | 39.2 | Very low | 38.6 | Very low | 143 Ų | 143 | 161.6 Ų | 161.6 | 93% | 0.929 | 77% | 0.771 | S | S | * | * | trans | -72.7 | 64.1 | 165.1 | -18.4 | 33.2 | 0 | 0 | 0 | 111.4 | ||||
| 70 | S | 34.8 | Very low | 38.7 | Very low | 82 Ų | 82 | 157.9 Ų | 157.9 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | trans | -128.6 | 71.9 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 110 | S68 | S68-S70 WeakPolarHBondContact CB-OG 3.38Å; S68-S70 PolarHBondContact O-N 2.7Å | ||
| 71 | K | 40.3 | Very low | 39 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 172.7 | 133.4 | 145 | -94.8 | 152.3 | -170.2 | -175.6 | 0 | 109 | ||
| 72 | E | 34.2 | Very low | 39.1 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 75.4 | 124.7 | 155.1 | -65.2 | 172.5 | 171.9 | 0 | 0 | 116.3 | ||||
| 73 | L | 37.3 | Very low | 39 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | cis | -139.7 | 137 | 11.6 | -80.3 | 102.7 | 0 | 0 | 0 | 109.5 | R75 | L73-R75 PolarHBondContact O-N 2.84Š| ||
| 74 | R | 38.2 | Very low | 39.2 | Very low | 244 Ų | 244 | 162 Ų | 162 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -23.6 | 94.7 | 157.9 | -63.1 | 176.9 | 171.4 | 178.6 | -3.2 | 112 | S76 | R74-S76 PolarHBondContact O-N 2.67Š| ||
| 75 | R | 33.8 | Very low | 39 | Very low | 248 Ų | 248 | 160.9 Ų | 160.9 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | -75.2 | 86.2 | 162.8 | -125.7 | 170.9 | 176.5 | 179.4 | -1.9 | 105.8 | L73 K77 | L73-R75 PolarHBondContact O-N 2.84Å; R75-K77 PolarHBondContact O-N 2.66Å | ||
| 76 | S | 37.6 | Very low | 39.2 | Very low | 66 Ų | 66 | 157.7 Ų | 157.7 | 46% | 0.462 | 75% | 0.747 | S | S | . | * | trans | -49.3 | 128.1 | 174.9 | 36.9 | 0 | 0 | 0 | 0 | 108.6 | R74 H78 D79 | R74-S76 PolarHBondContact O-N 2.67Å; S76-H78 PolarHBondContact O-N 2.59Å; S76-D79 PolarHBondContact O-N 2.71Å | ||
| 77 | K | 43.7 | Very low | 40.1 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 5.4 | 174.4 | -135.4 | 173.4 | -179.5 | 178 | 0 | 114 | R75 | R75-K77 PolarHBondContact O-N 2.66Š|
| 78 | H | 42.1 | Very low | 40.5 | Very low | 136 Ų | 136 | 156.4 Ų | 156.4 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -14.1 | -172.7 | -117.3 | -62.7 | 0 | 0 | 0 | 114.7 | S76 M80 E81 | S76-H78 PolarHBondContact O-N 2.59Å; H78-M80 VanDerWaalsContact C-N 3.34Å; H78-E81 IonicContact CE1-OE2 3.91Å; H78-E81 IonicContact ND1-OE2 2.95Å |
| 79 | D | 42.9 | Very low | 40.8 | Very low | 109 Ų | 109 | 163.3 Ų | 163.3 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -4 | 180 | -80.2 | -52.7 | 0 | 0 | 0 | 114.3 | S76 E81 | S76-D79 PolarHBondContact O-N 2.71Å; D79-E81 VanDerWaalsContact C-N 3.28Å |
| 80 | M | 40.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -3.8 | 169 | -96.2 | -94.1 | 62.5 | 0 | 0 | 113.4 | H78 | H78-M80 VanDerWaalsContact C-N 3.34Š|
| 81 | E | 43 | Very low | 41.3 | Very low | 105 Ų | 105 | 168 Ų | 168 | 49% | 0.491 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -97.6 | -13.9 | -178.1 | -68.7 | -163.4 | 138.4 | 0 | 0 | 114.5 | H78 D79 | H78-E81 IonicContact CE1-OE2 3.91Å; H78-E81 IonicContact ND1-OE2 2.95Å; D79-E81 VanDerWaalsContact C-N 3.28Å |
| 82 | K | 45.6 | Very low | 41.4 | Very low | 184 Ų | 184 | 164.1 Ų | 164.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -6.3 | -177.7 | -95.7 | -177.5 | -179.8 | 178 | 0 | 116.1 | ||
| 83 | F | 39.9 | Very low | 42.3 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 16.3 | 172.9 | -76.6 | -79.4 | 0 | 0 | 0 | 113.4 | ||
| 84 | R | 43.1 | Very low | 42.8 | Very low | 192 Ų | 192 | 161.1 Ų | 161.1 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96 | 8.5 | -175.9 | -77.1 | -174.8 | 163.6 | -179.3 | -5.4 | 115.9 | ||
| 85 | Q | 39 | Very low | 43.2 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -141.6 | 49.5 | -173.1 | -64.6 | -173.2 | 10.3 | 0 | 0 | 114.8 | P87 | Q85-P87 WeakPolarHBondContact O-CD 3.38Š| ||
| 86 | D | 40.7 | Very low | 43.7 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | trans | -113.9 | 93.4 | 164.7 | -136.9 | -29.4 | 0 | 0 | 0 | 111.1 | R88 Y89 | D86-R88 PolarHBondContact O-N 3.08Å; D86-Y89 PolarHBondContact O-N 3.22Å | ||
| 87 | P | 49.9 | Very low | 44.5 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -7.5 | -175.7 | -19.5 | 31.3 | 0 | 0 | 0 | 114.1 | Q85 | Q85-P87 WeakPolarHBondContact O-CD 3.38Š|
| 88 | R | 46.7 | Very low | 45 | Very low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -4.4 | -176 | -60.9 | -173.1 | -125.8 | -171.5 | 0.2 | 114 | D86 | D86-R88 PolarHBondContact O-N 3.08Š|
| 89 | Y | 45 | Very low | 45.3 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -109.9 | 7.9 | 170.6 | -127.2 | -97 | 0 | 0 | 0 | 113.1 | D86 R91 | D86-Y89 PolarHBondContact O-N 3.22Å; Y89-R91 VanDerWaalsContact C-N 3.28Å; Y89-R91 PolarHBondContact O-N 3.32Å |
| 90 | S | 40.7 | Very low | 45.8 | Very low | 89 Ų | 89 | 148.7 Ų | 148.7 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | -77.9 | 73.9 | 173.9 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | R | 43.5 | Very low | 46 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -104.2 | 89.4 | 162 | -156.7 | 175.5 | -153.2 | 166 | 7.8 | 107.7 | Y89 S93 | Y89-R91 VanDerWaalsContact C-N 3.28Å; Y89-R91 PolarHBondContact O-N 3.32Å; R91-S93 PolarHBondContact O-N 2.8Å | ||
| 92 | D | 42.9 | Very low | 46.3 | Very low | 106 Ų | 106 | 157.5 Ų | 157.5 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | trans | -13.7 | 95.4 | 172.4 | -79.6 | -66.7 | 0 | 0 | 0 | 114.8 | N94 T95 | D92-N94 PolarHBondContact O-N 3.14Å; D92-T95 WeakPolarHBondContact CB-OG1 3.34Å; D92-T95 PolarHBondContact O-N 2.81Å | ||
| 93 | S | 51.4 | Low | 46.6 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 2.3 | 163.6 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | R91 | R91-S93 PolarHBondContact O-N 2.8Š|
| 94 | N | 47.7 | Very low | 47 | Very low | 149 Ų | 149 | 154 Ų | 154 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 4.4 | 175.8 | -67.5 | -36.3 | 0 | 0 | 0 | 114.2 | D92 S96 | D92-N94 PolarHBondContact O-N 3.14Å; N94-S96 PolarHBondContact O-N 2.64Å |
| 95 | T | 47.7 | Very low | 47.4 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 52% | 0.521 | 76% | 0.759 | S | S | . | * | S | Bend | trans | -77.7 | 105.7 | 160.2 | -66.7 | 0 | 0 | 0 | 0 | 106.5 | D92 | D92-T95 WeakPolarHBondContact CB-OG1 3.34Å; D92-T95 PolarHBondContact O-N 2.81Å |
| 96 | S | 43.8 | Very low | 48 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -35.8 | 128.5 | 168.7 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | N94 V98 | N94-S96 PolarHBondContact O-N 2.64Å; S96-V98 VanDerWaalsContact C-N 3.34Å; S96-V98 PolarHBondContact O-N 3.07Å | ||
| 97 | P | 55.8 | Low | 48.5 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -52.4 | 108.4 | -177.3 | 20.9 | -30.3 | 0 | 0 | 0 | 105.6 | P99 | P97-P99 WeakPolarHBondContact O-CD 3.12Š| ||
| 98 | V | 52.4 | Low | 48.6 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -44.4 | 115 | 174.1 | -96.9 | 0 | 0 | 0 | 0 | 102.8 | S96 R100 | S96-V98 VanDerWaalsContact C-N 3.34Å; S96-V98 PolarHBondContact O-N 3.07Å; V98-R100 VanDerWaalsContact C-N 3.25Å; V98-R100 PolarHBondContact O-N 3.49Å | ||
| 99 | P | 48.4 | Very low | 49 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 110.2 | -173.3 | 18.2 | -27.6 | 0 | 0 | 0 | 101.8 | P97 K101 | P97-P99 WeakPolarHBondContact O-CD 3.12Å; P99-K101 PolarHBondContact O-N 3.21Å | ||
| 100 | R | 53.2 | Low | 49.6 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | -51.9 | 107.7 | 169.6 | -82.7 | -176.2 | 161.8 | -170.7 | -5.4 | 99.7 | V98 R102 | V98-R100 VanDerWaalsContact C-N 3.25Å; V98-R100 PolarHBondContact O-N 3.49Å; R100-R102 PolarHBondContact O-N 3.11Å | ||
| 101 | K | 45.4 | Very low | 50.5 | Low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -52.8 | 95.9 | 167.9 | -93.7 | -177.8 | 174.8 | 177 | 0 | 100 | P99 S103 | P99-K101 PolarHBondContact O-N 3.21Å; K101-S103 PolarHBondContact O-N 3.49Å | ||
| 102 | R | 49.4 | Very low | 51.7 | Low | 235 Ų | 235 | 138.8 Ų | 138.8 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | -55.5 | 102.4 | 165.5 | -85.8 | -178.1 | 167.7 | 172.3 | -4 | 98.9 | R100 K104 | R100-R102 PolarHBondContact O-N 3.11Å; R102-K104 PolarHBondContact O-N 2.96Å | ||
| 103 | S | 51.6 | Low | 53.2 | Low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -44.8 | 114.7 | -175.8 | 39.9 | 0 | 0 | 0 | 0 | 103.8 | K101 M105 | K101-S103 PolarHBondContact O-N 3.49Å; S103-M105 PolarHBondContact O-N 3.26Å | ||
| 104 | K | 49 | Very low | 54.6 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -73.9 | 48.7 | -171.8 | -160.3 | 179.3 | -174.7 | -179.2 | 0 | 108.2 | R102 | R102-K104 PolarHBondContact O-N 2.96Š|
| 105 | M | 51.1 | Low | 56.4 | Low | 164 Ų | 164 | 135.5 Ų | 135.5 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | trans | -124.1 | 9.8 | -160.7 | -114.1 | -153.3 | 160.4 | 0 | 0 | 112.8 | S103 | S103-M105 PolarHBondContact O-N 3.26Š| ||
| 106 | D | 52.2 | Low | 58.3 | Low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -134.6 | 19.3 | -178 | -151 | 17.7 | 0 | 0 | 0 | 114.4 | ||
| 107 | S | 51.6 | Low | 60.6 | Low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -124.1 | 12.4 | 174.9 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 108 | R | 50.6 | Low | 62.3 | Low | 227 Ų | 227 | 131.8 Ų | 131.8 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -109.3 | -5.5 | -177 | -162.5 | 170.5 | -179 | 170.5 | 1.5 | 114.1 | ||
| 109 | V | 55.7 | Low | 64.3 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -107.3 | -10.4 | -173.5 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | Y196 | V109-Y196 HydrophobicContact CG1-CD1 3.91Å; V109-Y196 HydrophobicContact CG1-CE1 4.29Å; V109-Y196 HydrophobicContact CG1-CG 4.48Å |
| 110 | E | 56.6 | Low | 66.5 | Low | 159 Ų | 159 | 120.8 Ų | 120.8 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -95.9 | -6.1 | -171.4 | -65.9 | -167.9 | 147.1 | 0 | 0 | 116.1 | ||
| 111 | S | 60.4 | Low | 68.4 | Low | 113 Ų | 113 | 109.8 Ų | 109.8 | 79% | 0.79 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -96.4 | -4.9 | -170.6 | 37.8 | 0 | 0 | 0 | 0 | 116 | ||
| 112 | S | 68 | Low | 70.7 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -123.9 | 136.7 | 172.6 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 113 | P | 75.1 | Confident | 72.8 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 139.3 | 173.3 | 25 | -33.7 | 0 | 0 | 0 | 109.4 | K115 | P113-K115 PolarHBondContact O-N 3.43Š|
| 114 | P | 80.4 | Confident | 74.7 | Confident | 17 Ų | 17 | 88.8 Ų | 88.8 | 11% | 0.11 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -57 | 137.5 | -179.2 | 23.5 | -33.6 | 0 | 0 | 0 | 109.5 | Y194 Y196 | P114-Y194 WeakPolarHBondContact CB-O 3.31Å; P114-Y194 VanDerWaalsContact CG-O 3.3Å; P114-Y194 WeakPolarHBondContact CG-O 3.44Å; P114-Y194 WeakPolarHBondContact O-CD2 3.35Å; P114-Y196 HydrophobicContact CB-CD1 4.06Å; P114-Y196 HydrophobicContact CB-CE1 4.04Å; P114-Y196 HydrophobicContact CG-CE1 4.47Å |
