| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.6 | Very low | 43.2 | Very low | 235 Ų | 235 | 169.9 Ų | 169.9 | 100% | 1.158 | 81% | 0.81 | S | S | * | * | 0 | 94.9 | 0 | -67.6 | -51.8 | -171.8 | 0 | 0 | 108.8 | |||||
| 2 | D | 38.6 | Very low | 43.8 | Very low | 124 Ų | 124 | 162.8 Ų | 162.8 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | trans | -33.6 | 156.8 | 145.1 | -57.2 | -103.9 | 0 | 0 | 0 | 112.8 | ||||
| 3 | K | 52.2 | Low | 43.2 | Very low | 178 Ų | 178 | 163.8 Ų | 163.8 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | cis | -176.8 | -178.6 | 4.2 | -109 | 169.8 | -174.5 | 115.5 | 0 | 105.4 | ||||
| 4 | P | 57.5 | Low | 42.8 | Very low | 117 Ų | 117 | 161.1 Ų | 161.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -134.2 | -179.7 | -26.1 | 36.5 | -18 | 0 | 0 | 0 | 114.5 | ||||
| 5 | R | 37.6 | Very low | 42.7 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -48.1 | 159.1 | 161.2 | -77.6 | 175.3 | 168.2 | -174.5 | -3.9 | 114.4 | E7 | R5-E7 IonicContact CZ-OE2 2.95Å; R5-E7 IonicContact NH1-OE1 2.78Å; R5-E7 PolarHBondContact NH1-OE1 3.06Å; R5-E7 VanDerWaalsContact NH1-OE1 3.12Å; R5-E7 IonicContact NH1-OE2 3.44Å; R5-E7 PolarHBondContact NH1-OE2 3.36Å | ||
| 6 | K | 47 | Very low | 42.7 | Very low | 211 Ų | 211 | 154.6 Ų | 154.6 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -125.1 | 138.9 | 135.8 | -107.2 | 179.7 | 179.3 | 178.6 | 0 | 110.2 | ||||
| 7 | E | 37.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 53% | 0.533 | 79% | 0.791 | S | S | . | * | trans | -132.1 | 132.1 | -166.8 | 175.6 | 167.5 | -155.8 | 0 | 0 | 104.7 | R5 | R5-E7 IonicContact CZ-OE2 2.95Å; R5-E7 IonicContact NH1-OE1 2.78Å; R5-E7 PolarHBondContact NH1-OE1 3.06Å; R5-E7 VanDerWaalsContact NH1-OE1 3.12Å; R5-E7 IonicContact NH1-OE2 3.44Å; R5-E7 PolarHBondContact NH1-OE2 3.36Å | ||
| 8 | N | 40.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -151.1 | 124.4 | 171.3 | -81.5 | -41.2 | 0 | 0 | 0 | 106.4 | ||||
| 9 | E | 44.1 | Very low | 41.7 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 118.9 | -169.5 | 179.2 | -178.2 | 179.5 | 0 | 0 | 107.1 | ||||
| 10 | E | 37.8 | Very low | 41.4 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -168.1 | 135.8 | 150.1 | -117.1 | 179.8 | 111.3 | 0 | 0 | 111.2 | ||||
| 11 | E | 36.4 | Very low | 41.1 | Very low | 165 Ų | 165 | 155 Ų | 155 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -113 | -175.8 | 172.1 | -128.1 | -168 | 101.4 | 0 | 0 | 106.9 | ||||
| 12 | P | 50.7 | Low | 40.6 | Very low | 85 Ų | 85 | 154.2 Ų | 154.2 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | cis | -135.7 | -176.5 | -20.6 | 38.6 | -20 | 0 | 0 | 0 | 114.4 | ||||
| 13 | Q | 35.2 | Very low | 41 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 51.2 | 116.9 | 145 | -72.3 | 166 | 23.3 | 0 | 0 | 122.1 | ||||
| 14 | S | 37.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | -168.5 | 135.2 | 113.1 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 15 | A | 42.1 | Very low | 39.9 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -107.7 | 169.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | P | 41.5 | Very low | 39.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -121.1 | 145.2 | 130.3 | 33.7 | -28.5 | 0 | 0 | 0 | 112.7 | ||||
| 17 | K | 44.4 | Very low | 39.4 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 165.1 | 172 | -59.1 | 178.5 | -173.8 | 178.8 | 0 | 108.4 | D19 | K17-D19 WeakPolarHBondContact CB-OD1 3.47Š| ||
| 18 | T | 33.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -161.4 | 146.8 | 49.4 | 32.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 19 | D | 32.5 | Very low | 38.7 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | cis | -140.6 | -66.6 | -21.4 | -127 | 1.6 | 0 | 0 | 0 | 115.3 | K17 | K17-D19 WeakPolarHBondContact CB-OD1 3.47Š| ||
| 20 | E | 35.1 | Very low | 38.4 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | cis | -146.6 | -147.7 | -10.6 | -155.5 | 163.1 | -109.7 | 0 | 0 | 108.6 | R22 | E20-R22 PolarHBondContact O-N 3.08Å; E20-R22 VanDerWaalsContact O-N 3.17Å | ||
| 21 | E | 34.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 110.9 | -172.3 | -88.1 | -164.1 | 89.2 | 0 | 0 | 117 | ||||
| 22 | R | 36.3 | Very low | 38.6 | Very low | 218 Ų | 218 | 146 Ų | 146 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | trans | -84.8 | 165.6 | 140.5 | -100.8 | -178.4 | -173.4 | 179.4 | 3.4 | 108.8 | E20 | E20-R22 PolarHBondContact O-N 3.08Å; E20-R22 VanDerWaalsContact O-N 3.17Å | ||
| 23 | P | 46.8 | Very low | 37.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -150.4 | 178.6 | 48.5 | 36 | -11.9 | 0 | 0 | 0 | 118.5 | ||||
| 24 | P | 56.6 | Low | 37.7 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -104.1 | 173.3 | 178.4 | 41 | -34.6 | 0 | 0 | 0 | 113.8 | ||||
| 25 | V | 31.9 | Very low | 37.6 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | 174 | 113.1 | 154.4 | 138.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 26 | E | 35.6 | Very low | 37.9 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | 67.5 | 125.6 | 89 | -73.2 | -108.1 | 137.9 | 0 | 0 | 115.4 | |||||
| 27 | H | 38.4 | Very low | 37.7 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 18.5 | 130.5 | 159.3 | -61.2 | -75.1 | 0 | 0 | 0 | 121.3 | ||||
| 28 | S | 31.9 | Very low | 37.3 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | 173.5 | 165.8 | 103.8 | -77.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 29 | H | 29.8 | Very low | 37.9 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 90 | 76.7 | 156.2 | -53.5 | -46.6 | 0 | 0 | 0 | 120.2 | K31 | H29-K31 PolarHBondContact O-N 3Š| ||
| 30 | E | 37.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | -46.3 | 114.5 | 129.4 | -179.6 | -172.4 | 146.8 | 0 | 0 | 112.2 | |||||
| 31 | K | 41.7 | Very low | 39 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -152.5 | 105.1 | 146.9 | -65.7 | -165.3 | -179.2 | -179.8 | 0 | 106.4 | H29 | H29-K31 PolarHBondContact O-N 3Š| ||
| 32 | Q | 37.9 | Very low | 39.6 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | 51.3 | 98.5 | 84.7 | -70.4 | -165.2 | -39.7 | 0 | 0 | 114.8 | |||||
| 33 | S | 31.3 | Very low | 40 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 177.7 | 123.4 | 137.3 | -169.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 34 | L | 35.4 | Very low | 40.4 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | 47.1 | 122.3 | 86.5 | -120.6 | 81.1 | 0 | 0 | 0 | 111.1 | |||||
| 35 | E | 35.8 | Very low | 39.9 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | cis | -141.2 | 136 | 34.6 | -72.8 | 164.8 | 120.4 | 0 | 0 | 114.3 | ||||
| 36 | E | 48.7 | Very low | 41 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 125.4 | 147 | -63.3 | 175.8 | 102.1 | 0 | 0 | 108 | ||||
| 37 | Q | 36.1 | Very low | 41.6 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -165.9 | 100.4 | 160.1 | -113.6 | 164.3 | 47.9 | 0 | 0 | 111.3 | ||||
| 38 | S | 36.1 | Very low | 42.4 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 177.9 | 127 | 109.6 | -163.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 39 | S | 47.2 | Very low | 43.8 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -57.1 | 169.1 | 150.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | E | 44.6 | Very low | 45.2 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -119.1 | 167.8 | -1 | -80.3 | 102.1 | 101.8 | 0 | 0 | 109 | ||||
| 41 | E | 45.9 | Very low | 46.3 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -158.5 | 154.5 | 84.2 | -85.1 | -169.4 | 119.5 | 0 | 0 | 112.5 | |||||
| 42 | Q | 47.1 | Very low | 47.2 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -77.5 | 127.4 | -179.3 | -56.5 | 167.8 | -88 | 0 | 0 | 110.6 | ||||
| 43 | S | 43.7 | Very low | 48.2 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 91.3 | 163.4 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | E45 | S43-E45 PolarHBondContact O-N 2.85Š| ||
| 44 | S | 54.8 | Low | 49.9 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 93.8 | 169.7 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | E46 | S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 3.17Å; S44-E46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | E | 46.7 | Very low | 51.2 | Low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -78.7 | 83.8 | 163.8 | 57.6 | -167.7 | 178 | 0 | 0 | 109.5 | S43 E47 | S43-E45 PolarHBondContact O-N 2.85Å; E45-E47 PolarHBondContact O-N 2.84Å | ||
| 46 | E | 55.1 | Low | 52.6 | Low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -60.2 | 99.4 | 161.4 | -175.4 | 124.9 | -146.9 | 0 | 0 | 107.7 | S44 F48 | S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 3.17Å; S44-E46 VanDerWaalsContact O-N 3.08Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 3.26Å | ||
| 47 | E | 49.1 | Very low | 53.2 | Low | 149 Ų | 149 | 150 Ų | 150 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 92.2 | -178.5 | -166.9 | 170.3 | -149.7 | 0 | 0 | 108.7 | E45 F49 | E45-E47 PolarHBondContact O-N 2.84Å; E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 HydrophobicContact CB-CD2 4.46Å; E47-F49 HydrophobicContact CB-CE2 3.97Å; E47-F49 HydrophobicContact CG-CD2 4.29Å; E47-F49 HydrophobicContact CG-CE2 3.69Å; E47-F49 HydrophobicContact CG-CZ 3.97Å; E47-F49 WeakPolarHBondContact O-CD2 3.26Å; E47-F49 PolarHBondContact O-N 3.11Å; E47-F49 WeakPolarHBondContact OE2-CE2 3.13Å; E47-F49 WeakPolarHBondContact OE2-CZ 3.4Å | ||
| 48 | F | 54 | Low | 54.5 | Low | 182 Ų | 182 | 147.5 Ų | 147.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 81.9 | -173.7 | -158.4 | -87.8 | 0 | 0 | 0 | 110.5 | E46 P50 | E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 3.26Å; F48-P50 VanDerWaalsContact O-CD 3.26Å; F48-P50 WeakPolarHBondContact O-CD 3.5Å | ||
| 49 | F | 61.1 | Low | 56 | Low | 145 Ų | 145 | 145.9 Ų | 145.9 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 118.4 | 170.5 | -73.1 | -83.8 | 0 | 0 | 0 | 109.4 | E47 E51 | E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 HydrophobicContact CB-CD2 4.46Å; E47-F49 HydrophobicContact CB-CE2 3.97Å; E47-F49 HydrophobicContact CG-CD2 4.29Å; E47-F49 HydrophobicContact CG-CE2 3.69Å; E47-F49 HydrophobicContact CG-CZ 3.97Å; E47-F49 WeakPolarHBondContact O-CD2 3.26Å; E47-F49 PolarHBondContact O-N 3.11Å; E47-F49 WeakPolarHBondContact OE2-CE2 3.13Å; E47-F49 WeakPolarHBondContact OE2-CZ 3.4Å; F49-E51 PolarHBondContact O-N 3.43Å; F49-E51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | P | 59.9 | Low | 56.6 | Low | 74 Ų | 74 | 149.3 Ų | 149.3 | 48% | 0.481 | 76% | 0.755 | S | S | . | * | trans | -68.4 | 110.7 | 173.1 | -16.6 | 32 | 0 | 0 | 0 | 109.1 | F48 E52 L53 | F48-P50 VanDerWaalsContact O-CD 3.26Å; F48-P50 WeakPolarHBondContact O-CD 3.5Å; P50-E52 PolarHBondContact O-N 3.16Å; P50-E52 VanDerWaalsContact O-N 3.09Å; P50-L53 PolarHBondContact O-N 3.26Å | ||
| 51 | E | 60 | Low | 57.3 | Low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -62.1 | -17.7 | -178.6 | -69.3 | 165.7 | 132.1 | 0 | 0 | 112.4 | F49 L53 L54 | F49-E51 PolarHBondContact O-N 3.43Å; F49-E51 VanDerWaalsContact O-N 3.08Å; E51-L53 PolarHBondContact O-N 3.41Å; E51-L53 VanDerWaalsContact O-N 3.1Å; E51-L54 PolarHBondContact O-N 3.48Å |
| 52 | E | 61.2 | Low | 57.9 | Low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -62.5 | -9.5 | 173.6 | -57.6 | -174.2 | 161.3 | 0 | 0 | 115 | P50 | P50-E52 PolarHBondContact O-N 3.16Å; P50-E52 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 57.4 | Low | 58.4 | Low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -93.9 | 0.3 | 177.1 | -70.1 | -178.9 | 0 | 0 | 0 | 114.7 | P50 E51 P55 | P50-L53 PolarHBondContact O-N 3.26Å; E51-L53 PolarHBondContact O-N 3.41Å; E51-L53 VanDerWaalsContact O-N 3.1Å; L53-P55 WeakPolarHBondContact O-CD 3.48Å |
| 54 | L | 68.3 | Low | 59.1 | Low | 137 Ų | 137 | 142.4 Ų | 142.4 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -88 | 116 | 169.3 | -70.5 | 175.1 | 0 | 0 | 0 | 109.8 | E51 E56 | E51-L54 PolarHBondContact O-N 3.48Å; L54-E56 PolarHBondContact O-N 2.94Å |
| 55 | P | 63.1 | Low | 59.1 | Low | 101 Ų | 101 | 144.2 Ų | 144.2 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | trans | -64.6 | 121.1 | 165.6 | -16.5 | 31.7 | 0 | 0 | 0 | 108.5 | L53 L57 | L53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-L57 HydrophobicContact CB-CD1 4.08Å; P55-L57 HydrophobicContact CB-CG 3.97Å; P55-L57 PolarHBondContact O-N 3.14Å | ||
| 56 | E | 63.9 | Low | 59.6 | Low | 195 Ų | 195 | 144.9 Ų | 144.9 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -69.5 | 65.6 | 171.3 | -69.9 | -167 | 146.9 | 0 | 0 | 111.1 | L54 L58 | L54-E56 PolarHBondContact O-N 2.94Å; E56-L58 PolarHBondContact O-N 3.18Å | ||
| 57 | L | 61.2 | Low | 59.9 | Low | 153 Ų | 153 | 146.5 Ų | 146.5 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | trans | -90 | 54.5 | 173.5 | -65.5 | 175.2 | 0 | 0 | 0 | 110.3 | P55 P59 | P55-L57 HydrophobicContact CB-CD1 4.08Å; P55-L57 HydrophobicContact CB-CG 3.97Å; P55-L57 PolarHBondContact O-N 3.14Å; L57-P59 WeakPolarHBondContact O-CD 3.43Å | ||
| 58 | L | 64.2 | Low | 60.3 | Low | 116 Ų | 116 | 143.8 Ų | 143.8 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | trans | -72.5 | 124.2 | 155 | -82.5 | 174.2 | 0 | 0 | 0 | 107.5 | E56 E60 L62 | E56-L58 PolarHBondContact O-N 3.18Å; L58-E60 PolarHBondContact O-N 3.09Å; L58-L62 HydrophobicContact CD2-CD1 4.19Å | ||
| 59 | P | 68.2 | Low | 60.4 | Low | 80 Ų | 80 | 141 Ų | 141 | 52% | 0.519 | 72% | 0.723 | S | S | . | * | trans | -57.6 | 129.7 | 177.2 | -25.3 | 34.9 | 0 | 0 | 0 | 110.9 | L57 M61 L62 | L57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-M61 PolarHBondContact O-N 3.08Å; P59-L62 PolarHBondContact O-N 2.9Å | ||