| 115 | K | 85.7 | Confident | 76.8 | Confident | 177 Ų | 177 | 79.5 Ų | 79.5 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 145.3 | 178.9 | -66.7 | -179.5 | -178.7 | 179.6 | 0 | 109.5 | P113 S117 Y194 | P113-K115 PolarHBondContact O-N 3.43Å; K115-S117 PolarHBondContact O-N 3.31Å; K115-S117 VanDerWaalsContact O-N 3.15Å; K115-Y194 WeakPolarHBondContact O-CB 2.98Å |
| 116 | P | 88.7 | Confident | 78.8 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 122.4 | 173.9 | 26.2 | -33.3 | 0 | 0 | 0 | 109.7 | Y194 | P116-Y194 VanDerWaalsContact CA-CD2 3.49Å; P116-Y194 HydrophobicContact CB-CD2 4.27Å; P116-Y194 HydrophobicContact CB-CE1 4.33Å; P116-Y194 HydrophobicContact CB-CE2 3.77Å |
| 117 | S | 90.8 | Very high | 80.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | trans | -133.8 | 160.8 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | K115 V119 A172 Y194 | K115-S117 PolarHBondContact O-N 3.31Å; K115-S117 VanDerWaalsContact O-N 3.15Å; S117-V119 PolarHBondContact O-N 3.32Å; S117-V119 PolarHBondContact OG-N 3.42Å; S117-A172 WeakPolarHBondContact O-CB 3.36Å; S117-Y194 WeakPolarHBondContact O-CD1 3.49Å | ||
| 118 | R | 92.9 | Very high | 82.6 | Confident | 113 Ų | 113 | 76.9 Ų | 76.9 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -67.2 | -12.3 | 171.8 | 67.9 | 170.4 | 67.4 | 95.5 | -2 | 113.2 | F166 I169 | R118-F166 WeakPolarHBondContact CB-O 3.4Å; R118-F166 PolarHBondContact O-N 3.21Å; R118-I169 HydrophobicContact CB-CG1 4.08Å |
| 119 | V | 93.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.5 | -177.2 | -169 | 0 | 0 | 0 | 0 | 110.2 | S117 F163 I164 Y165 S195 E198 | S117-V119 PolarHBondContact O-N 3.32Å; S117-V119 PolarHBondContact OG-N 3.42Å; V119-F163 HydrophobicContact CG1-CB 4.29Å; V119-F163 HydrophobicContact CG1-CD1 4.32Å; V119-I164 WeakPolarHBondContact CA-O 3.41Å; V119-Y165 HydrophobicContact CB-CD1 4.47Å; V119-Y165 HydrophobicContact CB-CE1 4.4Å; V119-Y165 HydrophobicContact CG1-CD1 4.22Å; V119-Y165 HydrophobicContact CG1-CE1 3.93Å; V119-Y165 HydrophobicContact CG1-CE2 4.48Å; V119-Y165 HydrophobicContact CG2-CD1 3.53Å; V119-Y165 HydrophobicContact CG2-CE1 3.52Å; V119-Y165 HydrophobicContact CG2-CG 4.46Å; V119-S195 PolarHBondContact O-N 3.49Å; V119-E198 WeakPolarHBondContact CG2-O 3.45Å |
| 120 | L | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.6 | 171.4 | -61.2 | -173.3 | 0 | 0 | 0 | 110.6 | F163 I164 F166 A172 A175 R176 I192 D193 Y194 | L120-F163 CarbonylContact O-C 3.55Å; L120-F163 WeakPolarHBondContact O-CA 3.36Å; L120-I164 PolarHBondContact N-O 2.92Å; L120-I164 PolarHBondContact O-N 3.45Å; L120-F166 HydrophobicContact CD1-CD2 4.27Å; L120-F166 HydrophobicContact CD1-CE2 3.64Å; L120-F166 HydrophobicContact CD1-CZ 4.5Å; L120-F166 HydrophobicContact CG-CD2 4.26Å; L120-F166 HydrophobicContact CG-CE2 4.04Å; L120-A172 HydrophobicContact CD1-CB 4.42Å; L120-A172 WeakPolarHBondContact CD1-O 3.5Å; L120-A172 HydrophobicContact CD2-CB 4.14Å; L120-A172 HydrophobicContact CG-CB 4.08Å; L120-A175 HydrophobicContact CD1-CB 3.76Å; L120-R176 HydrophobicContact CD1-CB 4.47Å; L120-R176 HydrophobicContact CD2-CB 4.22Å; L120-I192 HydrophobicContact CB-CG2 4.18Å; L120-I192 HydrophobicContact CD1-CG2 3.8Å; L120-I192 HydrophobicContact CG-CG2 4.44Å; L120-D193 CarbonylContact C-O 3.57Å; L120-D193 WeakPolarHBondContact CA-O 3.45Å; L120-Y194 HydrophobicContact CD2-CD1 3.47Å; L120-Y194 VanDerWaalsContact CD2-CD1 3.47Å; L120-Y194 HydrophobicContact CD2-CE1 3.8Å; L120-Y194 HydrophobicContact CD2-CG 4.45Å |
| 121 | G | 93.5 | Very high | 88 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F123 A162 I192 D193 | G121-F123 WeakPolarHBondContact O-CD2 3.24Å; G121-F123 WeakPolarHBondContact O-CE2 3.35Å; G121-A162 WeakPolarHBondContact CA-O 3.29Å; G121-I192 WeakPolarHBondContact O-CA 3.49Å; G121-D193 PolarHBondContact N-O 2.92Å; G121-D193 PolarHBondContact O-N 3.43Å |
| 122 | A | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L125 F161 A162 I164 V190 R191 I192 | A122-L125 HydrophobicContact CB-CD1 4.3Å; A122-L125 HydrophobicContact CB-CD2 4.22Å; A122-L125 HydrophobicContact CB-CG 4.42Å; A122-F161 CarbonylContact O-C 3.55Å; A122-F161 WeakPolarHBondContact O-CA 3.39Å; A122-F161 WeakPolarHBondContact O-CB 3.37Å; A122-A162 PolarHBondContact N-O 2.91Å; A122-A162 PolarHBondContact O-N 3.14Å; A122-I164 HydrophobicContact CB-CD1 4.3Å; A122-V190 HydrophobicContact CB-CG1 4.04Å; A122-R191 CarbonylContact C-O 3.57Å; A122-R191 WeakPolarHBondContact CA-O 3.38Å; A122-I192 HydrophobicContact CB-CG1 4.32Å |
| 123 | F | 93 | Very high | 90.8 | Very high | 55 Ų | 55 | 67.5 Ų | 67.5 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.1 | -175.7 | -57.4 | -81.8 | 0 | 0 | 0 | 111.1 | G121 F161 V190 R191 D193 | G121-F123 WeakPolarHBondContact O-CD2 3.24Å; G121-F123 WeakPolarHBondContact O-CE2 3.35Å; F123-F161 HydrophobicContact CD1-CB 3.98Å; F123-F161 HydrophobicContact CE1-CB 4.47Å; F123-V190 WeakPolarHBondContact O-CA 3.43Å; F123-V190 WeakPolarHBondContact O-CG1 3.47Å; F123-R191 HydrophobicContact CB-CB 4.39Å; F123-R191 PolarHBondContact N-O 2.9Å; F123-R191 PolarHBondContact O-N 3.25Å; F123-D193 HydrophobicContact CE2-CB 4.29Å |
| 124 | G | 92.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 88.7 | 15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G160 R188 | G124-G160 PolarHBondContact N-O 3.25Å; G124-R188 PolarHBondContact O-NE 2.86Å |
| 125 | L | 93.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -58.9 | 147.9 | 176.9 | -58.5 | 177 | 0 | 0 | 0 | 111.4 | A122 T129 L134 G160 A162 L185 V190 | A122-L125 HydrophobicContact CB-CD1 4.3Å; A122-L125 HydrophobicContact CB-CD2 4.22Å; A122-L125 HydrophobicContact CB-CG 4.42Å; L125-T129 HydrophobicContact CD2-CG2 4.41Å; L125-L134 HydrophobicContact CD1-CD1 3.87Å; L125-L134 HydrophobicContact CD1-CD2 4.36Å; L125-L134 HydrophobicContact CD2-CD2 3.77Å; L125-G160 PolarHBondContact N-O 2.89Å; L125-A162 HydrophobicContact CD1-CB 3.62Å; L125-L185 HydrophobicContact CD2-CD2 4.33Å; L125-V190 HydrophobicContact CD2-CB 4.22Å; L125-V190 HydrophobicContact CD2-CG1 3.47Å; L125-V190 VanDerWaalsContact CD2-CG1 3.47Å; L125-V190 HydrophobicContact CD2-CG2 3.66Å; L125-V190 HydrophobicContact CG-CG1 4.36Å | ||
| 126 | S | 93.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | trans | -66.9 | 148.9 | 170.6 | -173 | 0 | 0 | 0 | 0 | 110.1 | R128 T129 | S126-R128 PolarHBondContact O-N 3.48Å; S126-R128 VanDerWaalsContact O-N 3.14Å; S126-R128 PolarHBondContact OG-N 3.27Å; S126-T129 PolarHBondContact N-OG1 3.13Å; S126-T129 VanDerWaalsContact O-CB 3.31Å; S126-T129 WeakPolarHBondContact O-CB 3.49Å; S126-T129 PolarHBondContact O-N 2.69Å; S126-T129 PolarHBondContact O-OG1 3.37Å | ||
| 127 | M | 91.2 | Very high | 92.8 | Very high | 119 Ų | 119 | 60.4 Ų | 60.4 | 59% | 0.586 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.2 | 173.9 | -58.7 | -175.8 | 78.3 | 0 | 0 | 112.3 | R157 | M127-R157 HydrophobicContact CE-CB 3.8Å; M127-R157 HydrophobicContact CE-CG 4.38Å |
| 128 | R | 90.8 | Very high | 92.9 | Very high | 203 Ų | 203 | 59.8 Ų | 59.8 | 77% | 0.766 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.5 | 174.9 | -59.7 | 179.2 | 68.2 | 168.4 | 1.4 | 113.3 | S126 E130 | S126-R128 PolarHBondContact O-N 3.48Å; S126-R128 VanDerWaalsContact O-N 3.14Å; S126-R128 PolarHBondContact OG-N 3.27Å; R128-E130 PolarHBondContact O-N 3.48Å |
| 129 | T | 91.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -72.3 | 126.1 | -179.9 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | L125 S126 H133 L134 L149 L185 H186 | L125-T129 HydrophobicContact CD2-CG2 4.41Å; S126-T129 PolarHBondContact N-OG1 3.13Å; S126-T129 VanDerWaalsContact O-CB 3.31Å; S126-T129 WeakPolarHBondContact O-CB 3.49Å; S126-T129 PolarHBondContact O-N 2.69Å; S126-T129 PolarHBondContact O-OG1 3.37Å; T129-H133 HydrophobicContact CG2-CB 4.35Å; T129-L134 HydrophobicContact CG2-CD2 4.26Å; T129-L134 HydrophobicContact CG2-CG 4.07Å; T129-L149 VanDerWaalsContact O-CD1 3.28Å; T129-L149 WeakPolarHBondContact O-CD1 3.39Å; T129-L185 HydrophobicContact CG2-CD2 3.51Å; T129-L185 HydrophobicContact CG2-CG 4.45Å; T129-H186 PolarHBondContact OG1-CD2 2.78Å; T129-H186 VanDerWaalsContact OG1-CD2 3.25Å | ||
| 130 | E | 92 | Very high | 92.9 | Very high | 113 Ų | 113 | 66.7 Ų | 66.7 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | trans | -102.9 | 169.3 | 171.5 | -64.3 | -176.6 | -179.3 | 0 | 0 | 111.5 | R128 R132 H133 | R128-E130 PolarHBondContact O-N 3.48Å; E130-R132 PolarHBondContact O-N 3Å; E130-H133 PolarHBondContact O-N 3.33Å | ||
| 131 | E | 93.6 | Very high | 92.8 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.1 | -39.5 | 176.6 | -163.2 | -174.2 | 154 | 0 | 0 | 112.8 | H133 L134 Y135 I147 | E131-H133 PolarHBondContact O-N 2.97Å; E131-L134 WeakPolarHBondContact O-CB 3.49Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-L134 VanDerWaalsContact O-N 3.13Å; E131-Y135 PolarHBondContact O-N 3.02Å; E131-I147 VanDerWaalsContact CD-O 3.25Å; E131-I147 HydrophobicContact CG-CB 3.48Å; E131-I147 VanDerWaalsContact CG-CB 3.48Å; E131-I147 HydrophobicContact CG-CD1 4.27Å; E131-I147 HydrophobicContact CG-CG1 4.4Å; E131-I147 HydrophobicContact CG-CG2 3.63Å |
| 132 | R | 93.9 | Very high | 92.8 | Very high | 185 Ų | 185 | 70.2 Ų | 70.2 | 70% | 0.698 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.6 | -45.9 | -179 | -63.3 | 179.6 | 179.7 | -174.4 | 0.5 | 112.3 | E130 L134 Y135 D136 | E130-R132 PolarHBondContact O-N 3Å; R132-L134 VanDerWaalsContact C-N 3.29Å; R132-L134 PolarHBondContact O-N 3.5Å; R132-Y135 WeakPolarHBondContact O-CB 3.44Å; R132-Y135 PolarHBondContact O-N 2.98Å; R132-Y135 VanDerWaalsContact O-N 3.14Å; R132-D136 VanDerWaalsContact O-CG 3.31Å; R132-D136 PolarHBondContact O-N 2.82Å |
| 133 | H | 92.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 75.7 Ų | 75.7 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 179 | -61.5 | -44.6 | 0 | 0 | 0 | 112.3 | T129 E130 E131 I137 H186 | T129-H133 HydrophobicContact CG2-CB 4.35Å; E130-H133 PolarHBondContact O-N 3.33Å; E131-H133 PolarHBondContact O-N 2.97Å; H133-I137 WeakPolarHBondContact O-CD1 3.49Å; H133-I137 WeakPolarHBondContact O-CG1 3.19Å; H133-I137 PolarHBondContact O-N 3.01Å; H133-H186 AromaticContact CD2-NE2 3.64Å |
| 134 | L | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.7 | -41 | 175 | -65.5 | 174.2 | 0 | 0 | 0 | 111.2 | L125 T129 E131 R132 I137 M138 I147 A162 L185 | L125-L134 HydrophobicContact CD1-CD1 3.87Å; L125-L134 HydrophobicContact CD1-CD2 4.36Å; L125-L134 HydrophobicContact CD2-CD2 3.77Å; T129-L134 HydrophobicContact CG2-CD2 4.26Å; T129-L134 HydrophobicContact CG2-CG 4.07Å; E131-L134 WeakPolarHBondContact O-CB 3.49Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-L134 VanDerWaalsContact O-N 3.13Å; R132-L134 VanDerWaalsContact C-N 3.29Å; R132-L134 PolarHBondContact O-N 3.5Å; L134-I137 PolarHBondContact O-N 3.3Å; L134-M138 WeakPolarHBondContact O-CB 3.39Å; L134-M138 WeakPolarHBondContact O-CG 3.46Å; L134-M138 PolarHBondContact O-N 3.11Å; L134-I147 HydrophobicContact CB-CD1 4.16Å; L134-I147 HydrophobicContact CB-CG2 4.43Å; L134-I147 HydrophobicContact CD1-CG2 4.11Å; L134-A162 HydrophobicContact CD1-CB 3.51Å; L134-L185 HydrophobicContact CD2-CD2 4.03Å |