| 60 | E | 60.1 | Low | 60.2 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -55.8 | -19.3 | -176.5 | -62.1 | -176.2 | 154.6 | 0 | 0 | 113.7 | L58 L62 L63 S64 | L58-E60 PolarHBondContact O-N 3.09Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-L62 VanDerWaalsContact O-N 3.12Å; E60-L63 PolarHBondContact O-N 3.42Å; E60-S64 PolarHBondContact O-N 2.9Å |
| 61 | M | 58.2 | Low | 60.3 | Low | 167 Ų | 167 | 147.7 Ų | 147.7 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -53.6 | -22.8 | 168.7 | -66.8 | -175 | 66.6 | 0 | 0 | 114.5 | P59 | P59-M61 PolarHBondContact O-N 3.08Š|
| 62 | L | 58.1 | Low | 60 | Low | 129 Ų | 129 | 143 Ų | 143 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.5 | -12.8 | 176.8 | -65.6 | 176.5 | 0 | 0 | 0 | 113.5 | L58 P59 E60 | L58-L62 HydrophobicContact CD2-CD1 4.19Å; P59-L62 PolarHBondContact O-N 2.9Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-L62 VanDerWaalsContact O-N 3.12Å |
| 63 | L | 58.3 | Low | 59.7 | Low | 132 Ų | 132 | 141.5 Ų | 141.5 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -10.1 | -176.5 | -59.8 | 179.2 | 0 | 0 | 0 | 113 | E60 | E60-L63 PolarHBondContact O-N 3.42Š|
| 64 | S | 57.9 | Low | 59.8 | Low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | -119.2 | 70.3 | -177 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | E60 | E60-S64 PolarHBondContact O-N 2.9Š| ||
| 65 | E | 55.3 | Low | 59.3 | Low | 153 Ų | 153 | 141.1 Ų | 141.1 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -144.2 | 96.2 | 159.9 | -154 | 172.7 | 134.2 | 0 | 0 | 112.1 | R67 | E65-R67 PolarHBondContact O-N 3.41Š| ||
| 66 | E | 57.6 | Low | 59.1 | Low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -62.9 | 102.1 | 156.4 | -178.2 | -178.7 | 136.3 | 0 | 0 | 107.1 | ||||
| 67 | R | 60.3 | Low | 58.8 | Low | 208 Ų | 208 | 140.1 Ų | 140.1 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -60.1 | 126.2 | -177.5 | -62.8 | -175.8 | -167.1 | 119.7 | 6.2 | 109.3 | E65 | E65-R67 PolarHBondContact O-N 3.41Š| ||
| 68 | P | 58.8 | Low | 58.6 | Low | 93 Ų | 93 | 139 Ų | 139 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | trans | -58.1 | 148.7 | 165 | 26.9 | -33.5 | 0 | 0 | 0 | 108.8 | Q70 | P68-Q70 PolarHBondContact O-N 3.39Š| ||
| 69 | P | 54.6 | Low | 58.3 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -57.8 | 115.5 | -179.9 | 23.5 | -33.1 | 0 | 0 | 0 | 109.3 | E71 | P69-E71 PolarHBondContact O-N 2.97Š| ||
| 70 | Q | 58.4 | Low | 58 | Low | 182 Ų | 182 | 145.2 Ų | 145.2 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -64.9 | 103.3 | 174.3 | -82.1 | -169.2 | -15 | 0 | 0 | 108.7 | P68 G72 | P68-Q70 PolarHBondContact O-N 3.39Å; Q70-G72 PolarHBondContact O-N 3.5Å | ||
| 71 | E | 61.3 | Low | 58 | Low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -57.7 | 107.9 | 158.8 | -71.3 | -177.5 | 134.5 | 0 | 0 | 107.2 | P69 L73 | P69-E71 PolarHBondContact O-N 2.97Å; E71-L73 PolarHBondContact O-N 2.91Å | ||
| 72 | G | 53.8 | Low | 58.2 | Low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 91.8 | -169 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q70 S74 | Q70-G72 PolarHBondContact O-N 3.5Å; G72-S74 PolarHBondContact O-N 3.23Å | ||
| 73 | L | 55.5 | Low | 58.9 | Low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -55 | 125.6 | 173.9 | -64.7 | -179 | 0 | 0 | 0 | 109.1 | E71 R75 | E71-L73 PolarHBondContact O-N 2.91Å; L73-R75 PolarHBondContact O-N 3.1Å | ||
| 74 | S | 59.5 | Low | 59.4 | Low | 49 Ų | 49 | 140 Ų | 140 | 34% | 0.343 | 73% | 0.728 | S | S | . | * | trans | -59.9 | 134.9 | -174.4 | 125 | 0 | 0 | 0 | 0 | 109.7 | G72 K76 D77 | G72-S74 PolarHBondContact O-N 3.23Å; S74-K76 PolarHBondContact O-N 2.81Å; S74-K76 PolarHBondContact OG-N 3.5Å; S74-D77 VanDerWaalsContact CB-OD2 3.29Å; S74-D77 WeakPolarHBondContact CB-OD2 3.48Å; S74-D77 PolarHBondContact O-N 3.38Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-OD2 3.26Å | ||
| 75 | R | 57.4 | Low | 59.9 | Low | 225 Ų | 225 | 142.7 Ų | 142.7 | 85% | 0.849 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -11.2 | -175.9 | -161.8 | 178.7 | -175.9 | -175.7 | 2.5 | 114.5 | L73 | L73-R75 PolarHBondContact O-N 3.1Š|
| 76 | K | 59.3 | Low | 60.6 | Low | 165 Ų | 165 | 143.9 Ų | 143.9 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -41.9 | -178 | -55.2 | 164.4 | -169.7 | 169.4 | 0 | 110.8 | S74 L78 | S74-K76 PolarHBondContact O-N 2.81Å; S74-K76 PolarHBondContact OG-N 3.5Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 2.75Å |
| 77 | D | 57.4 | Low | 61.3 | Low | 110 Ų | 110 | 142.1 Ų | 142.1 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -16.3 | -171.7 | -51.2 | -74.1 | 0 | 0 | 0 | 113.1 | S74 F79 | S74-D77 VanDerWaalsContact CB-OD2 3.29Å; S74-D77 WeakPolarHBondContact CB-OD2 3.48Å; S74-D77 PolarHBondContact O-N 3.38Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-OD2 3.26Å; D77-F79 VanDerWaalsContact C-N 3.31Å; D77-F79 PolarHBondContact O-N 3.22Å |
| 78 | L | 56.3 | Low | 61.7 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -16 | -177.4 | -158.2 | 69.2 | 0 | 0 | 0 | 114.1 | K76 | K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 2.75Å |
| 79 | F | 58.1 | Low | 62.2 | Low | 153 Ų | 153 | 138.7 Ų | 138.7 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -17.8 | -173.6 | -70.7 | -82.9 | 0 | 0 | 0 | 114.5 | D77 | D77-F79 VanDerWaalsContact C-N 3.31Å; D77-F79 PolarHBondContact O-N 3.22Å |
| 80 | E | 61.1 | Low | 62.6 | Low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -17 | -170 | -158.4 | 149 | -143.4 | 0 | 0 | 113.6 | ||
| 81 | G | 61.1 | Low | 62.7 | Low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 82 | R | 62 | Low | 62.6 | Low | 180 Ų | 180 | 129.5 Ų | 129.5 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.1 | 117.9 | -177.3 | -151.7 | 179.6 | -151.2 | -104.1 | 5.9 | 109.6 | ||
| 83 | P | 71.9 | Confident | 62.8 | Low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 144.8 | 173.5 | 25.4 | -33.3 | 0 | 0 | 0 | 109.5 | M85 | P83-M85 PolarHBondContact O-N 2.99Å; P83-M85 VanDerWaalsContact O-N 3.09Å |
| 84 | P | 70.3 | Confident | 62.9 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122 | 176.2 | 24.1 | -32.9 | 0 | 0 | 0 | 108.3 | E86 | P84-E86 VanDerWaalsContact C-N 3.31Å; P84-E86 PolarHBondContact O-N 2.99Å |
| 85 | M | 67 | Low | 62.7 | Low | 155 Ų | 155 | 132.6 Ų | 132.6 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -75.5 | 88.8 | -176.6 | -164.8 | -179.6 | 81 | 0 | 0 | 107.9 | P83 Q87 | P83-M85 PolarHBondContact O-N 2.99Å; P83-M85 VanDerWaalsContact O-N 3.09Å; M85-Q87 PolarHBondContact O-N 2.88Å; M85-Q87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | E | 71.5 | Confident | 62.5 | Low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.5 | 179.2 | -75.5 | -150.6 | 143.9 | 0 | 0 | 109.7 | P84 P88 | P84-E86 VanDerWaalsContact C-N 3.31Å; P84-E86 PolarHBondContact O-N 2.99Å; E86-P88 WeakPolarHBondContact O-CD 3.25Å |