| 135 | Y | 94.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 79.2 Ų | 79.2 | 38% | 0.384 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 178 | -175.2 | -97.3 | 0 | 0 | 0 | 111.8 | E131 R132 I137 M138 K139 I144 I147 | E131-Y135 PolarHBondContact O-N 3.02Å; R132-Y135 WeakPolarHBondContact O-CB 3.44Å; R132-Y135 PolarHBondContact O-N 2.98Å; R132-Y135 VanDerWaalsContact O-N 3.14Å; Y135-I137 VanDerWaalsContact C-N 3.27Å; Y135-I137 PolarHBondContact O-N 3.08Å; Y135-M138 PolarHBondContact O-N 3.13Å; Y135-K139 HydrophobicContact CE1-CD 3.83Å; Y135-K139 WeakPolarHBondContact O-CB 3.3Å; Y135-K139 PolarHBondContact O-N 2.77Å; Y135-I144 HydrophobicContact CD2-CB 4.26Å; Y135-I144 HydrophobicContact CD2-CD1 3.69Å; Y135-I144 HydrophobicContact CD2-CG2 4.35Å; Y135-I144 HydrophobicContact CE2-CB 4.07Å; Y135-I144 HydrophobicContact CE2-CD1 4.08Å; Y135-I144 HydrophobicContact CG-CD1 4.36Å; Y135-I147 HydrophobicContact CD2-CD1 4.05Å; Y135-I147 HydrophobicContact CG-CD1 4.39Å |
| 136 | D | 93.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 82.7 Ų | 82.7 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | -177.9 | -65.3 | -27.8 | 0 | 0 | 0 | 112.2 | R132 | R132-D136 VanDerWaalsContact O-CG 3.31Å; R132-D136 PolarHBondContact O-N 2.82Å |
| 137 | I | 92.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 82 Ų | 82 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.3 | -40.6 | -179.5 | -65.4 | 170.1 | 0 | 0 | 0 | 111.6 | H133 L134 Y135 K140 L183 L185 | H133-I137 WeakPolarHBondContact O-CD1 3.49Å; H133-I137 WeakPolarHBondContact O-CG1 3.19Å; H133-I137 PolarHBondContact O-N 3.01Å; L134-I137 PolarHBondContact O-N 3.3Å; Y135-I137 VanDerWaalsContact C-N 3.27Å; Y135-I137 PolarHBondContact O-N 3.08Å; I137-K140 WeakPolarHBondContact O-CD 3.47Å; I137-K140 WeakPolarHBondContact O-CE 3.45Å; I137-K140 WeakPolarHBondContact O-CG 3.41Å; I137-L183 HydrophobicContact CD1-CD2 4.2Å; I137-L183 HydrophobicContact CG2-CD1 3.53Å; I137-L183 HydrophobicContact CG2-CD2 3.72Å; I137-L183 HydrophobicContact CG2-CG 4.25Å; I137-L185 HydrophobicContact CD1-CD1 3.66Å; I137-L185 HydrophobicContact CD1-CD2 4.36Å |
| 138 | M | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -82.8 | -26.7 | -171.9 | -67.4 | -71.8 | 179.1 | 0 | 0 | 112.6 | L134 Y135 K140 Y141 I144 I164 F166 L183 I192 | L134-M138 WeakPolarHBondContact O-CB 3.39Å; L134-M138 WeakPolarHBondContact O-CG 3.46Å; L134-M138 PolarHBondContact O-N 3.11Å; Y135-M138 PolarHBondContact O-N 3.13Å; M138-K140 PolarHBondContact O-N 3.48Å; M138-K140 VanDerWaalsContact O-N 3.13Å; M138-Y141 PolarHBondContact O-N 3.46Å; M138-Y141 HydrophobicContact SD-CD2 4.34Å; M138-I144 HydrophobicContact CB-CD1 3.64Å; M138-I164 HydrophobicContact CE-CD1 3.66Å; M138-I164 HydrophobicContact CG-CD1 3.77Å; M138-I164 HydrophobicContact SD-CD1 4.01Å; M138-F166 HydrophobicContact CB-CZ 4.22Å; M138-L183 HydrophobicContact CE-CD2 4.12Å; M138-I192 HydrophobicContact CE-CD1 3.29Å; M138-I192 HydrophobicContact CE-CG1 3.97Å |
| 139 | K | 93.8 | Very high | 93.3 | Very high | 124 Ų | 124 | 71.4 Ų | 71.4 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58.3 | -28.7 | -179.1 | -179.7 | -177.8 | 178.8 | -173.5 | 0 | 112.5 | Y135 Y141 G142 I144 | Y135-K139 HydrophobicContact CE1-CD 3.83Å; Y135-K139 WeakPolarHBondContact O-CB 3.3Å; Y135-K139 PolarHBondContact O-N 2.77Å; K139-Y141 PolarHBondContact O-N 2.78Å; K139-G142 PolarHBondContact O-N 3.26Å; K139-I144 HydrophobicContact CB-CD1 4.24Å |
| 140 | K | 92.9 | Very high | 93.3 | Very high | 133 Ų | 133 | 73 Ų | 73 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.4 | -19.5 | 177.7 | 76.8 | -161.9 | 178.4 | -176.9 | 0 | 114.1 | I137 M138 | I137-K140 WeakPolarHBondContact O-CD 3.47Å; I137-K140 WeakPolarHBondContact O-CE 3.45Å; I137-K140 WeakPolarHBondContact O-CG 3.41Å; M138-K140 PolarHBondContact O-N 3.48Å; M138-K140 VanDerWaalsContact O-N 3.13Å |
| 141 | Y | 92.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 72.6 Ų | 72.6 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -96.6 | -14.3 | 179.9 | -56.3 | -64.1 | 0 | 0 | 0 | 113.2 | M138 K139 A175 A178 | M138-Y141 PolarHBondContact O-N 3.46Å; M138-Y141 HydrophobicContact SD-CD2 4.34Å; K139-Y141 PolarHBondContact O-N 2.78Å; Y141-A175 HydrophobicContact CD2-CB 3.77Å; Y141-A175 HydrophobicContact CG-CB 3.79Å; Y141-A178 HydrophobicContact CD1-CB 4.01Å; Y141-A178 HydrophobicContact CE1-CB 3.23Å |
| 142 | G | 93 | Very high | 93.1 | Very high | 19 Ų | 19 | 71 Ų | 71 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 159 | -178.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K139 I144 | K139-G142 PolarHBondContact O-N 3.26Å; G142-I144 PolarHBondContact O-N 2.84Å |
| 143 | E | 95.2 | Very high | 92.6 | Very high | 115 Ų | 115 | 69.2 Ų | 69.2 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | trans | -72.5 | 123.9 | 179.4 | -63.4 | -176.6 | 175.8 | 0 | 0 | 111.7 | R167 | E143-R167 HydrophobicContact CB-CB 4.23Å; E143-R167 PolarHBondContact O-N 3.09Å; E143-R167 VanDerWaalsContact O-N 3.07Å; E143-R167 WeakPolarHBondContact OE2-CD 3.1Å; E143-R167 IonicContact OE2-CZ 3.73Å; E143-R167 IonicContact OE2-NE 3.86Å; E143-R167 IonicContact OE2-NH1 2.8Å; E143-R167 PolarHBondContact OE2-NH1 3.42Å | ||
| 144 | I | 95.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129 | 178.3 | -57.3 | 170 | 0 | 0 | 0 | 108.5 | Y135 M138 K139 G142 I147 I164 F166 | Y135-I144 HydrophobicContact CD2-CB 4.26Å; Y135-I144 HydrophobicContact CD2-CD1 3.69Å; Y135-I144 HydrophobicContact CD2-CG2 4.35Å; Y135-I144 HydrophobicContact CE2-CB 4.07Å; Y135-I144 HydrophobicContact CE2-CD1 4.08Å; Y135-I144 HydrophobicContact CG-CD1 4.36Å; M138-I144 HydrophobicContact CB-CD1 3.64Å; K139-I144 HydrophobicContact CB-CD1 4.24Å; G142-I144 PolarHBondContact O-N 2.84Å; I144-I147 HydrophobicContact CD1-CD1 4.3Å; I144-I147 HydrophobicContact CG2-CD1 4.14Å; I144-I147 HydrophobicContact CG2-CG1 3.65Å; I144-I164 HydrophobicContact CG2-CG2 4.18Å; I144-F166 HydrophobicContact CG1-CD1 4.33Å; I144-F166 HydrophobicContact CG1-CE1 3.96Å; I144-F166 HydrophobicContact CG1-CZ 4.48Å |
| 145 | E | 94.5 | Very high | 91.8 | Very high | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -50.1 | 175.2 | -176.9 | -179.1 | 179.6 | 0 | 0 | 111 | Y165 | E145-Y165 PolarHBondContact N-O 3.13Å |
| 146 | E | 93.5 | Very high | 91.4 | Very high | 82 Ų | 82 | 69.9 Ų | 69.9 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149.5 | -176.5 | -167.5 | -176 | 178.9 | 0 | 0 | 110.2 | K148 Y165 | E146-K148 HydrophobicContact CG-CG 4.37Å; E146-K148 WeakPolarHBondContact OE1-CE 3.36Å; E146-K148 IonicContact OE1-NZ 2.81Å; E146-K148 PolarHBondContact OE1-NZ 3.31Å; E146-K148 IonicContact OE2-NZ 2.64Å; E146-K148 PolarHBondContact OE2-NZ 3.06Å; E146-Y165 HydrophobicContact CB-CD2 4.18Å; E146-Y165 HydrophobicContact CB-CG 4.47Å; E146-Y165 PolarHBondContact N-O 2.81Å; E146-Y165 WeakPolarHBondContact O-CB 3.34Å; E146-Y165 WeakPolarHBondContact O-CD2 3.44Å; E146-Y165 PolarHBondContact O-N 2.91Å |
| 147 | I | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 72.7 Ų | 72.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124 | 169.6 | -54.6 | 176.8 | 0 | 0 | 0 | 108.7 | E131 L134 Y135 I144 F163 I164 | E131-I147 VanDerWaalsContact CD-O 3.25Å; E131-I147 HydrophobicContact CG-CB 3.48Å; E131-I147 VanDerWaalsContact CG-CB 3.48Å; E131-I147 HydrophobicContact CG-CD1 4.27Å; E131-I147 HydrophobicContact CG-CG1 4.4Å; E131-I147 HydrophobicContact CG-CG2 3.63Å; L134-I147 HydrophobicContact CB-CD1 4.16Å; L134-I147 HydrophobicContact CB-CG2 4.43Å; L134-I147 HydrophobicContact CD1-CG2 4.11Å; Y135-I147 HydrophobicContact CD2-CD1 4.05Å; Y135-I147 HydrophobicContact CG-CD1 4.39Å; I144-I147 HydrophobicContact CD1-CD1 4.3Å; I144-I147 HydrophobicContact CG2-CD1 4.14Å; I144-I147 HydrophobicContact CG2-CG1 3.65Å; I147-F163 CarbonylContact C-O 3.55Å; I147-F163 WeakPolarHBondContact CA-O 3.46Å; I147-I164 HydrophobicContact CG1-CG1 4.41Å; I147-I164 HydrophobicContact CG1-CG2 4.32Å; I147-I164 HydrophobicContact CG2-CG1 4.18Å |
| 148 | K | 92.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 71.9 Ų | 71.9 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 101.8 | 178.5 | -74.7 | -172.6 | 162.1 | 107.4 | 0 | 110.4 | E146 A162 F163 Y165 P200 | E146-K148 HydrophobicContact CG-CG 4.37Å; E146-K148 WeakPolarHBondContact OE1-CE 3.36Å; E146-K148 IonicContact OE1-NZ 2.81Å; E146-K148 PolarHBondContact OE1-NZ 3.31Å; E146-K148 IonicContact OE2-NZ 2.64Å; E146-K148 PolarHBondContact OE2-NZ 3.06Å; K148-A162 CarbonylContact O-C 3.57Å; K148-A162 VanDerWaalsContact O-CA 3.3Å; K148-A162 WeakPolarHBondContact O-CA 3.3Å; K148-F163 HydrophobicContact CB-CB 4.46Å; K148-F163 PolarHBondContact N-O 2.9Å; K148-F163 PolarHBondContact O-N 3.42Å; K148-Y165 HydrophobicContact CB-CE2 4.28Å; K148-Y165 HydrophobicContact CD-CE2 3.93Å; K148-Y165 HydrophobicContact CG-CE2 4.08Å; K148-P200 HydrophobicContact CD-CB 4.3Å; K148-P200 HydrophobicContact CD-CG 3.83Å |
| 149 | L | 93.4 | Very high | 91.2 | Very high | 34 Ų | 34 | 79.4 Ų | 79.4 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.1 | 171.6 | -167.7 | 153.6 | 0 | 0 | 0 | 109.9 | T129 Q151 S158 A162 | T129-L149 VanDerWaalsContact O-CD1 3.28Å; T129-L149 WeakPolarHBondContact O-CD1 3.39Å; L149-Q151 HydrophobicContact CD2-CG 3.41Å; L149-Q151 VanDerWaalsContact CD2-CG 3.41Å; L149-Q151 PolarHBondContact O-N 2.94Å; L149-S158 WeakPolarHBondContact CD2-OG 3.45Å; L149-A162 HydrophobicContact CB-CB 4.45Å |
| 150 | V | 91.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 74.2 Ų | 74.2 | 22% | 0.218 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 116 | -178.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | R159 F161 F163 | V150-R159 WeakPolarHBondContact O-CB 3.49Å; V150-R159 PolarHBondContact O-N 2.79Å; V150-F161 HydrophobicContact CB-CD2 3.89Å; V150-F161 HydrophobicContact CB-CE1 4.39Å; V150-F161 HydrophobicContact CB-CE2 3.41Å; V150-F161 VanDerWaalsContact CB-CE2 3.41Å; V150-F161 HydrophobicContact CB-CZ 3.69Å; V150-F161 HydrophobicContact CG1-CE1 4.48Å; V150-F161 HydrophobicContact CG1-CE2 3.76Å; V150-F161 HydrophobicContact CG1-CZ 3.63Å; V150-F161 HydrophobicContact CG2-CD2 3.73Å; V150-F161 HydrophobicContact CG2-CE2 3.32Å; V150-F161 HydrophobicContact CG2-CZ 4.09Å; V150-F161 PolarHBondContact N-O 3Å; V150-F161 VanDerWaalsContact N-O 3.16Å; V150-F163 HydrophobicContact CG2-CD2 3.98Å; V150-F163 HydrophobicContact CG2-CE2 3.91Å |
| 151 | Q | 91.4 | Very high | 91.1 | Very high | 103 Ų | 103 | 70 Ų | 70 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.2 | 177.4 | -61.4 | -179.8 | -20.7 | 0 | 0 | 110.7 | L149 R157 | L149-Q151 HydrophobicContact CD2-CG 3.41Å; L149-Q151 VanDerWaalsContact CD2-CG 3.41Å; L149-Q151 PolarHBondContact O-N 2.94Å; Q151-R157 CarbonylContact C-O 3.6Å; Q151-R157 WeakPolarHBondContact CA-O 3.49Å |
| 152 | D | 88.8 | Confident | 91.1 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | trans | -78 | 118.5 | 171 | 171.4 | 34.2 | 0 | 0 | 0 | 109.7 | L154 S155 G156 R157 R159 | D152-L154 PolarHBondContact O-N 3.44Å; D152-L154 VanDerWaalsContact O-N 3.09Å; D152-L154 PolarHBondContact OD1-N 3.32Å; D152-S155 PolarHBondContact O-N 2.95Å; D152-S155 WeakPolarHBondContact OD2-CB 3.38Å; D152-S155 PolarHBondContact OD2-N 3.47Å; D152-S155 PolarHBondContact OD2-OG 2.92Å; D152-G156 VanDerWaalsContact O-CA 3.3Å; D152-G156 WeakPolarHBondContact O-CA 3.38Å; D152-G156 PolarHBondContact O-N 2.95Å; D152-R157 PolarHBondContact N-O 3.5Å; D152-R159 HydrophobicContact CB-CG 4.23Å | ||
| 153 | N | 83.6 | Confident | 91.2 | Very high | 148 Ų | 148 | 68.3 Ų | 68.3 | 79% | 0.791 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.8 | -175.7 | -62.2 | -1.4 | 0 | 0 | 0 | 113.5 | ||
| 154 | L | 81.9 | Confident | 91.2 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -51.3 | -179.7 | -67.5 | 172.8 | 0 | 0 | 0 | 111.8 | D152 Y208 K213 | D152-L154 PolarHBondContact O-N 3.44Å; D152-L154 VanDerWaalsContact O-N 3.09Å; D152-L154 PolarHBondContact OD1-N 3.32Å; L154-Y208 HydrophobicContact CD1-CE1 4.43Å; L154-K213 HydrophobicContact CD2-CG 4.16Å |
| 155 | S | 86.9 | Confident | 91.1 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -13.9 | -174.3 | 64.5 | 0 | 0 | 0 | 0 | 114.6 | D152 R157 | D152-S155 PolarHBondContact O-N 2.95Å; D152-S155 WeakPolarHBondContact OD2-CB 3.38Å; D152-S155 PolarHBondContact OD2-N 3.47Å; D152-S155 PolarHBondContact OD2-OG 2.92Å; S155-R157 PolarHBondContact O-N 2.73Å; S155-R157 WeakPolarHBondContact OG-CB 3.5Å; S155-R157 PolarHBondContact OG-N 3.05Å |
| 156 | G | 86.2 | Confident | 91.2 | Very high | 46 Ų | 46 | 56 Ų | 56 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | trans | 67.9 | 5.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D152 | D152-G156 VanDerWaalsContact O-CA 3.3Å; D152-G156 WeakPolarHBondContact O-CA 3.38Å; D152-G156 PolarHBondContact O-N 2.95Å | ||
| 157 | R | 88.8 | Confident | 91.2 | Very high | 168 Ų | 168 | 60.7 Ų | 60.7 | 63% | 0.634 | 30% | 0.296 | S | S | * | . | trans | -84.4 | 142.7 | -177.2 | -65 | 180 | 179 | 156.1 | -0.9 | 110.8 | M127 Q151 D152 S155 R159 | M127-R157 HydrophobicContact CE-CB 3.8Å; M127-R157 HydrophobicContact CE-CG 4.38Å; Q151-R157 CarbonylContact C-O 3.6Å; Q151-R157 WeakPolarHBondContact CA-O 3.49Å; D152-R157 PolarHBondContact N-O 3.5Å; S155-R157 PolarHBondContact O-N 2.73Å; S155-R157 WeakPolarHBondContact OG-CB 3.5Å; S155-R157 PolarHBondContact OG-N 3.05Å; R157-R159 PolarHBondContact O-N 3.22Å | ||
| 158 | S | 92.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 131 | 173.3 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | L149 G160 | L149-S158 WeakPolarHBondContact CD2-OG 3.45Å; S158-G160 PolarHBondContact O-N 3.27Å |
| 159 | R | 91.9 | Very high | 91.3 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 0.9 | 175.5 | -65.9 | -178.4 | 67.2 | -174.4 | -4.2 | 113.4 | V150 D152 R157 F161 | V150-R159 WeakPolarHBondContact O-CB 3.49Å; V150-R159 PolarHBondContact O-N 2.79Å; D152-R159 HydrophobicContact CB-CG 4.23Å; R157-R159 PolarHBondContact O-N 3.22Å; R159-F161 HydrophobicContact CB-CD1 3.76Å; R159-F161 HydrophobicContact CB-CE1 3.36Å; R159-F161 HydrophobicContact CB-CZ 4.18Å; R159-F161 HydrophobicContact CG-CE1 4.28Å |
| 160 | G | 92 | Very high | 91.3 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.1 | 19 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G124 L125 S158 | G124-G160 PolarHBondContact N-O 3.25Å; L125-G160 PolarHBondContact N-O 2.89Å; S158-G160 PolarHBondContact O-N 3.27Å |
| 161 | F | 93.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.4 | 171.9 | 63.6 | -86.9 | 0 | 0 | 0 | 112.2 | A122 F123 V150 R159 F163 | A122-F161 CarbonylContact O-C 3.55Å; A122-F161 WeakPolarHBondContact O-CA 3.39Å; A122-F161 WeakPolarHBondContact O-CB 3.37Å; F123-F161 HydrophobicContact CD1-CB 3.98Å; F123-F161 HydrophobicContact CE1-CB 4.47Å; V150-F161 HydrophobicContact CB-CD2 3.89Å; V150-F161 HydrophobicContact CB-CE1 4.39Å; V150-F161 HydrophobicContact CB-CE2 3.41Å; V150-F161 VanDerWaalsContact CB-CE2 3.41Å; V150-F161 HydrophobicContact CB-CZ 3.69Å; V150-F161 HydrophobicContact CG1-CE1 4.48Å; V150-F161 HydrophobicContact CG1-CE2 3.76Å; V150-F161 HydrophobicContact CG1-CZ 3.63Å; V150-F161 HydrophobicContact CG2-CD2 3.73Å; V150-F161 HydrophobicContact CG2-CE2 3.32Å; V150-F161 HydrophobicContact CG2-CZ 4.09Å; V150-F161 PolarHBondContact N-O 3Å; V150-F161 VanDerWaalsContact N-O 3.16Å; R159-F161 HydrophobicContact CB-CD1 3.76Å; R159-F161 HydrophobicContact CB-CE1 3.36Å; R159-F161 HydrophobicContact CB-CZ 4.18Å; R159-F161 HydrophobicContact CG-CE1 4.28Å; F161-F163 AromaticContact CD2-CE2 3.96Å; F161-F163 HydrophobicContact CD2-CE2 3.96Å; F161-F163 HydrophobicContact CD2-CZ 4.38Å; F161-F163 AromaticContact CE2-CE2 3.93Å; F161-F163 HydrophobicContact CE2-CE2 3.93Å; F161-F163 HydrophobicContact CE2-CZ 4.44Å |
| 162 | A | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G121 A122 L125 L134 K148 L149 | G121-A162 WeakPolarHBondContact CA-O 3.29Å; A122-A162 PolarHBondContact N-O 2.91Å; A122-A162 PolarHBondContact O-N 3.14Å; L125-A162 HydrophobicContact CD1-CB 3.62Å; L134-A162 HydrophobicContact CD1-CB 3.51Å; K148-A162 CarbonylContact O-C 3.57Å; K148-A162 VanDerWaalsContact O-CA 3.3Å; K148-A162 WeakPolarHBondContact O-CA 3.3Å; L149-A162 HydrophobicContact CB-CB 4.45Å |
| 163 | F | 94.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 18% | 0.18 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.3 | 173 | -64.4 | -80.4 | 0 | 0 | 0 | 109.6 | V119 L120 I147 K148 V150 F161 Y165 | V119-F163 HydrophobicContact CG1-CB 4.29Å; V119-F163 HydrophobicContact CG1-CD1 4.32Å; L120-F163 CarbonylContact O-C 3.55Å; L120-F163 WeakPolarHBondContact O-CA 3.36Å; I147-F163 CarbonylContact C-O 3.55Å; I147-F163 WeakPolarHBondContact CA-O 3.46Å; K148-F163 HydrophobicContact CB-CB 4.46Å; K148-F163 PolarHBondContact N-O 2.9Å; K148-F163 PolarHBondContact O-N 3.42Å; V150-F163 HydrophobicContact CG2-CD2 3.98Å; V150-F163 HydrophobicContact CG2-CE2 3.91Å; F161-F163 AromaticContact CD2-CE2 3.96Å; F161-F163 HydrophobicContact CD2-CE2 3.96Å; F161-F163 HydrophobicContact CD2-CZ 4.38Å; F161-F163 AromaticContact CE2-CE2 3.93Å; F161-F163 HydrophobicContact CE2-CE2 3.93Å; F161-F163 HydrophobicContact CE2-CZ 4.44Å; F163-Y165 HydrophobicContact CB-CE2 4Å |
| 164 | I | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.4 | -178.6 | -59.1 | 151.3 | 0 | 0 | 0 | 107.3 | V119 L120 A122 M138 I144 I147 F166 | V119-I164 WeakPolarHBondContact CA-O 3.41Å; L120-I164 PolarHBondContact N-O 2.92Å; L120-I164 PolarHBondContact O-N 3.45Å; A122-I164 HydrophobicContact CB-CD1 4.3Å; M138-I164 HydrophobicContact CE-CD1 3.66Å; M138-I164 HydrophobicContact CG-CD1 3.77Å; M138-I164 HydrophobicContact SD-CD1 4.01Å; I144-I164 HydrophobicContact CG2-CG2 4.18Å; I147-I164 HydrophobicContact CG1-CG1 4.41Å; I147-I164 HydrophobicContact CG1-CG2 4.32Å; I147-I164 HydrophobicContact CG2-CG1 4.18Å; I164-F166 HydrophobicContact CB-CE2 4.26Å; I164-F166 HydrophobicContact CG2-CD2 3.96Å; I164-F166 HydrophobicContact CG2-CE2 3.46Å; I164-F166 VanDerWaalsContact CG2-CE2 3.46Å; I164-F166 HydrophobicContact CG2-CZ 3.92Å |
| 165 | Y | 94.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.5 | 177.7 | -64.9 | -95.8 | 0 | 0 | 0 | 108.3 | V119 E145 E146 K148 F163 P200 | V119-Y165 HydrophobicContact CB-CD1 4.47Å; V119-Y165 HydrophobicContact CB-CE1 4.4Å; V119-Y165 HydrophobicContact CG1-CD1 4.22Å; V119-Y165 HydrophobicContact CG1-CE1 3.93Å; V119-Y165 HydrophobicContact CG1-CE2 4.48Å; V119-Y165 HydrophobicContact CG2-CD1 3.53Å; V119-Y165 HydrophobicContact CG2-CE1 3.52Å; V119-Y165 HydrophobicContact CG2-CG 4.46Å; E145-Y165 PolarHBondContact N-O 3.13Å; E146-Y165 HydrophobicContact CB-CD2 4.18Å; E146-Y165 HydrophobicContact CB-CG 4.47Å; E146-Y165 PolarHBondContact N-O 2.81Å; E146-Y165 WeakPolarHBondContact O-CB 3.34Å; E146-Y165 WeakPolarHBondContact O-CD2 3.44Å; E146-Y165 PolarHBondContact O-N 2.91Å; K148-Y165 HydrophobicContact CB-CE2 4.28Å; K148-Y165 HydrophobicContact CD-CE2 3.93Å; K148-Y165 HydrophobicContact CG-CE2 4.08Å; F163-Y165 HydrophobicContact CB-CE2 4Å; Y165-P200 VanDerWaalsContact OH-CD 3.24Å; Y165-P200 WeakPolarHBondContact OH-CD 3.41Å; Y165-P200 WeakPolarHBondContact OH-CG 3.46Å |
| 166 | F | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 149.7 | 171.5 | -74.8 | -87.6 | 0 | 0 | 0 | 110.6 | R118 L120 M138 I144 I164 S168 C171 A172 A175 | R118-F166 WeakPolarHBondContact CB-O 3.4Å; R118-F166 PolarHBondContact O-N 3.21Å; L120-F166 HydrophobicContact CD1-CD2 4.27Å; L120-F166 HydrophobicContact CD1-CE2 3.64Å; L120-F166 HydrophobicContact CD1-CZ 4.5Å; L120-F166 HydrophobicContact CG-CD2 4.26Å; L120-F166 HydrophobicContact CG-CE2 4.04Å; M138-F166 HydrophobicContact CB-CZ 4.22Å; I144-F166 HydrophobicContact CG1-CD1 4.33Å; I144-F166 HydrophobicContact CG1-CE1 3.96Å; I144-F166 HydrophobicContact CG1-CZ 4.48Å; I164-F166 HydrophobicContact CB-CE2 4.26Å; I164-F166 HydrophobicContact CG2-CD2 3.96Å; I164-F166 HydrophobicContact CG2-CE2 3.46Å; I164-F166 VanDerWaalsContact CG2-CE2 3.46Å; I164-F166 HydrophobicContact CG2-CZ 3.92Å; F166-S168 VanDerWaalsContact C-N 3.32Å; F166-S168 WeakPolarHBondContact CB-O 3.16Å; F166-S168 PolarHBondContact O-N 3.02Å; F166-C171 HydrophobicContact CB-CB 4.39Å; F166-C171 HydrophobicContact CD1-CB 3.8Å; F166-C171 HydrophobicContact CE1-CB 4.45Å; F166-C171 HydrophobicContact CG-CB 4.31Å; F166-A172 HydrophobicContact CB-CB 4.21Å; F166-A172 HydrophobicContact CD2-CB 3.88Å; F166-A172 HydrophobicContact CG-CB 4.21Å; F166-A175 HydrophobicContact CE2-CB 4.3Å; F166-A175 HydrophobicContact CZ-CB 3.93Å |
| 167 | R | 94.5 | Very high | 93.3 | Very high | 181 Ų | 181 | 59.7 Ų | 59.7 | 68% | 0.683 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -65.8 | -37 | 174.1 | -166.4 | 178.1 | -174.4 | -180 | 1.5 | 112.3 | E143 | E143-R167 HydrophobicContact CB-CB 4.23Å; E143-R167 PolarHBondContact O-N 3.09Å; E143-R167 VanDerWaalsContact O-N 3.07Å; E143-R167 WeakPolarHBondContact OE2-CD 3.1Å; E143-R167 IonicContact OE2-CZ 3.73Å; E143-R167 IonicContact OE2-NE 3.86Å; E143-R167 IonicContact OE2-NH1 2.8Å; E143-R167 PolarHBondContact OE2-NH1 3.42Å |
| 168 | S | 94.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -119.3 | 143.7 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | F166 E170 C171 A172 | F166-S168 VanDerWaalsContact C-N 3.32Å; F166-S168 WeakPolarHBondContact CB-O 3.16Å; F166-S168 PolarHBondContact O-N 3.02Å; S168-E170 PolarHBondContact O-N 3.16Å; S168-E170 PolarHBondContact OG-N 3.42Å; S168-C171 PolarHBondContact O-N 2.82Å; S168-A172 PolarHBondContact O-N 3.47Å |
| 169 | I | 93.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.3 | -31.2 | 174.5 | -58.6 | 170.2 | 0 | 0 | 0 | 110.5 | R118 A172 R173 | R118-I169 HydrophobicContact CB-CG1 4.08Å; I169-A172 PolarHBondContact O-N 3.41Å; I169-R173 WeakPolarHBondContact O-CB 3.18Å; I169-R173 PolarHBondContact O-N 2.85Å |
| 170 | E | 94.5 | Very high | 92.7 | Very high | 133 Ų | 133 | 50 Ų | 50 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | -180 | -59.8 | -172.9 | 155.5 | 0 | 0 | 111.7 | S168 R173 A174 | S168-E170 PolarHBondContact O-N 3.16Å; S168-E170 PolarHBondContact OG-N 3.42Å; E170-R173 PolarHBondContact O-N 2.9Å; E170-A174 WeakPolarHBondContact O-CB 3.44Å; E170-A174 PolarHBondContact O-N 2.97Å |