| 87 | Q | 72.4 | Confident | 62.2 | Low | 154 Ų | 154 | 128.5 Ų | 128.5 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 118.3 | 172.1 | -171.3 | 177 | 26.2 | 0 | 0 | 107.1 | M85 | M85-Q87 PolarHBondContact O-N 2.88Å; M85-Q87 VanDerWaalsContact O-N 3.1Å |
| 88 | P | 67.9 | Low | 62.3 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58 | 139.7 | 177.5 | 24.5 | -33.5 | 0 | 0 | 0 | 108.7 | E86 C90 | E86-P88 WeakPolarHBondContact O-CD 3.25Å; P88-C90 PolarHBondContact O-N 3.43Å |
| 89 | P | 70.2 | Confident | 62.9 | Low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 117.2 | -169.3 | 19.6 | -32.5 | 0 | 0 | 0 | 110.6 | G91 | P89-G91 PolarHBondContact O-N 3.34Š|
| 90 | C | 62.9 | Low | 63.6 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | trans | -50.9 | 112.6 | -179.4 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | P88 V92 | P88-C90 PolarHBondContact O-N 3.43Å; C90-V92 VanDerWaalsContact C-N 3.35Å; C90-V92 PolarHBondContact O-N 3.22Å | ||
| 91 | G | 60 | Low | 64.7 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | -62.4 | 81.8 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P89 G93 | P89-G91 PolarHBondContact O-N 3.34Å; G91-G93 PolarHBondContact O-N 2.94Å | ||
| 92 | V | 59.5 | Low | 65.6 | Low | 135 Ų | 135 | 119.9 Ų | 119.9 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -86.6 | 43.9 | 156.9 | -76.2 | 0 | 0 | 0 | 0 | 110.6 | C90 | C90-V92 VanDerWaalsContact C-N 3.35Å; C90-V92 PolarHBondContact O-N 3.22Å | ||
| 93 | G | 57.7 | Low | 66.6 | Low | 43 Ų | 43 | 119.4 Ų | 119.4 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | trans | -68.5 | 156.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G91 H95 K96 | G91-G93 PolarHBondContact O-N 2.94Å; G93-H95 PolarHBondContact O-N 3.31Å; G93-K96 PolarHBondContact O-N 3.2Å | ||
| 94 | K | 57.4 | Low | 67 | Low | 190 Ų | 190 | 118.3 Ų | 118.3 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -55.3 | -16.4 | -176.9 | -57.8 | -74 | -174.4 | 170.1 | 0 | 114.5 | K96 L97 | K94-K96 PolarHBondContact O-N 3.41Å; K94-L97 PolarHBondContact O-N 2.91Å; K94-L97 VanDerWaalsContact O-N 3.09Å |
| 95 | H | 54.8 | Low | 67.6 | Low | 111 Ų | 111 | 118 Ų | 118 | 51% | 0.514 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -51.7 | -21.8 | 178.2 | -131.3 | -137.4 | 0 | 0 | 0 | 115.3 | G93 L97 E98 E99 | G93-H95 PolarHBondContact O-N 3.31Å; H95-L97 PolarHBondContact O-N 3.12Å; H95-L97 VanDerWaalsContact O-N 3.08Å; H95-E98 PolarHBondContact O-N 3.28Å; H95-E98 VanDerWaalsContact O-N 3.11Å; H95-E99 VanDerWaalsContact CE1-CG 3.43Å; H95-E99 WeakPolarHBondContact CE1-CG 3.4Å; H95-E99 IonicContact CE1-OE1 3.39Å; H95-E99 PolarHBondContact CE1-OE1 2.75Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 IonicContact CE1-OE2 3.45Å; H95-E99 IonicContact CG-OE2 3.24Å; H95-E99 VanDerWaalsContact ND1-CG 3.32Å; H95-E99 WeakPolarHBondContact ND1-CG 3.3Å; H95-E99 IonicContact ND1-OE1 3.63Å; H95-E99 PolarHBondContact ND1-OE1 2.96Å; H95-E99 IonicContact ND1-OE2 2.65Å; H95-E99 PolarHBondContact ND1-OE2 3.3Å; H95-E99 PolarHBondContact O-N 3.3Å |
| 96 | K | 52.8 | Low | 68.3 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -53.3 | -23.8 | 171.8 | -66.5 | -74.7 | -176.6 | 171.6 | 0 | 114 | G93 K94 | G93-K96 PolarHBondContact O-N 3.2Å; K94-K96 PolarHBondContact O-N 3.41Å |
| 97 | L | 53.5 | Low | 68.8 | Low | 162 Ų | 162 | 108.7 Ų | 108.7 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -86.5 | -17 | -179.5 | -67.3 | 172.4 | 0 | 0 | 0 | 114.3 | K94 H95 | K94-L97 PolarHBondContact O-N 2.91Å; K94-L97 VanDerWaalsContact O-N 3.09Å; H95-L97 PolarHBondContact O-N 3.12Å; H95-L97 VanDerWaalsContact O-N 3.08Å |
| 98 | E | 59.4 | Low | 69.2 | Low | 156 Ų | 156 | 108 Ų | 108 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -32.9 | -171.3 | -164.8 | 158.2 | -167.4 | 0 | 0 | 113.1 | H95 R108 | H95-E98 PolarHBondContact O-N 3.28Å; H95-E98 VanDerWaalsContact O-N 3.11Å; E98-R108 PolarHBondContact O-NH1 2.69Å |
| 99 | E | 69.6 | Low | 69.5 | Low | 64 Ų | 64 | 105.6 Ų | 105.6 | 30% | 0.299 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -17.1 | 169.8 | -69.2 | -165.7 | 140.1 | 0 | 0 | 114.5 | H95 R105 | H95-E99 VanDerWaalsContact CE1-CG 3.43Å; H95-E99 WeakPolarHBondContact CE1-CG 3.4Å; H95-E99 IonicContact CE1-OE1 3.39Å; H95-E99 PolarHBondContact CE1-OE1 2.75Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 IonicContact CE1-OE2 3.45Å; H95-E99 IonicContact CG-OE2 3.24Å; H95-E99 VanDerWaalsContact ND1-CG 3.32Å; H95-E99 WeakPolarHBondContact ND1-CG 3.3Å; H95-E99 IonicContact ND1-OE1 3.63Å; H95-E99 PolarHBondContact ND1-OE1 2.96Å; H95-E99 IonicContact ND1-OE2 2.65Å; H95-E99 PolarHBondContact ND1-OE2 3.3Å; H95-E99 PolarHBondContact O-N 3.3Å; E99-R105 HydrophobicContact CB-CG 3.92Å; E99-R105 VanDerWaalsContact O-CG 3.26Å; E99-R105 WeakPolarHBondContact O-CG 3.33Å; E99-R105 WeakPolarHBondContact OE2-CD 3.27Å; E99-R105 IonicContact OE2-CZ 3.51Å; E99-R105 IonicContact OE2-NE 3.66Å; E99-R105 IonicContact OE2-NH1 2.69Å; E99-R105 PolarHBondContact OE2-NH1 3.4Å |
| 100 | G | 73.3 | Confident | 69.6 | Low | 20 Ų | 20 | 107.2 Ų | 107.2 | 21% | 0.206 | 56% | 0.557 | C | S | . | * | trans | 68.1 | -152.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E104 | G100-E104 WeakPolarHBondContact CA-OE2 3.29Š| ||
| 101 | S | 83.7 | Confident | 70 | Confident | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | trans | -72.8 | 158.2 | -174.3 | -179.2 | 0 | 0 | 0 | 0 | 112.9 | K103 E104 R105 | S101-K103 PolarHBondContact O-N 2.98Å; S101-E104 PolarHBondContact N-OE2 3.19Å; S101-E104 WeakPolarHBondContact O-CA 3.45Å; S101-E104 VanDerWaalsContact O-CB 3.31Å; S101-E104 WeakPolarHBondContact O-CB 3.29Å; S101-E104 PolarHBondContact O-N 3.09Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 3.42Å | ||
| 102 | F | 79.2 | Confident | 70.3 | Confident | 146 Ų | 146 | 110.8 Ų | 110.8 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.2 | -38.9 | 171.4 | 174 | -99 | 0 | 0 | 0 | 112.3 | E104 R105 L106 | F102-E104 VanDerWaalsContact C-N 3.29Å; F102-E104 PolarHBondContact O-N 2.82Å; F102-R105 PolarHBondContact O-N 2.91Å; F102-L106 HydrophobicContact CE1-CD2 4.31Å; F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.36Å; F102-L106 PolarHBondContact O-N 3.01Å |
| 103 | K | 83.3 | Confident | 70.5 | Confident | 170 Ų | 170 | 110.8 Ų | 110.8 | 74% | 0.739 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -34.6 | 175.2 | -173.3 | 177 | 179.8 | -179 | 0 | 112.4 | S101 A107 | S101-K103 PolarHBondContact O-N 2.98Å; K103-A107 WeakPolarHBondContact O-CB 3.37Å; K103-A107 PolarHBondContact O-N 2.9Å |