| 171 | C | 94 | Very high | 92.1 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 173.2 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | F166 S168 R173 A174 A175 | F166-C171 HydrophobicContact CB-CB 4.39Å; F166-C171 HydrophobicContact CD1-CB 3.8Å; F166-C171 HydrophobicContact CE1-CB 4.45Å; F166-C171 HydrophobicContact CG-CB 4.31Å; S168-C171 PolarHBondContact O-N 2.82Å; C171-R173 VanDerWaalsContact C-N 3.33Å; C171-R173 PolarHBondContact O-N 2.82Å; C171-A174 PolarHBondContact O-N 3.48Å; C171-A175 WeakPolarHBondContact O-CB 3.46Å; C171-A175 PolarHBondContact O-N 2.95Å |
| 172 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S117 L120 F166 S168 I169 R176 | S117-A172 WeakPolarHBondContact O-CB 3.36Å; L120-A172 HydrophobicContact CD1-CB 4.42Å; L120-A172 WeakPolarHBondContact CD1-O 3.5Å; L120-A172 HydrophobicContact CD2-CB 4.14Å; L120-A172 HydrophobicContact CG-CB 4.08Å; F166-A172 HydrophobicContact CB-CB 4.21Å; F166-A172 HydrophobicContact CD2-CB 3.88Å; F166-A172 HydrophobicContact CG-CB 4.21Å; S168-A172 PolarHBondContact O-N 3.47Å; I169-A172 PolarHBondContact O-N 3.41Å; A172-R176 WeakPolarHBondContact O-CB 3.37Å; A172-R176 PolarHBondContact O-N 3.36Å |
| 173 | R | 93.7 | Very high | 90.9 | Very high | 147 Ų | 147 | 61.1 Ų | 61.1 | 56% | 0.555 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 176.3 | -178 | 174.4 | 64.2 | 175.5 | -2.6 | 112 | I169 E170 C171 R176 A177 Y194 | I169-R173 WeakPolarHBondContact O-CB 3.18Å; I169-R173 PolarHBondContact O-N 2.85Å; E170-R173 PolarHBondContact O-N 2.9Å; C171-R173 VanDerWaalsContact C-N 3.33Å; C171-R173 PolarHBondContact O-N 2.82Å; R173-R176 PolarHBondContact O-N 2.91Å; R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.38Å; R173-Y194 WeakPolarHBondContact CA-OH 3.13Å; R173-Y194 WeakPolarHBondContact CB-OH 3.16Å; R173-Y194 WeakPolarHBondContact CG-OH 3.33Å |
| 174 | A | 92.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E170 C171 R176 A177 A178 | E170-A174 WeakPolarHBondContact O-CB 3.44Å; E170-A174 PolarHBondContact O-N 2.97Å; C171-A174 PolarHBondContact O-N 3.48Å; A174-R176 PolarHBondContact O-N 2.75Å; A174-A177 PolarHBondContact O-N 3.32Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 2.78Å |
| 175 | A | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L120 Y141 F166 C171 A177 A178 C179 | L120-A175 HydrophobicContact CD1-CB 3.76Å; Y141-A175 HydrophobicContact CD2-CB 3.77Å; Y141-A175 HydrophobicContact CG-CB 3.79Å; F166-A175 HydrophobicContact CE2-CB 4.3Å; F166-A175 HydrophobicContact CZ-CB 3.93Å; C171-A175 WeakPolarHBondContact O-CB 3.46Å; C171-A175 PolarHBondContact O-N 2.95Å; A175-A177 PolarHBondContact O-N 3.3Å; A175-A178 PolarHBondContact O-N 3.21Å; A175-C179 WeakPolarHBondContact O-CB 3.3Å; A175-C179 PolarHBondContact O-N 3.13Å; A175-C179 PolarHBondContact O-SG 3.37Å |
| 176 | R | 93 | Very high | 90.1 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.7 | -171.8 | -179.4 | -173.9 | -164.7 | 0.8 | 112 | L120 A172 R173 A174 C179 A180 D193 | L120-R176 HydrophobicContact CD1-CB 4.47Å; L120-R176 HydrophobicContact CD2-CB 4.22Å; A172-R176 WeakPolarHBondContact O-CB 3.37Å; A172-R176 PolarHBondContact O-N 3.36Å; R173-R176 PolarHBondContact O-N 2.91Å; A174-R176 PolarHBondContact O-N 2.75Å; R176-C179 CarbonylContact O-C 3.55Å; R176-C179 PolarHBondContact O-N 3.44Å; R176-A180 PolarHBondContact O-N 3.43Å; R176-D193 IonicContact CZ-OD1 3.58Å; R176-D193 IonicContact NE-OD1 3.62Å; R176-D193 IonicContact NH2-OD1 3.63Å; R176-D193 PolarHBondContact NH2-OD1 3.05Å |
| 177 | A | 91.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R173 A174 A175 A180 | R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.38Å; A174-A177 PolarHBondContact O-N 3.32Å; A175-A177 PolarHBondContact O-N 3.3Å; A177-A180 VanDerWaalsContact O-CB 3.3Å; A177-A180 WeakPolarHBondContact O-CB 3.47Å; A177-A180 PolarHBondContact O-N 3.42Å |
| 178 | A | 90 | Very high | 89.5 | Confident | 53 Ų | 53 | 76.4 Ų | 76.4 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y141 A174 A175 A180 | Y141-A178 HydrophobicContact CD1-CB 4.01Å; Y141-A178 HydrophobicContact CE1-CB 3.23Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 2.78Å; A175-A178 PolarHBondContact O-N 3.21Å; A178-A180 VanDerWaalsContact C-N 3.34Å |
| 179 | C | 88.3 | Confident | 89.4 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.7 | 178.2 | -62 | 0 | 0 | 0 | 0 | 114 | A175 R176 R181 G182 I192 | A175-C179 WeakPolarHBondContact O-CB 3.3Å; A175-C179 PolarHBondContact O-N 3.13Å; A175-C179 PolarHBondContact O-SG 3.37Å; R176-C179 CarbonylContact O-C 3.55Å; R176-C179 PolarHBondContact O-N 3.44Å; C179-R181 PolarHBondContact O-N 2.78Å; C179-G182 WeakPolarHBondContact O-CA 3.46Å; C179-G182 PolarHBondContact O-N 2.98Å; C179-I192 HydrophobicContact CB-CB 4.24Å; C179-I192 HydrophobicContact CB-CD1 3.36Å; C179-I192 HydrophobicContact CB-CG1 4.39Å |
| 180 | A | 81.6 | Confident | 89.4 | Confident | 80 Ų | 80 | 76 Ų | 76 | 66% | 0.661 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R176 A177 A178 G182 | R176-A180 PolarHBondContact O-N 3.43Å; A177-A180 VanDerWaalsContact O-CB 3.3Å; A177-A180 WeakPolarHBondContact O-CB 3.47Å; A177-A180 PolarHBondContact O-N 3.42Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A180-G182 PolarHBondContact O-N 2.68Å |
| 181 | R | 79.5 | Confident | 89.3 | Confident | 250 Ų | 250 | 76.9 Ų | 76.9 | 94% | 0.943 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.7 | 174.4 | -64 | -176.6 | 179.2 | -177.7 | -0.4 | 113.4 | C179 | C179-R181 PolarHBondContact O-N 2.78Š|
| 182 | G | 78.8 | Confident | 89.3 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | trans | 90.9 | 146.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C179 A180 V190 | C179-G182 WeakPolarHBondContact O-CA 3.46Å; C179-G182 PolarHBondContact O-N 2.98Å; A180-G182 PolarHBondContact O-N 2.68Å; G182-V190 WeakPolarHBondContact CA-O 3.3Å | ||
| 183 | L | 84.9 | Confident | 89.2 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.5 | 173.6 | 173 | 76.2 | 0 | 0 | 0 | 108.9 | I137 M138 L185 V190 I192 | I137-L183 HydrophobicContact CD1-CD2 4.2Å; I137-L183 HydrophobicContact CG2-CD1 3.53Å; I137-L183 HydrophobicContact CG2-CD2 3.72Å; I137-L183 HydrophobicContact CG2-CG 4.25Å; M138-L183 HydrophobicContact CE-CD2 4.12Å; L183-L185 PolarHBondContact O-N 3.45Å; L183-V190 HydrophobicContact CB-CB 4.2Å; L183-V190 PolarHBondContact N-O 3.29Å; L183-V190 WeakPolarHBondContact O-CB 3.33Å; L183-V190 WeakPolarHBondContact O-CG2 3.39Å; L183-V190 PolarHBondContact O-N 3.27Å; L183-I192 HydrophobicContact CB-CD1 3.94Å; L183-I192 HydrophobicContact CD2-CD1 4.23Å |
| 184 | E | 87.9 | Confident | 89.2 | Confident | 161 Ų | 161 | 71.5 Ų | 71.5 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.4 | 175.6 | -67.3 | -178.6 | 176 | 0 | 0 | 110.5 | R188 | E184-R188 WeakPolarHBondContact CA-O 3.42Å |
| 185 | L | 88.3 | Confident | 88.9 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 117.8 | 179.2 | -171.8 | 58 | 0 | 0 | 0 | 110.5 | L125 T129 L134 I137 L183 D187 R188 V190 | L125-L185 HydrophobicContact CD2-CD2 4.33Å; T129-L185 HydrophobicContact CG2-CD2 3.51Å; T129-L185 HydrophobicContact CG2-CG 4.45Å; L134-L185 HydrophobicContact CD2-CD2 4.03Å; I137-L185 HydrophobicContact CD1-CD1 3.66Å; I137-L185 HydrophobicContact CD1-CD2 4.36Å; L183-L185 PolarHBondContact O-N 3.45Å; L185-D187 PolarHBondContact O-N 3.36Å; L185-R188 PolarHBondContact N-O 2.66Å; L185-R188 PolarHBondContact O-N 3.36Å; L185-V190 HydrophobicContact CB-CG2 3.95Å |
| 186 | H | 89.2 | Confident | 88.4 | Confident | 76 Ų | 76 | 76 Ų | 76 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 54.6 | -173.5 | -52.4 | -76.6 | 0 | 0 | 0 | 112.9 | T129 H133 R188 | T129-H186 PolarHBondContact OG1-CD2 2.78Å; T129-H186 VanDerWaalsContact OG1-CD2 3.25Å; H133-H186 AromaticContact CD2-NE2 3.64Å; H186-R188 PolarHBondContact O-N 3.22Å |
| 187 | D | 87.7 | Confident | 87.9 | Confident | 175 Ų | 175 | 75.1 Ų | 75.1 | 94% | 0.936 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 23.5 | 177.8 | -45.1 | -43.4 | 0 | 0 | 0 | 114.4 | L185 | L185-D187 PolarHBondContact O-N 3.36Š|
| 188 | R | 90 | Very high | 87.2 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.6 | 176.6 | -61 | 179.7 | 73.8 | 87.9 | 2.1 | 110.4 | G124 E184 L185 H186 V190 | G124-R188 PolarHBondContact O-NE 2.86Å; E184-R188 WeakPolarHBondContact CA-O 3.42Å; L185-R188 PolarHBondContact N-O 2.66Å; L185-R188 PolarHBondContact O-N 3.36Å; H186-R188 PolarHBondContact O-N 3.22Å; R188-V190 PolarHBondContact O-N 3.42Å |
| 189 | I | 91.7 | Very high | 86.7 | Confident | 120 Ų | 120 | 84.5 Ų | 84.5 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.4 | 171.9 | -56 | 174.3 | 0 | 0 | 0 | 108.2 | ||
| 190 | V | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.5 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 109 | A122 F123 L125 G182 L183 L185 R188 I192 | A122-V190 HydrophobicContact CB-CG1 4.04Å; F123-V190 WeakPolarHBondContact O-CA 3.43Å; F123-V190 WeakPolarHBondContact O-CG1 3.47Å; L125-V190 HydrophobicContact CD2-CB 4.22Å; L125-V190 HydrophobicContact CD2-CG1 3.47Å; L125-V190 VanDerWaalsContact CD2-CG1 3.47Å; L125-V190 HydrophobicContact CD2-CG2 3.66Å; L125-V190 HydrophobicContact CG-CG1 4.36Å; G182-V190 WeakPolarHBondContact CA-O 3.3Å; L183-V190 HydrophobicContact CB-CB 4.2Å; L183-V190 PolarHBondContact N-O 3.29Å; L183-V190 WeakPolarHBondContact O-CB 3.33Å; L183-V190 WeakPolarHBondContact O-CG2 3.39Å; L183-V190 PolarHBondContact O-N 3.27Å; L185-V190 HydrophobicContact CB-CG2 3.95Å; R188-V190 PolarHBondContact O-N 3.42Å; V190-I192 HydrophobicContact CG1-CG1 4.34Å |
| 191 | R | 93 | Very high | 85.7 | Confident | 150 Ų | 150 | 90.5 Ų | 90.5 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.6 | 174.2 | -172.3 | 178.4 | 78.6 | -146.8 | -3.5 | 109.8 | A122 F123 D193 | A122-R191 CarbonylContact C-O 3.57Å; A122-R191 WeakPolarHBondContact CA-O 3.38Å; F123-R191 HydrophobicContact CB-CB 4.39Å; F123-R191 PolarHBondContact N-O 2.9Å; F123-R191 PolarHBondContact O-N 3.25Å; R191-D193 WeakPolarHBondContact CD-OD2 3.28Å; R191-D193 IonicContact CZ-OD2 2.73Å; R191-D193 IonicContact NE-OD2 3.54Å; R191-D193 PolarHBondContact NE-OD2 2.99Å |
| 192 | I | 93.3 | Very high | 85.5 | Confident | 7 Ų | 7 | 85.4 Ų | 85.4 | 4% | 0.036 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.5 | 179 | -68.9 | 149.7 | 0 | 0 | 0 | 109.1 | L120 G121 A122 M138 C179 L183 V190 | L120-I192 HydrophobicContact CB-CG2 4.18Å; L120-I192 HydrophobicContact CD1-CG2 3.8Å; L120-I192 HydrophobicContact CG-CG2 4.44Å; G121-I192 WeakPolarHBondContact O-CA 3.49Å; A122-I192 HydrophobicContact CB-CG1 4.32Å; M138-I192 HydrophobicContact CE-CD1 3.29Å; M138-I192 HydrophobicContact CE-CG1 3.97Å; C179-I192 HydrophobicContact CB-CB 4.24Å; C179-I192 HydrophobicContact CB-CD1 3.36Å; C179-I192 HydrophobicContact CB-CG1 4.39Å; L183-I192 HydrophobicContact CB-CD1 3.94Å; L183-I192 HydrophobicContact CD2-CD1 4.23Å; V190-I192 HydrophobicContact CG1-CG1 4.34Å |