| 104 | E | 79.8 | Confident | 70.7 | Confident | 82 Ų | 82 | 117.8 Ų | 117.8 | 38% | 0.383 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -74.7 | -44.6 | 178.2 | -169.6 | 178.2 | 168 | 0 | 0 | 111.3 | G100 S101 F102 L106 A107 R108 | G100-E104 WeakPolarHBondContact CA-OE2 3.29Å; S101-E104 PolarHBondContact N-OE2 3.19Å; S101-E104 WeakPolarHBondContact O-CA 3.45Å; S101-E104 VanDerWaalsContact O-CB 3.31Å; S101-E104 WeakPolarHBondContact O-CB 3.29Å; S101-E104 PolarHBondContact O-N 3.09Å; F102-E104 VanDerWaalsContact C-N 3.29Å; F102-E104 PolarHBondContact O-N 2.82Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.43Å; E104-A107 WeakPolarHBondContact O-CB 3.27Å; E104-A107 PolarHBondContact O-N 3.4Å; E104-A107 VanDerWaalsContact O-N 3.1Å; E104-R108 WeakPolarHBondContact O-CG 3.35Å; E104-R108 PolarHBondContact O-N 3.05Å; E104-R108 IonicContact OE1-CZ 3.74Å; E104-R108 IonicContact OE1-NE 2.78Å; E104-R108 IonicContact OE1-NH2 3.25Å; E104-R108 PolarHBondContact OE1-NH2 2.94Å |
| 105 | R | 83.1 | Confident | 70.9 | Confident | 110 Ų | 110 | 110.5 Ų | 110.5 | 42% | 0.415 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 171.7 | -61.1 | -167.8 | -53.7 | 168.1 | 4 | 112 | E99 S101 F102 R108 S109 | E99-R105 HydrophobicContact CB-CG 3.92Å; E99-R105 VanDerWaalsContact O-CG 3.26Å; E99-R105 WeakPolarHBondContact O-CG 3.33Å; E99-R105 WeakPolarHBondContact OE2-CD 3.27Å; E99-R105 IonicContact OE2-CZ 3.51Å; E99-R105 IonicContact OE2-NE 3.66Å; E99-R105 IonicContact OE2-NH1 2.69Å; E99-R105 PolarHBondContact OE2-NH1 3.4Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 3.42Å; F102-R105 PolarHBondContact O-N 2.91Å; R105-R108 PolarHBondContact O-N 3.5Å; R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.9Å; R105-S109 PolarHBondContact O-OG 3.35Å |
| 106 | L | 82 | Confident | 71.1 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -34.5 | 174.7 | -176.7 | 62.2 | 0 | 0 | 0 | 112.7 | F102 E104 S109 R110 | F102-L106 HydrophobicContact CE1-CD2 4.31Å; F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.36Å; F102-L106 PolarHBondContact O-N 3.01Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.43Å; L106-S109 PolarHBondContact O-OG 2.92Å; L106-R110 HydrophobicContact CD1-CG 4.46Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.09Å; L106-R110 VanDerWaalsContact O-N 3.13Å |
| 107 | A | 82.2 | Confident | 71.8 | Confident | 62 Ų | 62 | 106.5 Ų | 106.5 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K103 E104 P111 | K103-A107 WeakPolarHBondContact O-CB 3.37Å; K103-A107 PolarHBondContact O-N 2.9Å; E104-A107 WeakPolarHBondContact O-CB 3.27Å; E104-A107 PolarHBondContact O-N 3.4Å; E104-A107 VanDerWaalsContact O-N 3.1Å; A107-P111 WeakPolarHBondContact O-CD 3.33Å |
| 108 | R | 81.3 | Confident | 72.2 | Confident | 138 Ų | 138 | 106.7 Ų | 106.7 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 175.1 | -67.6 | 178.1 | -171.1 | -171.2 | 6.4 | 112.3 | E98 E104 R105 | E98-R108 PolarHBondContact O-NH1 2.69Å; E104-R108 WeakPolarHBondContact O-CG 3.35Å; E104-R108 PolarHBondContact O-N 3.05Å; E104-R108 IonicContact OE1-CZ 3.74Å; E104-R108 IonicContact OE1-NE 2.78Å; E104-R108 IonicContact OE1-NH2 3.25Å; E104-R108 PolarHBondContact OE1-NH2 2.94Å; R105-R108 PolarHBondContact O-N 3.5Å |
| 109 | S | 74.1 | Confident | 72.5 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.7 | -27.8 | -178.1 | 67.6 | 0 | 0 | 0 | 0 | 114.7 | R105 L106 Q112 F113 | R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.9Å; R105-S109 PolarHBondContact O-OG 3.35Å; L106-S109 PolarHBondContact O-OG 2.92Å; S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.1Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; S109-F113 PolarHBondContact O-N 2.99Å |
| 110 | R | 73 | Confident | 72.4 | Confident | 159 Ų | 159 | 105.7 Ų | 105.7 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55.9 | -47.2 | -178.9 | -97.3 | -179.5 | 150.8 | -146.1 | -5.2 | 114.7 | L106 Q112 F113 R114 | L106-R110 HydrophobicContact CD1-CG 4.46Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.09Å; L106-R110 VanDerWaalsContact O-N 3.13Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-F113 PolarHBondContact O-N 2.97Å; R110-R114 VanDerWaalsContact O-CG 3.24Å; R110-R114 WeakPolarHBondContact O-CG 3.31Å; R110-R114 PolarHBondContact O-N 3.34Å; R110-R114 VanDerWaalsContact O-N 3.1Å |
| 111 | P | 71.6 | Confident | 72.5 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.4 | -39 | 175.2 | -24.2 | 34.3 | 0 | 0 | 0 | 112.6 | A107 F113 R114 G115 | A107-P111 WeakPolarHBondContact O-CD 3.33Å; P111-F113 PolarHBondContact O-N 3.47Å; P111-R114 PolarHBondContact O-N 2.89Å; P111-G115 PolarHBondContact O-N 2.9Å |
| 112 | Q | 66.1 | Low | 72.2 | Confident | 141 Ų | 141 | 112.9 Ų | 112.9 | 66% | 0.659 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.1 | -41 | -179 | -160.3 | 164.4 | 7 | 0 | 0 | 111.3 | S109 R110 D116 | S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.1Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; Q112-D116 PolarHBondContact O-N 3.23Å |
| 113 | F | 62 | Low | 72.7 | Confident | 135 Ų | 135 | 108.6 Ų | 108.6 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 172.3 | -172 | -111.2 | 0 | 0 | 0 | 112.5 | S109 R110 P111 G115 D116 I117 | S109-F113 PolarHBondContact O-N 2.99Å; R110-F113 PolarHBondContact O-N 2.97Å; P111-F113 PolarHBondContact O-N 3.47Å; F113-G115 VanDerWaalsContact C-N 3.27Å; F113-G115 PolarHBondContact O-N 3.39Å; F113-D116 PolarHBondContact O-N 2.91Å; F113-D116 VanDerWaalsContact O-N 3.07Å; F113-I117 HydrophobicContact CD1-CD1 4.1Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CG2 4.2Å; F113-I117 HydrophobicContact CZ-CD1 3.89Å; F113-I117 HydrophobicContact CZ-CG2 4.35Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å |
| 114 | R | 63.4 | Low | 73 | Confident | 191 Ų | 191 | 106.6 Ų | 106.6 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.4 | -35.3 | -179.8 | -74.1 | -104 | -106.9 | -103.4 | -2.7 | 113.3 | R110 P111 | R110-R114 VanDerWaalsContact O-CG 3.24Å; R110-R114 WeakPolarHBondContact O-CG 3.31Å; R110-R114 PolarHBondContact O-N 3.34Å; R110-R114 VanDerWaalsContact O-N 3.1Å; P111-R114 PolarHBondContact O-N 2.89Å |
| 115 | G | 60.3 | Low | 73.5 | Confident | 37 Ų | 37 | 109 Ų | 109 | 38% | 0.381 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -82.5 | -10.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P111 F113 R120 | P111-G115 PolarHBondContact O-N 2.9Å; F113-G115 VanDerWaalsContact C-N 3.27Å; F113-G115 PolarHBondContact O-N 3.39Å; G115-R120 WeakPolarHBondContact O-CD 3.47Å; G115-R120 WeakPolarHBondContact O-CG 3.42Å; G115-R120 PolarHBondContact O-NE 2.92Å |
| 116 | D | 60.5 | Low | 73.9 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -85.3 | -40.8 | -174.7 | -131 | -59.3 | 0 | 0 | 0 | 112.9 | Q112 F113 R120 | Q112-D116 PolarHBondContact O-N 3.23Å; F113-D116 PolarHBondContact O-N 2.91Å; F113-D116 VanDerWaalsContact O-N 3.07Å; D116-R120 IonicContact OD1-CZ 3.12Å; D116-R120 IonicContact OD1-NH1 3.38Å; D116-R120 PolarHBondContact OD1-NH1 3.44Å; D116-R120 IonicContact OD2-CZ 3.99Å; D116-R120 IonicContact OD2-NH1 2.87Å; D116-R120 PolarHBondContact OD2-NH1 2.85Å; D116-R120 IonicContact OD2-NH2 3.82Å; D116-R120 PolarHBondContact OD2-NH2 3.42Å |