| 193 | D | 92.5 | Very high | 85.3 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 20% | 0.203 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162 | -179.6 | -76.8 | -51.1 | 0 | 0 | 0 | 111.1 | L120 G121 F123 R176 R191 S195 | L120-D193 CarbonylContact C-O 3.57Å; L120-D193 WeakPolarHBondContact CA-O 3.45Å; G121-D193 PolarHBondContact N-O 2.92Å; G121-D193 PolarHBondContact O-N 3.43Å; F123-D193 HydrophobicContact CE2-CB 4.29Å; R176-D193 IonicContact CZ-OD1 3.58Å; R176-D193 IonicContact NE-OD1 3.62Å; R176-D193 IonicContact NH2-OD1 3.63Å; R176-D193 PolarHBondContact NH2-OD1 3.05Å; R191-D193 WeakPolarHBondContact CD-OD2 3.28Å; R191-D193 IonicContact CZ-OD2 2.73Å; R191-D193 IonicContact NE-OD2 3.54Å; R191-D193 PolarHBondContact NE-OD2 2.99Å; D193-S195 PolarHBondContact O-N 2.77Å |
| 194 | Y | 93.2 | Very high | 84.9 | Confident | 21 Ų | 21 | 95.1 Ų | 95.1 | 8% | 0.082 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139.5 | 167.1 | -64.5 | -56 | 0 | 0 | 0 | 109.2 | P114 K115 P116 S117 L120 R173 | P114-Y194 WeakPolarHBondContact CB-O 3.31Å; P114-Y194 VanDerWaalsContact CG-O 3.3Å; P114-Y194 WeakPolarHBondContact CG-O 3.44Å; P114-Y194 WeakPolarHBondContact O-CD2 3.35Å; K115-Y194 WeakPolarHBondContact O-CB 2.98Å; P116-Y194 VanDerWaalsContact CA-CD2 3.49Å; P116-Y194 HydrophobicContact CB-CD2 4.27Å; P116-Y194 HydrophobicContact CB-CE1 4.33Å; P116-Y194 HydrophobicContact CB-CE2 3.77Å; S117-Y194 WeakPolarHBondContact O-CD1 3.49Å; L120-Y194 HydrophobicContact CD2-CD1 3.47Å; L120-Y194 VanDerWaalsContact CD2-CD1 3.47Å; L120-Y194 HydrophobicContact CD2-CE1 3.8Å; L120-Y194 HydrophobicContact CD2-CG 4.45Å; R173-Y194 WeakPolarHBondContact CA-OH 3.13Å; R173-Y194 WeakPolarHBondContact CB-OH 3.16Å; R173-Y194 WeakPolarHBondContact CG-OH 3.33Å |
| 195 | S | 87.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 93.4 Ų | 93.4 | 6% | 0.056 | 46% | 0.464 | C | S | . | . | trans | -65.3 | 138 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | V119 D193 T197 | V119-S195 PolarHBondContact O-N 3.49Å; D193-S195 PolarHBondContact O-N 2.77Å; S195-T197 WeakPolarHBondContact CB-O 3.45Å; S195-T197 PolarHBondContact O-N 3.19Å; S195-T197 PolarHBondContact OG-N 2.86Å; S195-T197 VanDerWaalsContact OG-N 3.13Å; S195-T197 PolarHBondContact OG-O 3.02Å; S195-T197 PolarHBondContact OG-OG1 3.39Å | ||
| 196 | Y | 82.1 | Confident | 83.6 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -65.3 | -24.3 | 168.2 | -69.4 | -77.8 | 0 | 0 | 0 | 111.8 | V109 P114 | V109-Y196 HydrophobicContact CG1-CD1 3.91Å; V109-Y196 HydrophobicContact CG1-CE1 4.29Å; V109-Y196 HydrophobicContact CG1-CG 4.48Å; P114-Y196 HydrophobicContact CB-CD1 4.06Å; P114-Y196 HydrophobicContact CB-CE1 4.04Å; P114-Y196 HydrophobicContact CG-CE1 4.47Å |
| 197 | T | 82.1 | Confident | 82.9 | Confident | 38 Ų | 38 | 99.5 Ų | 99.5 | 23% | 0.233 | 51% | 0.514 | C | S | . | . | trans | -114.7 | 132.9 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | S195 R199 | S195-T197 WeakPolarHBondContact CB-O 3.45Å; S195-T197 PolarHBondContact O-N 3.19Å; S195-T197 PolarHBondContact OG-N 2.86Å; S195-T197 VanDerWaalsContact OG-N 3.13Å; S195-T197 PolarHBondContact OG-O 3.02Å; S195-T197 PolarHBondContact OG-OG1 3.39Å; T197-R199 VanDerWaalsContact C-N 3.27Å; T197-R199 PolarHBondContact O-N 2.92Å; T197-R199 PolarHBondContact OG1-O 3.25Å | ||
| 198 | E | 77.1 | Confident | 82 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -78.4 | -15.9 | 177.8 | -62.7 | -179.5 | 179 | 0 | 0 | 112.9 | V119 | V119-E198 WeakPolarHBondContact CG2-O 3.45Š|
| 199 | R | 78.9 | Confident | 81 | Confident | 194 Ų | 194 | 102.3 Ų | 102.3 | 73% | 0.732 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -134.8 | 154 | -173.7 | -65.6 | -178.3 | -178.1 | 173.9 | -0.3 | 110.6 | T197 H201 | T197-R199 VanDerWaalsContact C-N 3.27Å; T197-R199 PolarHBondContact O-N 2.92Å; T197-R199 PolarHBondContact OG1-O 3.25Å; R199-H201 PolarHBondContact O-N 3.3Å |
| 200 | P | 76.8 | Confident | 79.9 | Confident | 60 Ų | 60 | 97.6 Ų | 97.6 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.2 | 166.7 | -14.9 | 26.7 | 0 | 0 | 0 | 109 | K148 Y165 N202 | K148-P200 HydrophobicContact CD-CB 4.3Å; K148-P200 HydrophobicContact CD-CG 3.83Å; Y165-P200 VanDerWaalsContact OH-CD 3.24Å; Y165-P200 WeakPolarHBondContact OH-CD 3.41Å; Y165-P200 WeakPolarHBondContact OH-CG 3.46Å; P200-N202 PolarHBondContact O-N 2.85Å |
| 201 | H | 73 | Confident | 78.5 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 69% | 0.694 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138 | 170.5 | -71.3 | -69.5 | 0 | 0 | 0 | 109.5 | R199 | R199-H201 PolarHBondContact O-N 3.3Š|
| 202 | N | 75.5 | Confident | 77 | Confident | 144 Ų | 144 | 108 Ų | 108 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.2 | 165.3 | -65.4 | -15.2 | 0 | 0 | 0 | 107.3 | P200 T204 | P200-N202 PolarHBondContact O-N 2.85Å; N202-T204 PolarHBondContact O-N 3.28Å; N202-T204 VanDerWaalsContact O-N 3.11Å |
| 203 | P | 73.9 | Confident | 75.3 | Confident | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.3 | 175.9 | 23.8 | -32.7 | 0 | 0 | 0 | 107.2 | P205 | P203-P205 VanDerWaalsContact O-CD 3.29Å; P203-P205 WeakPolarHBondContact O-CD 2.91Å |
| 204 | T | 77.2 | Confident | 73.4 | Confident | 129 Ų | 129 | 123.6 Ų | 123.6 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -49.3 | 113.1 | -176.2 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | N202 G206 | N202-T204 PolarHBondContact O-N 3.28Å; N202-T204 VanDerWaalsContact O-N 3.11Å; T204-G206 PolarHBondContact O-N 2.65Å | ||
| 205 | P | 72.5 | Confident | 71.6 | Confident | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -62.4 | 125.8 | -170.9 | 22.2 | -32.2 | 0 | 0 | 0 | 109.2 | P203 | P203-P205 VanDerWaalsContact O-CD 3.29Å; P203-P205 WeakPolarHBondContact O-CD 2.91Å |
| 206 | G | 74.7 | Confident | 69.8 | Low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 128.1 | 160.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T204 | T204-G206 PolarHBondContact O-N 2.65Š|
| 207 | I | 75.2 | Confident | 68 | Low | 152 Ų | 152 | 137.2 Ų | 137.2 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -79.5 | 124.5 | 172.8 | -60.5 | 170.5 | 0 | 0 | 0 | 107.1 | M209 | I207-M209 PolarHBondContact O-N 3.17Š| ||
| 208 | Y | 69.6 | Low | 66.2 | Low | 181 Ų | 181 | 138 Ų | 138 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | trans | -65.5 | 95.3 | 172.2 | -178.6 | -106.4 | 0 | 0 | 0 | 109.4 | L154 G210 | L154-Y208 HydrophobicContact CD1-CE1 4.43Å; Y208-G210 VanDerWaalsContact CE1-CA 3.5Å; Y208-G210 PolarHBondContact O-N 2.99Å | ||
| 209 | M | 67.8 | Low | 64.6 | Low | 182 Ų | 182 | 139.1 Ų | 139.1 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | -75.5 | 19.4 | 175.9 | -58.1 | 137.3 | 77.8 | 0 | 0 | 112.5 | I207 | I207-M209 PolarHBondContact O-N 3.17Š| ||
| 210 | G | 68.5 | Low | 63 | Low | 22 Ų | 22 | 135.3 Ų | 135.3 | 23% | 0.227 | 73% | 0.725 | C | S | . | * | S | Bend | trans | -63.3 | 168.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y208 E212 | Y208-G210 VanDerWaalsContact CE1-CA 3.5Å; Y208-G210 PolarHBondContact O-N 2.99Å; G210-E212 PolarHBondContact O-N 3.46Å |
| 211 | K | 65 | Low | 61.4 | Low | 194 Ų | 194 | 135.7 Ų | 135.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -37.7 | 108.1 | -170.1 | -65.5 | 177.1 | -176.7 | 175 | 0 | 111 | K213 | K211-K213 PolarHBondContact O-N 3.14Š|
| 212 | E | 60.4 | Low | 60.1 | Low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -46.2 | 139.4 | -179.8 | -68.1 | 168.5 | 176 | 0 | 0 | 109.4 | G210 R214 | G210-E212 PolarHBondContact O-N 3.46Å; E212-R214 VanDerWaalsContact C-N 3.3Å; E212-R214 PolarHBondContact O-N 3.43Å | ||
| 213 | K | 58.3 | Low | 58.5 | Low | 133 Ų | 133 | 145.5 Ų | 145.5 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -54.1 | 105 | 166.5 | -67.4 | -176.9 | 178.8 | -176.1 | 0 | 105 | L154 K211 L215 | L154-K213 HydrophobicContact CD2-CG 4.16Å; K211-K213 PolarHBondContact O-N 3.14Å; K213-L215 HydrophobicContact CB-CG 4.18Å; K213-L215 PolarHBondContact O-N 3.25Å | ||
| 214 | R | 53.2 | Low | 56.8 | Low | 239 Ų | 239 | 144.3 Ų | 144.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -67.5 | 71.6 | 163.4 | -69.1 | -174 | 175.9 | 172.8 | -2.1 | 105.7 | E212 N216 | E212-R214 VanDerWaalsContact C-N 3.3Å; E212-R214 PolarHBondContact O-N 3.43Å; R214-N216 PolarHBondContact O-N 3.37Å; R214-N216 VanDerWaalsContact O-N 3.17Å | ||
| 215 | L | 54.9 | Low | 55.1 | Low | 122 Ų | 122 | 145.7 Ų | 145.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -52.5 | 122.2 | 158 | -67.8 | 171.9 | 0 | 0 | 0 | 103.3 | K213 H217 | K213-L215 HydrophobicContact CB-CG 4.18Å; K213-L215 PolarHBondContact O-N 3.25Å; L215-H217 PolarHBondContact O-N 3.22Å | ||
| 216 | N | 48.1 | Very low | 53.8 | Low | 163 Ų | 163 | 150.1 Ų | 150.1 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -49.4 | 90.6 | 171.2 | -73.8 | -16.4 | 0 | 0 | 0 | 107.9 | R214 G218 | R214-N216 PolarHBondContact O-N 3.37Å; R214-N216 VanDerWaalsContact O-N 3.17Å; N216-G218 PolarHBondContact O-N 3.46Å | ||
| 217 | H | 45.9 | Very low | 52.3 | Low | 165 Ų | 165 | 151.4 Ų | 151.4 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -72.2 | 81.3 | 160.7 | -81 | 12.9 | 0 | 0 | 0 | 104.8 | L215 V219 | L215-H217 PolarHBondContact O-N 3.22Å; H217-V219 PolarHBondContact O-N 2.89Å | ||
| 218 | G | 44.1 | Very low | 50.7 | Low | 54 Ų | 54 | 152.5 Ų | 152.5 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | trans | -49 | 121.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | N216 S220 | N216-G218 PolarHBondContact O-N 3.46Å; G218-S220 PolarHBondContact O-N 3.5Å | ||
| 219 | V | 42.6 | Very low | 49.2 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 52.1 | 64.3 | 138.7 | -160.8 | 0 | 0 | 0 | 0 | 114.8 | H217 | H217-V219 PolarHBondContact O-N 2.89Š|
| 220 | S | 45.4 | Very low | 48 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -161.5 | 135.5 | 146.7 | 67.9 | 0 | 0 | 0 | 0 | 110.3 | G218 | G218-S220 PolarHBondContact O-N 3.5Š| ||
| 221 | G | 43.9 | Very low | 46.7 | Very low | 68 Ų | 68 | 163.7 Ų | 163.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 134.8 | -23.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | R223 | G221-R223 VanDerWaalsContact C-N 3.28Å; G221-R223 PolarHBondContact O-N 3.09Å |
| 222 | R | 46 | Very low | 45.3 | Very low | 260 Ų | 260 | 159.5 Ų | 159.5 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | trans | -92.5 | 41.4 | 173.7 | -69.1 | -148.2 | -169.1 | -156.4 | 5.5 | 113.8 | ||||
| 223 | R | 40.6 | Very low | 44.3 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -120.5 | 90.1 | 168.8 | -88.6 | -174.9 | 170.8 | -173 | -2.7 | 109.4 | G221 | G221-R223 VanDerWaalsContact C-N 3.28Å; G221-R223 PolarHBondContact O-N 3.09Å | ||
| 224 | S | 39.9 | Very low | 43.4 | Very low | 94 Ų | 94 | 162.3 Ų | 162.3 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 162.1 | 95.3 | 161.5 | 40.3 | 0 | 0 | 0 | 0 | 104.4 | ||
| 225 | N | 40.8 | Very low | 42.9 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | S | Bend | -173.5 | 29 | 96.5 | -74.2 | -28.5 | 0 | 0 | 0 | 111.6 | |||
| 226 | F | 44.1 | Very low | 42 | Very low | 217 Ų | 217 | 155.4 Ų | 155.4 | 95% | 0.952 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -101.3 | 17.2 | -178.3 | -154.4 | -102.8 | 0 | 0 | 0 | 114.1 | ||
| 227 | A | 44.9 | Very low | 41.6 | Very low | 96 Ų | 96 | 159.1 Ų | 159.1 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -131.2 | 57.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 228 | E | 40.5 | Very low | 41.2 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -161.5 | 46.5 | 170.4 | -151.4 | 170.4 | 178.3 | 0 | 0 | 114.9 | ||||
| 229 | H | 39.3 | Very low | 41.1 | Very low | 199 Ų | 199 | 157.3 Ų | 157.3 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 29.4 | 165 | -84.1 | 73.8 | 0 | 0 | 0 | 112.7 | R231 | H229-R231 PolarHBondContact O-N 3.43Š| ||
| 230 | Q | 41.5 | Very low | 40.9 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -92.1 | 81.3 | 157.4 | -69.5 | -147.1 | 14.8 | 0 | 0 | 109 | ||||
| 231 | R | 41 | Very low | 40.6 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -176.2 | 115.5 | 152.5 | -106 | 162.1 | -160 | -128.6 | 3.3 | 111.9 | H229 | H229-R231 PolarHBondContact O-N 3.43Š|
| 232 | S | 35.2 | Very low | 40.7 | Very low | 106 Ų | 106 | 170.4 Ų | 170.4 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | 52.1 | 93.4 | 138.6 | 63.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 233 | T | 40.9 | Very low | 40.5 | Very low | 129 Ų | 129 | 163.3 Ų | 163.3 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -157.3 | 85.2 | 145.8 | 9.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 234 | Y | 39.4 | Very low | 40.5 | Very low | 239 Ų | 239 | 157 Ų | 157 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | -157.5 | 77.7 | 129.4 | -85.3 | -66.2 | 0 | 0 | 0 | 105.5 | D236 | Y234-D236 PolarHBondContact O-N 2.79Š| |||
| 235 | G | 41.3 | Very low | 40.8 | Very low | 63 Ų | 63 | 162 Ų | 162 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | -61.9 | 122.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | R237 | G235-R237 PolarHBondContact O-N 3.25Š| ||
| 236 | D | 35.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 165.9 Ų | 165.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | 38.3 | 86.8 | 111.2 | -141.1 | -9.4 | 0 | 0 | 0 | 114.3 | Y234 | Y234-D236 PolarHBondContact O-N 2.79Š| |||
| 237 | R | 39.6 | Very low | 40.7 | Very low | 241 Ų | 241 | 162.1 Ų | 162.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -130.6 | 71.7 | 158.8 | -76 | -165.5 | 178.2 | 178.1 | 0.8 | 109.9 | G235 | G235-R237 PolarHBondContact O-N 3.25Š| ||
| 238 | S | 39.2 | Very low | 40.6 | Very low | 89 Ų | 89 | 161.7 Ų | 161.7 | 62% | 0.622 | 81% | 0.811 | S | S | * | * | trans | -13.6 | 129.7 | 132.5 | 177 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 239 | S | 40.7 | Very low | 40.8 | Very low | 92 Ų | 92 | 163.5 Ų | 163.5 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | 49.5 | 113.1 | 144.8 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 240 | R | 39.6 | Very low | 40.8 | Very low | 250 Ų | 250 | 164.9 Ų | 164.9 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | -173.7 | 111.1 | 129.4 | -100.8 | 153 | -170.8 | -163.1 | 2.9 | 112.3 | |||||
| 241 | S | 39 | Very low | 40.8 | Very low | 116 Ų | 116 | 159.8 Ų | 159.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 144 | 161.5 | -43.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 242 | R | 44.7 | Very low | 41.2 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -172.6 | 155.2 | 149.6 | -106.8 | 176 | 178.3 | -169.1 | -1.2 | 111.3 | ||||
| 243 | P | 43.1 | Very low | 41.6 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -125.2 | 168.4 | -115.7 | 21.4 | 2.6 | 0 | 0 | 0 | 115.3 | |||||
| 244 | S | 39.7 | Very low | 41.6 | Very low | 106 Ų | 106 | 156.9 Ų | 156.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -1.2 | 133.1 | 159 | 63.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 245 | Q | 45.8 | Very low | 41.7 | Very low | 201 Ų | 201 | 157 Ų | 157 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | -143.2 | 135.2 | 121.2 | -72.6 | -157.1 | -11.1 | 0 | 0 | 111.5 | |||||
| 246 | R | 40.9 | Very low | 41.9 | Very low | 238 Ų | 238 | 158.7 Ų | 158.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -71.3 | 152.6 | -177.6 | -66.9 | 167.3 | 166.3 | 177.4 | -4.5 | 112 | ||||
| 247 | V | 43.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 157.5 Ų | 157.5 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | -159.9 | 109.6 | 112.4 | -155.9 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 248 | S | 41.8 | Very low | 42.3 | Very low | 87 Ų | 87 | 155.9 Ų | 155.9 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | 31.9 | 136 | 105.7 | -91.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 249 | R | 44.1 | Very low | 42.3 | Very low | 213 Ų | 213 | 162 Ų | 162 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | -173 | 137.3 | 15.1 | -109.7 | 160.4 | -162.3 | -158.3 | 2 | 105.5 | ||||
| 250 | R | 39.1 | Very low | 42.4 | Very low | 229 Ų | 229 | 166.5 Ų | 166.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | 79.3 | 134 | 111 | -153.7 | 173.3 | -128.7 | -146.2 | 4.7 | 112.5 | |||||
| 251 | S | 43.1 | Very low | 42.5 | Very low | 83 Ų | 83 | 163.4 Ų | 163.4 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | cis | -169.2 | 147.9 | 18 | -130.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 252 | T | 48.1 | Very low | 42.4 | Very low | 136 Ų | 136 | 162.8 Ų | 162.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 52.1 | 135.8 | 136.2 | 61.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 253 | G | 43.9 | Very low | 42.3 | Very low | 69 Ų | 69 | 156.3 Ų | 156.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -157.6 | -178.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 254 | E | 40.6 | Very low | 42.1 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | cis | -152.8 | 147 | 20.4 | -64.2 | -175.9 | 142 | 0 | 0 | 106.7 | ||||
| 255 | R | 40.9 | Very low | 41.9 | Very low | 242 Ų | 242 | 162.2 Ų | 162.2 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -115.6 | 166.1 | 159.1 | -102.6 | -173.3 | 156.7 | -158.8 | -5.2 | 105.1 | ||||
| 256 | P | 47.3 | Very low | 41.3 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -142.1 | 167.8 | 25.5 | 28.2 | -1.8 | 0 | 0 | 0 | 113.1 | ||||
| 257 | D | 42.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | 168.3 | 143.1 | 107.8 | -77.7 | -24.9 | 0 | 0 | 0 | 103 | |||||
| 258 | R | 41.1 | Very low | 40.8 | Very low | 206 Ų | 206 | 157 Ų | 157 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | cis | -175.6 | 124.1 | 46.5 | -160.5 | 166.6 | -95.4 | -169.2 | -3.6 | 106.8 | ||||
| 259 | Y | 38.6 | Very low | 40.8 | Very low | 218 Ų | 218 | 158.4 Ų | 158.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | 35.2 | 98.6 | 157 | -60.4 | -83.4 | 0 | 0 | 0 | 120.2 | ||||
| 260 | H | 42.5 | Very low | 40.2 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -84.1 | 122.1 | 143.9 | -118 | -65.4 | 0 | 0 | 0 | 107.8 | ||||
| 261 | Q | 42.8 | Very low | 40.1 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -83.4 | 114.8 | 156.1 | -85.4 | 176.3 | -13.4 | 0 | 0 | 108 | ||||
| 262 | S | 35.2 | Very low | 39.7 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -68.6 | -172 | 162.3 | -36.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 263 | P | 44.1 | Very low | 39.5 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | cis | -126.6 | 162.2 | -30.5 | 20.5 | 2.8 | 0 | 0 | 0 | 109.1 | ||||
| 264 | E | 39.2 | Very low | 39.2 | Very low | 171 Ų | 171 | 158 Ų | 158 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | 171.8 | 114.5 | 93 | -80.8 | -178.8 | 167.7 | 0 | 0 | 103.3 | |||||
| 265 | E | 33.6 | Very low | 39 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | 42.8 | 124.6 | 87 | -72.4 | -155.6 | 167.5 | 0 | 0 | 111.9 | |||||
| 266 | N | 34.5 | Very low | 38.7 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | cis | -177.6 | 163.3 | 24.3 | -123.1 | -31.3 | 0 | 0 | 0 | 107.2 | ||||
| 267 | S | 37.3 | Very low | 38.3 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 84.6 | 94.9 | 151.1 | -49.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 268 | R | 36.4 | Very low | 38 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -15.1 | 157.9 | 133.3 | -64.8 | 178 | 176.6 | -176.2 | -0.3 | 114.9 | ||||
| 269 | P | 42.1 | Very low | 37.8 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -158.1 | -176.5 | 46.9 | 39.7 | -15.2 | 0 | 0 | 0 | 118.3 | ||||
| 270 | R | 32.3 | Very low | 37.8 | Very low | 240 Ų | 240 | 148.5 Ų | 148.5 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -1.8 | 121.7 | 153.6 | -73.5 | -179 | -177.9 | -176.8 | 0.9 | 115.1 | ||||
| 271 | N | 36.1 | Very low | 37.6 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -142.9 | 114.7 | 141.9 | -127.7 | -13.2 | 0 | 0 | 0 | 113 | L273 | N271-L273 PolarHBondContact O-N 2.94Š| ||
| 272 | S | 34.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -63.9 | 107.7 | 164.7 | 46.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | L | 43.9 | Very low | 37.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | -138.4 | 87.4 | 160.8 | -73.6 | 174.5 | 0 | 0 | 0 | 108.7 | N271 Y275 | N271-L273 PolarHBondContact O-N 2.94Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 HydrophobicContact CB-CD2 4.24Å; L273-Y275 HydrophobicContact CB-CE2 4.42Å; L273-Y275 HydrophobicContact CD1-CE2 4.43Å; L273-Y275 PolarHBondContact O-N 3.21Å | ||
| 274 | A | 36.8 | Very low | 37.4 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 92.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108 | N276 | A274-N276 PolarHBondContact O-N 3.45Å; A274-N276 VanDerWaalsContact O-N 3.09Å | ||
| 275 | Y | 38 | Very low | 37.4 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -72.1 | 96.6 | 164.6 | -98.3 | -86.9 | 0 | 0 | 0 | 108.4 | L273 S277 | L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 HydrophobicContact CB-CD2 4.24Å; L273-Y275 HydrophobicContact CB-CE2 4.42Å; L273-Y275 HydrophobicContact CD1-CE2 4.43Å; L273-Y275 PolarHBondContact O-N 3.21Å; Y275-S277 VanDerWaalsContact C-N 3.3Å; Y275-S277 PolarHBondContact O-N 2.87Å | ||
| 276 | N | 34.8 | Very low | 38 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -73.8 | 83.8 | 168.1 | -170.3 | -1.8 | 0 | 0 | 0 | 108.8 | A274 N278 | A274-N276 PolarHBondContact O-N 3.45Å; A274-N276 VanDerWaalsContact O-N 3.09Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.49Å | ||
| 277 | S | 39 | Very low | 38.5 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -75.5 | 85.4 | 163.3 | 34 | 0 | 0 | 0 | 0 | 108.3 | Y275 S279 | Y275-S277 VanDerWaalsContact C-N 3.3Å; Y275-S277 PolarHBondContact O-N 2.87Å; S277-S279 PolarHBondContact O-N 3.23Å | ||
| 278 | N | 34.9 | Very low | 38.7 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -71 | 67.2 | 172.8 | -135 | -2.1 | 0 | 0 | 0 | 109.5 | N276 R280 | N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.49Å; N278-R280 PolarHBondContact O-N 3.42Å | ||
| 279 | S | 38.4 | Very low | 39 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -91.1 | 92.2 | 174.3 | -76.4 | 0 | 0 | 0 | 0 | 108.9 | S277 S281 | S277-S279 PolarHBondContact O-N 3.23Å; S279-S281 PolarHBondContact O-N 3.38Å | ||