| 117 | I | 66.6 | Low | 74.2 | Confident | 84 Ų | 84 | 109.9 Ų | 109.9 | 43% | 0.431 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -93.6 | -25.3 | -160.2 | 47.6 | 174.2 | 0 | 0 | 0 | 116.6 | F113 | F113-I117 HydrophobicContact CD1-CD1 4.1Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CG2 4.2Å; F113-I117 HydrophobicContact CZ-CD1 3.89Å; F113-I117 HydrophobicContact CZ-CG2 4.35Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å |
| 118 | H | 62.7 | Low | 74.6 | Confident | 165 Ų | 165 | 111 Ų | 111 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -143.9 | 21 | -166.5 | -65.3 | 106.6 | 0 | 0 | 0 | 116.6 | ||
| 119 | G | 64.6 | Low | 75.3 | Confident | 49 Ų | 49 | 109.3 Ų | 109.3 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -160.1 | 5.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | N121 | G119-N121 PolarHBondContact O-N 3.13Š|
| 120 | R | 68.6 | Low | 76.1 | Confident | 150 Ų | 150 | 109 Ų | 109 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -76.9 | -17.1 | -173.5 | -102.8 | 174.8 | -172 | 166.9 | 11.9 | 116 | G115 D116 | G115-R120 WeakPolarHBondContact O-CD 3.47Å; G115-R120 WeakPolarHBondContact O-CG 3.42Å; G115-R120 PolarHBondContact O-NE 2.92Å; D116-R120 IonicContact OD1-CZ 3.12Å; D116-R120 IonicContact OD1-NH1 3.38Å; D116-R120 PolarHBondContact OD1-NH1 3.44Å; D116-R120 IonicContact OD2-CZ 3.99Å; D116-R120 IonicContact OD2-NH1 2.87Å; D116-R120 PolarHBondContact OD2-NH1 2.85Å; D116-R120 IonicContact OD2-NH2 3.82Å; D116-R120 PolarHBondContact OD2-NH2 3.42Å |
| 121 | N | 74 | Confident | 77 | Confident | 157 Ų | 157 | 104 Ų | 104 | 84% | 0.84 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -119.4 | -2.1 | -171.7 | -56.8 | -37.5 | 0 | 0 | 0 | 113.8 | G119 | G119-N121 PolarHBondContact O-N 3.13Š|
| 122 | L | 78.5 | Confident | 78.2 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | trans | -84.2 | 133.8 | 175.1 | -62.8 | 175.2 | 0 | 0 | 0 | 108.6 | E126 | L122-E126 HydrophobicContact CB-CB 4.28Å; L122-E126 HydrophobicContact CD2-CB 4.12Å | ||
| 123 | S | 88.8 | Confident | 79.6 | Confident | 56 Ų | 56 | 102.3 Ų | 102.3 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | trans | -64.8 | 161.6 | 164.5 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | E125 E126 M127 | S123-E125 PolarHBondContact O-N 2.92Å; S123-E126 VanDerWaalsContact CB-OE2 3.22Å; S123-E126 WeakPolarHBondContact CB-OE2 3.36Å; S123-E126 PolarHBondContact N-OE2 2.82Å; S123-E126 PolarHBondContact O-N 3.39Å; S123-E126 VanDerWaalsContact OG-CD 3.3Å; S123-E126 WeakPolarHBondContact OG-CG 3.46Å; S123-E126 PolarHBondContact OG-N 3.21Å; S123-E126 PolarHBondContact OG-OE2 3.08Å; S123-M127 PolarHBondContact O-N 2.82Å | ||
| 124 | N | 89.4 | Confident | 81.3 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 68% | 0.679 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.6 | -34.1 | 176.6 | -69 | -18 | 0 | 0 | 0 | 112.1 | I128 | N124-I128 WeakPolarHBondContact O-CD1 3.09Å; N124-I128 VanDerWaalsContact O-CG1 3.25Å; N124-I128 WeakPolarHBondContact O-CG1 3.35Å; N124-I128 PolarHBondContact O-N 3.22Å; N124-I128 VanDerWaalsContact O-N 3.11Å |
| 125 | E | 91.4 | Very high | 82.9 | Confident | 134 Ų | 134 | 96.5 Ų | 96.5 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -49 | 177.4 | -167.3 | 67.5 | -169.9 | 0 | 0 | 111.3 | S123 M127 I128 Q129 | S123-E125 PolarHBondContact O-N 2.92Å; E125-M127 VanDerWaalsContact C-N 3.27Å; E125-M127 PolarHBondContact O-N 3.34Å; E125-I128 PolarHBondContact O-N 2.91Å; E125-I128 VanDerWaalsContact O-N 3.11Å; E125-Q129 WeakPolarHBondContact O-CB 3.38Å; E125-Q129 PolarHBondContact O-N 2.89Å |
| 126 | E | 90.4 | Very high | 84.7 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | 178.1 | -68.1 | 160.3 | 128.2 | 0 | 0 | 112.1 | L122 S123 A130 | L122-E126 HydrophobicContact CB-CB 4.28Å; L122-E126 HydrophobicContact CD2-CB 4.12Å; S123-E126 VanDerWaalsContact CB-OE2 3.22Å; S123-E126 WeakPolarHBondContact CB-OE2 3.36Å; S123-E126 PolarHBondContact N-OE2 2.82Å; S123-E126 PolarHBondContact O-N 3.39Å; S123-E126 VanDerWaalsContact OG-CD 3.3Å; S123-E126 WeakPolarHBondContact OG-CG 3.46Å; S123-E126 PolarHBondContact OG-N 3.21Å; S123-E126 PolarHBondContact OG-OE2 3.08Å; E126-A130 VanDerWaalsContact O-CB 3.24Å; E126-A130 WeakPolarHBondContact O-CB 3.49Å; E126-A130 PolarHBondContact O-N 3.11Å |
| 127 | M | 89.1 | Confident | 86.5 | Confident | 111 Ų | 111 | 101.1 Ų | 101.1 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 173.6 | -175.6 | -175.2 | 64.7 | 0 | 0 | 112.2 | S123 E125 A131 | S123-M127 PolarHBondContact O-N 2.82Å; E125-M127 VanDerWaalsContact C-N 3.27Å; E125-M127 PolarHBondContact O-N 3.34Å; M127-A131 PolarHBondContact O-N 3.35Å |
| 128 | I | 91.4 | Very high | 88 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -49.8 | 174.5 | -68.4 | 162.1 | 0 | 0 | 0 | 109.4 | N124 E125 A130 A131 D132 | N124-I128 WeakPolarHBondContact O-CD1 3.09Å; N124-I128 VanDerWaalsContact O-CG1 3.25Å; N124-I128 WeakPolarHBondContact O-CG1 3.35Å; N124-I128 PolarHBondContact O-N 3.22Å; N124-I128 VanDerWaalsContact O-N 3.11Å; E125-I128 PolarHBondContact O-N 2.91Å; E125-I128 VanDerWaalsContact O-N 3.11Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 3.31Å; I128-A131 WeakPolarHBondContact O-CA 3.28Å; I128-A131 WeakPolarHBondContact O-CB 3.46Å; I128-A131 PolarHBondContact O-N 3.49Å; I128-D132 PolarHBondContact O-N 2.72Å |
| 129 | Q | 94.6 | Very high | 89.7 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 177.9 | -174.7 | -178.7 | -21.7 | 0 | 0 | 112.1 | E125 A131 D132 E133 | E125-Q129 WeakPolarHBondContact O-CB 3.38Å; E125-Q129 PolarHBondContact O-N 2.89Å; Q129-A131 VanDerWaalsContact C-N 3.26Å; Q129-A131 PolarHBondContact O-N 2.93Å; Q129-D132 PolarHBondContact O-N 2.98Å; Q129-E133 HydrophobicContact CG-CG 4.34Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.49Å; Q129-E133 PolarHBondContact NE2-OE1 2.89Å; Q129-E133 WeakPolarHBondContact O-CB 3.29Å; Q129-E133 WeakPolarHBondContact O-CG 3.35Å; Q129-E133 PolarHBondContact O-N 3.1Å |
| 130 | A | 91.5 | Very high | 91.3 | Very high | 48 Ų | 48 | 103.7 Ų | 103.7 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -29 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E126 I128 L134 | E126-A130 VanDerWaalsContact O-CB 3.24Å; E126-A130 WeakPolarHBondContact O-CB 3.49Å; E126-A130 PolarHBondContact O-N 3.11Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 3.31Å; A130-L134 WeakPolarHBondContact O-CB 3.15Å; A130-L134 PolarHBondContact O-N 3.09Å |
| 131 | A | 92.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.3 | -43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M127 I128 Q129 L134 E135 | M127-A131 PolarHBondContact O-N 3.35Å; I128-A131 WeakPolarHBondContact O-CA 3.28Å; I128-A131 WeakPolarHBondContact O-CB 3.46Å; I128-A131 PolarHBondContact O-N 3.49Å; Q129-A131 VanDerWaalsContact C-N 3.26Å; Q129-A131 PolarHBondContact O-N 2.93Å; A131-L134 PolarHBondContact O-N 2.86Å; A131-E135 PolarHBondContact O-N 3.02Å |
| 132 | D | 96.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 178.6 | -70.9 | -15.6 | 0 | 0 | 0 | 112 | I128 Q129 L134 E135 E136 | I128-D132 PolarHBondContact O-N 2.72Å; Q129-D132 PolarHBondContact O-N 2.98Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.02Å; D132-E135 PolarHBondContact O-N 3.11Å; D132-E136 WeakPolarHBondContact O-CB 3.37Å; D132-E136 PolarHBondContact O-N 3.16Å |
| 133 | E | 96.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 105 Ų | 105 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.4 | -74.4 | 177.7 | -169.6 | 0 | 0 | 111.8 | Q129 E136 M137 | Q129-E133 HydrophobicContact CG-CG 4.34Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.49Å; Q129-E133 PolarHBondContact NE2-OE1 2.89Å; Q129-E133 WeakPolarHBondContact O-CB 3.29Å; Q129-E133 WeakPolarHBondContact O-CG 3.35Å; Q129-E133 PolarHBondContact O-N 3.1Å; E133-E136 PolarHBondContact O-N 3.18Å; E133-M137 PolarHBondContact O-N 3.49Å |
| 134 | L | 96.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 108 Ų | 108 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 175.1 | 179.8 | 62.4 | 0 | 0 | 0 | 111.9 | A130 A131 D132 M137 K138 | A130-L134 WeakPolarHBondContact O-CB 3.15Å; A130-L134 PolarHBondContact O-N 3.09Å; A131-L134 PolarHBondContact O-N 2.86Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.02Å; L134-M137 HydrophobicContact CD1-CE 4.21Å; L134-K138 WeakPolarHBondContact O-CD 3.32Å; L134-K138 VanDerWaalsContact O-CG 3.28Å; L134-K138 WeakPolarHBondContact O-CG 3.43Å; L134-K138 PolarHBondContact O-N 3.08Å; L134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | E | 97 | Very high | 95.6 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | -41.7 | 171.7 | -175.8 | 167.1 | 155.4 | 0 | 0 | 111.4 | A131 D132 K138 R139 | A131-E135 PolarHBondContact O-N 3.02Å; D132-E135 PolarHBondContact O-N 3.11Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.17Å; E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 PolarHBondContact O-N 3.32Å |
| 136 | E | 97.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 174.8 | -179.5 | 139.9 | -112.6 | 0 | 0 | 112.1 | D132 E133 K138 R139 V140 | D132-E136 WeakPolarHBondContact O-CB 3.37Å; D132-E136 PolarHBondContact O-N 3.16Å; E133-E136 PolarHBondContact O-N 3.18Å; E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.19Å; E136-R139 WeakPolarHBondContact O-CA 3.35Å; E136-R139 VanDerWaalsContact O-CB 3.29Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.26Å; E136-R139 VanDerWaalsContact O-N 3.08Å; E136-R139 IonicContact OE1-CZ 3.81Å; E136-R139 IonicContact OE1-NH1 3.92Å; E136-R139 PolarHBondContact OE1-NH1 3.46Å; E136-R139 IonicContact OE1-NH2 2.89Å; E136-R139 PolarHBondContact OE1-NH2 3.39Å; E136-V140 HydrophobicContact CG-CG2 4.4Å; E136-V140 WeakPolarHBondContact O-CG2 3.39Å; E136-V140 PolarHBondContact O-N 3.23Å |
| 137 | M | 98.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 106 Ų | 106 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 174.5 | -77.3 | -166.2 | -74.5 | 0 | 0 | 112.3 | E133 L134 V140 R141 | E133-M137 PolarHBondContact O-N 3.49Å; L134-M137 HydrophobicContact CD1-CE 4.21Å; M137-V140 PolarHBondContact O-N 2.97Å; M137-R141 WeakPolarHBondContact O-CB 3.5Å; M137-R141 PolarHBondContact O-N 2.65Å |
| 138 | K | 98.4 | Very high | 96.5 | Very high | 127 Ų | 127 | 106.4 Ų | 106.4 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 174.4 | -72.4 | 165.9 | -176.3 | 166.4 | 0 | 111.6 | L134 E135 E136 R141 N142 | L134-K138 WeakPolarHBondContact O-CD 3.32Å; L134-K138 VanDerWaalsContact O-CG 3.28Å; L134-K138 WeakPolarHBondContact O-CG 3.43Å; L134-K138 PolarHBondContact O-N 3.08Å; L134-K138 VanDerWaalsContact O-N 3.11Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.17Å; E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.19Å; K138-R141 PolarHBondContact O-N 3.34Å; K138-N142 VanDerWaalsContact O-CB 3.27Å; K138-N142 WeakPolarHBondContact O-CB 3.45Å; K138-N142 PolarHBondContact O-N 3Å |
| 139 | R | 98.5 | Very high | 96.6 | Very high | 133 Ų | 133 | 109.5 Ų | 109.5 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 177.9 | -155.2 | -161.8 | -42.5 | 127.5 | 3 | 111.2 | E135 E136 N142 K143 | E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 PolarHBondContact O-N 3.32Å; E136-R139 WeakPolarHBondContact O-CA 3.35Å; E136-R139 VanDerWaalsContact O-CB 3.29Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.26Å; E136-R139 VanDerWaalsContact O-N 3.08Å; E136-R139 IonicContact OE1-CZ 3.81Å; E136-R139 IonicContact OE1-NH1 3.92Å; E136-R139 PolarHBondContact OE1-NH1 3.46Å; E136-R139 IonicContact OE1-NH2 2.89Å; E136-R139 PolarHBondContact OE1-NH2 3.39Å; R139-N142 PolarHBondContact O-N 2.86Å; R139-K143 WeakPolarHBondContact O-CB 3.24Å; R139-K143 PolarHBondContact O-N 3.1Å |
| 140 | V | 98.5 | Very high | 96.6 | Very high | 91 Ų | 91 | 112.1 Ų | 112.1 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | E136 M137 N142 K143 L144 | E136-V140 HydrophobicContact CG-CG2 4.4Å; E136-V140 WeakPolarHBondContact O-CG2 3.39Å; E136-V140 PolarHBondContact O-N 3.23Å; M137-V140 PolarHBondContact O-N 2.97Å; V140-N142 PolarHBondContact O-N 2.95Å; V140-K143 WeakPolarHBondContact O-CB 3.48Å; V140-K143 PolarHBondContact O-N 3.07Å; V140-L144 PolarHBondContact O-N 3.28Å |
| 141 | R | 98.2 | Very high | 96.5 | Very high | 188 Ų | 188 | 112.5 Ų | 112.5 | 71% | 0.709 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.1 | -49 | 173.8 | -178.3 | -171.9 | 176.2 | -147.1 | -0.1 | 111.4 | M137 K138 L144 M145 | M137-R141 WeakPolarHBondContact O-CB 3.5Å; M137-R141 PolarHBondContact O-N 2.65Å; K138-R141 PolarHBondContact O-N 3.34Å; R141-L144 PolarHBondContact O-N 3.24Å; R141-M145 WeakPolarHBondContact O-CG 3.43Å; R141-M145 PolarHBondContact O-N 3.49Å |
| 142 | N | 97.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | -178.9 | -168.6 | -0.8 | 0 | 0 | 0 | 111.4 | K138 R139 V140 L144 M145 I146 | K138-N142 VanDerWaalsContact O-CB 3.27Å; K138-N142 WeakPolarHBondContact O-CB 3.45Å; K138-N142 PolarHBondContact O-N 3Å; R139-N142 PolarHBondContact O-N 2.86Å; V140-N142 PolarHBondContact O-N 2.95Å; N142-L144 VanDerWaalsContact C-N 3.31Å; N142-L144 PolarHBondContact O-N 3.44Å; N142-M145 PolarHBondContact O-N 3Å; N142-I146 WeakPolarHBondContact O-CG1 3.36Å; N142-I146 PolarHBondContact O-N 3.11Å; N142-I146 VanDerWaalsContact OD1-CD1 3.27Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.24Å |
| 143 | K | 98.1 | Very high | 95.6 | Very high | 141 Ų | 141 | 118.8 Ų | 118.8 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53 | -48.2 | 173.3 | -175.7 | 77.9 | 173.6 | -161.7 | 0 | 111.6 | R139 V140 I146 M147 | R139-K143 WeakPolarHBondContact O-CB 3.24Å; R139-K143 PolarHBondContact O-N 3.1Å; V140-K143 WeakPolarHBondContact O-CB 3.48Å; V140-K143 PolarHBondContact O-N 3.07Å; K143-I146 PolarHBondContact O-N 3.11Å; K143-M147 HydrophobicContact CG-SD 4.14Å; K143-M147 WeakPolarHBondContact O-CB 3.32Å; K143-M147 VanDerWaalsContact O-CG 3.29Å; K143-M147 WeakPolarHBondContact O-CG 3.45Å; K143-M147 PolarHBondContact O-N 3.35Å |