| 280 | R | 38.2 | Very low | 38.9 | Very low | 215 Ų | 215 | 144 Ų | 144 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 34.4 | 88.9 | 142.2 | -68.7 | 174.5 | 165.4 | 172.1 | -5.5 | 114.8 | N278 R282 | N278-R280 PolarHBondContact O-N 3.42Å; R280-R282 PolarHBondContact O-N 3.38Å | ||
| 281 | S | 37.2 | Very low | 39.6 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -62.9 | 85.3 | 157.5 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | S279 I283 | S279-S281 PolarHBondContact O-N 3.38Å; S281-I283 VanDerWaalsContact C-N 3.29Å; S281-I283 PolarHBondContact O-N 3.18Å | ||
| 282 | R | 41.5 | Very low | 39.8 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -80.1 | 86.6 | 158.3 | -126.8 | -172.2 | -73.6 | 179 | -2.1 | 105.4 | R280 V284 | R280-R282 PolarHBondContact O-N 3.38Å; R282-V284 PolarHBondContact O-N 2.96Å | ||
| 283 | I | 35.1 | Very low | 40 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -71.2 | 90.7 | 169 | -62.4 | 173.5 | 0 | 0 | 0 | 106.2 | S281 R285 | S281-I283 VanDerWaalsContact C-N 3.29Å; S281-I283 PolarHBondContact O-N 3.18Å; I283-R285 HydrophobicContact CG2-CG 3.68Å | ||
| 284 | V | 40.8 | Very low | 40.1 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | trans | -82.2 | 104.2 | 158.4 | 179.3 | 0 | 0 | 0 | 0 | 105.1 | R282 T286 | R282-V284 PolarHBondContact O-N 2.96Å; V284-T286 HydrophobicContact CG1-CG2 4.14Å; V284-T286 PolarHBondContact O-N 3.07Å | ||
| 285 | R | 40.5 | Very low | 40.1 | Very low | 205 Ų | 205 | 146 Ų | 146 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -76.5 | 99.7 | 170 | -66 | -170.9 | -178.7 | -154 | -2.6 | 107.8 | I283 | I283-R285 HydrophobicContact CG2-CG 3.68Š| ||
| 286 | T | 45.3 | Very low | 40.8 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -94.8 | 100.1 | 155.7 | 51.1 | 0 | 0 | 0 | 0 | 107 | V284 N288 | V284-T286 HydrophobicContact CG1-CG2 4.14Å; V284-T286 PolarHBondContact O-N 3.07Å; T286-N288 PolarHBondContact O-N 3.05Å | ||
| 287 | N | 46.1 | Very low | 41.6 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -78.3 | 112.3 | 168.2 | -74.7 | -14.4 | 0 | 0 | 0 | 107.3 | ||||
| 288 | N | 40.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -154.5 | 94.6 | 152.9 | -88.1 | -21.7 | 0 | 0 | 0 | 107.3 | T286 | T286-N288 PolarHBondContact O-N 3.05Š| ||
| 289 | G | 42.4 | Very low | 42.6 | Very low | 79 Ų | 79 | 154.9 Ų | 154.9 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -143 | 88.5 | 176 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 290 | V | 40.5 | Very low | 43.1 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -61.8 | 132.5 | 171.5 | 171.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 291 | Q | 46.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -165 | 120.6 | 136.1 | -103.7 | 177.1 | 42.6 | 0 | 0 | 111.3 | ||||
| 292 | Q | 41 | Very low | 44.1 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | 62.4 | 111.5 | 140.7 | -61.5 | 169.6 | 25 | 0 | 0 | 117.5 | ||||
| 293 | S | 38.6 | Very low | 44.4 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 155.2 | 124.8 | 109.8 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 294 | R | 46.2 | Very low | 44.9 | Very low | 229 Ų | 229 | 150.6 Ų | 150.6 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | 81.3 | 98.6 | 146.3 | -63.5 | 170.2 | 177.6 | -166.8 | -3.2 | 117.7 | R296 | R294-R296 PolarHBondContact O-N 3.41Š| ||
| 295 | S | 37.4 | Very low | 45.1 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -30.2 | 109.9 | 148.1 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 296 | R | 51.7 | Low | 45.4 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -141 | 125 | 154.9 | -74.4 | -167.3 | 170.5 | 174.1 | -3.9 | 109.5 | R294 | R294-R296 PolarHBondContact O-N 3.41Š| ||
| 297 | Q | 51.9 | Low | 45.4 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -43.2 | 149.1 | -177.1 | -62.3 | -71.8 | -34.5 | 0 | 0 | 114.4 | R299 | Q297-R299 PolarHBondContact O-N 2.78Å; Q297-R299 VanDerWaalsContact O-N 3.08Å | ||
| 298 | P | 49.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 109.7 | 171.4 | 29.3 | -30.1 | 0 | 0 | 0 | 108.7 | S300 | P298-S300 PolarHBondContact O-N 2.84Å; P298-S300 VanDerWaalsContact O-N 3.13Å | ||
| 299 | R | 45.9 | Very low | 45.8 | Very low | 232 Ų | 232 | 151.7 Ų | 151.7 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -68.3 | 109.7 | 163.3 | -78 | -170.1 | 172.5 | -167.8 | -2.3 | 107.5 | Q297 N301 | Q297-R299 PolarHBondContact O-N 2.78Å; Q297-R299 VanDerWaalsContact O-N 3.08Å; R299-N301 PolarHBondContact O-N 3.47Å; R299-N301 VanDerWaalsContact O-N 3.11Å | ||
| 300 | S | 48.3 | Very low | 46 | Very low | 98 Ų | 98 | 160.1 Ų | 160.1 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -53.5 | 108.1 | 166.8 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | P298 V302 | P298-S300 PolarHBondContact O-N 2.84Å; P298-S300 VanDerWaalsContact O-N 3.13Å; S300-V302 PolarHBondContact O-N 3.13Å | ||
| 301 | N | 49.8 | Very low | 46.5 | Very low | 150 Ų | 150 | 163.5 Ų | 163.5 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 76.9 | 162.7 | -77.7 | -24 | 0 | 0 | 0 | 107.9 | R299 I303 | R299-N301 PolarHBondContact O-N 3.47Å; R299-N301 VanDerWaalsContact O-N 3.11Å; N301-I303 PolarHBondContact O-N 3.43Å | ||
| 302 | V | 47.2 | Very low | 46.9 | Very low | 91 Ų | 91 | 163 Ų | 163 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | trans | -68 | 85.4 | 159.6 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | S300 R304 | S300-V302 PolarHBondContact O-N 3.13Å; V302-R304 HydrophobicContact CG1-CB 4.26Å; V302-R304 HydrophobicContact CG1-CG 3.73Å; V302-R304 PolarHBondContact O-N 3.34Å; V302-R304 VanDerWaalsContact O-N 3.14Å | ||
| 303 | I | 48.5 | Very low | 47.2 | Very low | 134 Ų | 134 | 161.3 Ų | 161.3 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 80.1 | 161.4 | -58.7 | -179.9 | 0 | 0 | 0 | 106.2 | N301 N305 | N301-I303 PolarHBondContact O-N 3.43Å; I303-N305 VanDerWaalsContact C-N 3.25Å; I303-N305 HydrophobicContact CG2-CB 4.47Å; I303-N305 PolarHBondContact O-N 3.22Å; I303-N305 VanDerWaalsContact O-N 3.08Å | ||
| 304 | R | 44.2 | Very low | 48.3 | Very low | 206 Ų | 206 | 165.8 Ų | 165.8 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 87.4 | 157.7 | -89.3 | -177.5 | -122.2 | 151.8 | -1.9 | 107.3 | V302 A306 | V302-R304 HydrophobicContact CG1-CB 4.26Å; V302-R304 HydrophobicContact CG1-CG 3.73Å; V302-R304 PolarHBondContact O-N 3.34Å; V302-R304 VanDerWaalsContact O-N 3.14Å; R304-A306 PolarHBondContact O-N 3.26Å | ||
| 305 | N | 45.3 | Very low | 48.8 | Very low | 147 Ų | 147 | 161.7 Ų | 161.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 67.7 | 154.1 | -80.7 | -6 | 0 | 0 | 0 | 107.7 | I303 | I303-N305 VanDerWaalsContact C-N 3.25Å; I303-N305 HydrophobicContact CG2-CB 4.47Å; I303-N305 PolarHBondContact O-N 3.22Å; I303-N305 VanDerWaalsContact O-N 3.08Å | ||
| 306 | A | 47.1 | Very low | 49.2 | Very low | 72 Ų | 72 | 164.6 Ų | 164.6 | 60% | 0.595 | 78% | 0.782 | S | S | * | * | trans | -75.3 | 125 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R304 N308 | R304-A306 PolarHBondContact O-N 3.26Å; A306-N308 PolarHBondContact O-N 2.63Å | ||
| 307 | Y | 45.3 | Very low | 49.4 | Very low | 235 Ų | 235 | 162.9 Ų | 162.9 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -31.3 | 107.1 | 167.8 | -80.3 | -100.7 | 0 | 0 | 0 | 112.5 | ||||
| 308 | N | 49.5 | Very low | 49.7 | Very low | 145 Ų | 145 | 159 Ų | 159 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -144 | 73.7 | 171 | -110.2 | -13.5 | 0 | 0 | 0 | 109.2 | A306 | A306-N308 PolarHBondContact O-N 2.63Š| ||
| 309 | M | 45.2 | Very low | 49.7 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -156.2 | 68.2 | 155 | -77.4 | -51.7 | 162.6 | 0 | 0 | 109 | ||||
| 310 | R | 46.4 | Very low | 50.2 | Low | 256 Ų | 256 | 155.1 Ų | 155.1 | 97% | 0.966 | 77% | 0.774 | S | S | * | * | trans | -112.1 | 75.4 | 156.4 | -151.9 | 177.5 | -169.3 | -156.9 | 2.6 | 107.7 | ||||
| 311 | R | 50.8 | Low | 50.5 | Low | 207 Ų | 207 | 155.6 Ų | 155.6 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | -86.7 | 116.6 | 165.1 | -76.1 | -172.8 | 173.5 | -151.7 | -2.1 | 107.8 | ||||
| 312 | Q | 55 | Low | 50.7 | Low | 150 Ų | 150 | 158.1 Ų | 158.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | 156.8 | 119.6 | 124.6 | -76.8 | -50.4 | -25.6 | 0 | 0 | 108.8 | |||||
| 313 | P | 48.3 | Very low | 50.7 | Low | 117 Ų | 117 | 158.9 Ų | 158.9 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -78.2 | 133.2 | 168.9 | 33 | -28.4 | 0 | 0 | 0 | 108.5 | ||||
| 314 | K | 60.2 | Low | 51 | Low | 194 Ų | 194 | 157.7 Ų | 157.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -122.8 | 100.7 | 164.7 | -74.9 | -170.3 | 177.9 | -175.1 | 0 | 108.3 | ||||
| 315 | N | 58.1 | Low | 51.6 | Low | 144 Ų | 144 | 153.9 Ų | 153.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 46.7 | 98.5 | 138.4 | -58.6 | 3.8 | 0 | 0 | 0 | 117.8 | ||||
| 316 | E | 45.1 | Very low | 51.9 | Low | 183 Ų | 183 | 152.6 Ų | 152.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | 3.7 | 110.5 | 120.6 | -62 | 174.6 | 175.9 | 0 | 0 | 116.2 | |||||
| 317 | F | 57.1 | Low | 52.3 | Low | 202 Ų | 202 | 161.7 Ų | 161.7 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -152.1 | 94.9 | 138.1 | -94.7 | -80.3 | 0 | 0 | 0 | 105 | ||||
| 318 | A | 57.4 | Low | 52.6 | Low | 88 Ų | 88 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 66.8 | 104.2 | 95.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 319 | S | 48.5 | Very low | 52.8 | Low | 106 Ų | 106 | 158.7 Ų | 158.7 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -36.8 | 166.2 | 162.5 | 49.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 320 | M | 57.2 | Low | 53.2 | Low | 163 Ų | 163 | 158.2 Ų | 158.2 | 80% | 0.803 | 80% | 0.803 | S | S | * | * | trans | 111.3 | 132 | 166.7 | -62.4 | -163.1 | -172.4 | 0 | 0 | 111.6 | ||||
| 321 | N | 53.7 | Low | 53.6 | Low | 109 Ų | 109 | 152.4 Ų | 152.4 | 58% | 0.583 | 79% | 0.793 | S | S | * | * | cis | 178.5 | 156.5 | -4.3 | -110.2 | -18.4 | 0 | 0 | 0 | 107.2 | ||||
| 322 | Y | 54.9 | Low | 53.8 | Low | 202 Ų | 202 | 149 Ų | 149 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 116.5 | 154.2 | -62.1 | -63.4 | 0 | 0 | 0 | 122.9 | ||||
| 323 | S | 47.9 | Very low | 53.7 | Low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -52.4 | 140.7 | 148 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 324 | S | 53.9 | Low | 54.1 | Low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 178.4 | 118.3 | 140.9 | 43 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 325 | T | 57.9 | Low | 53.6 | Low | 127 Ų | 127 | 147.9 Ų | 147.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | 84.3 | 111.3 | 81.6 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 326 | T | 49.7 | Very low | 53.2 | Low | 120 Ų | 120 | 148.3 Ų | 148.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 51.1 | 124.5 | 151 | 52.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 327 | H | 55.7 | Low | 54 | Low | 263 Ų | 263 | 145.1 Ų | 145.1 | 100% | 1.218 | 80% | 0.798 | S | S | * | * | -146.2 | 0 | 112.3 | -113.2 | -26.6 | 0 | 0 | 0 | 111.4 |
Retrieved 327 of 327 residues in 75.1 ms
(Link to these results)