| 144 | L | 97.8 | Very high | 94.7 | Very high | 118 Ų | 118 | 118.4 Ų | 118.4 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -43.1 | 179.8 | -171.9 | 64.7 | 0 | 0 | 0 | 112 | V140 R141 N142 M147 H148 | V140-L144 PolarHBondContact O-N 3.28Å; R141-L144 PolarHBondContact O-N 3.24Å; N142-L144 VanDerWaalsContact C-N 3.31Å; N142-L144 PolarHBondContact O-N 3.44Å; L144-M147 PolarHBondContact O-N 3.45Å; L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 3.25Å |
| 145 | M | 97.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 124.1 Ų | 124.1 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.8 | -46.2 | 174.8 | -71.9 | -63.7 | -67.7 | 0 | 0 | 111.9 | R141 N142 H148 W149 | R141-M145 WeakPolarHBondContact O-CG 3.43Å; R141-M145 PolarHBondContact O-N 3.49Å; N142-M145 PolarHBondContact O-N 3Å; M145-H148 PolarHBondContact O-N 3.27Å; M145-W149 VanDerWaalsContact O-CB 3.25Å; M145-W149 WeakPolarHBondContact O-CB 3.4Å; M145-W149 PolarHBondContact O-N 3.12Å |
| 146 | I | 96.8 | Very high | 93.3 | Very high | 88 Ų | 88 | 124 Ų | 124 | 45% | 0.451 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -43.7 | 176.6 | -68.5 | 167.5 | 0 | 0 | 0 | 111 | N142 K143 W149 K150 | N142-I146 WeakPolarHBondContact O-CG1 3.36Å; N142-I146 PolarHBondContact O-N 3.11Å; N142-I146 VanDerWaalsContact OD1-CD1 3.27Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.24Å; K143-I146 PolarHBondContact O-N 3.11Å; I146-W149 PolarHBondContact O-N 2.85Å; I146-K150 VanDerWaalsContact O-CB 3.3Å; I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 2.87Å |
| 147 | M | 97.4 | Very high | 92.3 | Very high | 113 Ų | 113 | 129.8 Ų | 129.8 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.7 | -48.2 | 177.2 | -76.3 | 174.8 | 61.6 | 0 | 0 | 111.5 | K143 L144 W149 K150 A151 | K143-M147 HydrophobicContact CG-SD 4.14Å; K143-M147 WeakPolarHBondContact O-CB 3.32Å; K143-M147 VanDerWaalsContact O-CG 3.29Å; K143-M147 WeakPolarHBondContact O-CG 3.45Å; K143-M147 PolarHBondContact O-N 3.35Å; L144-M147 PolarHBondContact O-N 3.45Å; M147-W149 PolarHBondContact O-N 2.91Å; M147-K150 PolarHBondContact O-N 3Å; M147-A151 WeakPolarHBondContact O-CB 3.37Å; M147-A151 PolarHBondContact O-N 3.22Å |
| 148 | H | 94.5 | Very high | 91.5 | Very high | 121 Ų | 121 | 129.9 Ų | 129.9 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 177.6 | -175.8 | 60.9 | 0 | 0 | 0 | 112.2 | L144 M145 A151 K152 | L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 3.25Å; M145-H148 PolarHBondContact O-N 3.27Å; H148-A151 PolarHBondContact O-N 3.32Å; H148-K152 WeakPolarHBondContact O-CB 3.5Å; H148-K152 WeakPolarHBondContact O-CG 3.22Å; H148-K152 PolarHBondContact O-N 3.25Å |
| 149 | W | 95.2 | Very high | 90.4 | Very high | 149 Ų | 149 | 135.4 Ų | 135.4 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.8 | -41.1 | 177.4 | -170.8 | 35.6 | 0 | 0 | 0 | 112.4 | M145 I146 M147 K152 R153 | M145-W149 VanDerWaalsContact O-CB 3.25Å; M145-W149 WeakPolarHBondContact O-CB 3.4Å; M145-W149 PolarHBondContact O-N 3.12Å; I146-W149 PolarHBondContact O-N 2.85Å; M147-W149 PolarHBondContact O-N 2.91Å; W149-K152 PolarHBondContact O-N 2.77Å; W149-R153 VanDerWaalsContact CE2-NH2 3.32Å; W149-R153 VanDerWaalsContact CZ2-CZ 3.48Å; W149-R153 PolarHBondContact O-N 2.78Å; W149-R153 VanDerWaalsContact O-N 3.11Å |
| 150 | K | 93.4 | Very high | 90 | Very high | 158 Ų | 158 | 135.5 Ų | 135.5 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.4 | -44.1 | 176.2 | -166 | 171.4 | -174.1 | 176.5 | 0 | 111.5 | I146 M147 K152 R153 S154 | I146-K150 VanDerWaalsContact O-CB 3.3Å; I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 2.87Å; M147-K150 PolarHBondContact O-N 3Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.33Å; K150-R153 PolarHBondContact O-N 2.78Å; K150-S154 PolarHBondContact O-N 2.77Å; K150-S154 VanDerWaalsContact O-N 3.16Å; K150-S154 PolarHBondContact O-OG 3.22Å |
| 151 | A | 90.4 | Very high | 89.5 | Confident | 55 Ų | 55 | 137.8 Ų | 137.8 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64.9 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M147 H148 S154 | M147-A151 WeakPolarHBondContact O-CB 3.37Å; M147-A151 PolarHBondContact O-N 3.22Å; H148-A151 PolarHBondContact O-N 3.32Å; A151-S154 PolarHBondContact O-OG 2.61Å |
| 152 | K | 86.1 | Confident | 89 | Confident | 124 Ų | 124 | 135.1 Ų | 135.1 | 54% | 0.539 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.4 | -37.8 | 173.4 | -83 | 176.2 | 159.1 | 171.5 | 0 | 112.6 | H148 W149 K150 | H148-K152 WeakPolarHBondContact O-CB 3.5Å; H148-K152 WeakPolarHBondContact O-CG 3.22Å; H148-K152 PolarHBondContact O-N 3.25Å; W149-K152 PolarHBondContact O-N 2.77Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.33Å |
| 153 | R | 82.4 | Confident | 88.5 | Confident | 161 Ų | 161 | 137.4 Ų | 137.4 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.4 | -26.8 | 177.8 | -78.6 | -165 | -179.4 | 115.1 | -17 | 114.7 | W149 K150 R155 | W149-R153 VanDerWaalsContact CE2-NH2 3.32Å; W149-R153 VanDerWaalsContact CZ2-CZ 3.48Å; W149-R153 PolarHBondContact O-N 2.78Å; W149-R153 VanDerWaalsContact O-N 3.11Å; K150-R153 PolarHBondContact O-N 2.78Å; R153-R155 PolarHBondContact O-N 3.47Å |
| 154 | S | 78.3 | Confident | 87.9 | Confident | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 16.3 | -179.1 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | K150 A151 P156 | K150-S154 PolarHBondContact O-N 2.77Å; K150-S154 VanDerWaalsContact O-N 3.16Å; K150-S154 PolarHBondContact O-OG 3.22Å; A151-S154 PolarHBondContact O-OG 2.61Å; S154-P156 WeakPolarHBondContact O-CD 3.35Å |
| 155 | R | 80.1 | Confident | 87.3 | Confident | 202 Ų | 202 | 138.5 Ų | 138.5 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.4 | 172.6 | -74.1 | -174.3 | 170.3 | -163.3 | -4.4 | 109 | R153 | R153-R155 PolarHBondContact O-N 3.47Š|
| 156 | P | 83.2 | Confident | 86.5 | Confident | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 150.8 | 170.3 | 28.3 | -33.8 | 0 | 0 | 0 | 109.5 | S154 | S154-P156 WeakPolarHBondContact O-CD 3.35Š|
| 157 | Y | 77.3 | Confident | 85.8 | Confident | 217 Ų | 217 | 144.4 Ų | 144.4 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.2 | 169.7 | -72.7 | -83.4 | 0 | 0 | 0 | 109.5 | ||
| 158 | P | 81.9 | Confident | 84.8 | Confident | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141.8 | 172.7 | 26.9 | -33.5 | 0 | 0 | 0 | 110 | ||
| 159 | I | 74.7 | Confident | 83.9 | Confident | 242 Ų | 242 | 149.4 Ų | 149.4 | 100% | 1.241 | 72% | 0.721 | S | S | * | * | trans | -100.5 | 0 | 179.9 | -51 | 174.7 | 0 | 0 | 0 | 108.3 |
Retrieved 159 of 159 residues in 86.2 ms
(Link to these results)