| 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 | 42.8 | Very low | 44.6 | Very low | 232 Ų | 232 | 149.2 Ų | 149.2 | 100% | 1.143 | 85% | 0.845 | S | S | * | * | 0 | 88.9 | 0 | -59.3 | 166.8 | 102.9 | 0 | 0 | 104.9 | |||||
| 2 | S | 41.7 | Very low | 44.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | 61.2 | 118.3 | 81.1 | -43.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | G | 42.3 | Very low | 44.6 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | cis | -158.4 | -159.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | I | 45 | Very low | 44.7 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | cis | -152.6 | 176.6 | -1.7 | -114.3 | 152.2 | 0 | 0 | 0 | 108.2 | ||||
| 5 | T | 52 | Low | 44.8 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -108.5 | 149.4 | -165 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | T | 50.7 | Low | 44.9 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -163.5 | 127.2 | 145.3 | -1.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 7 | G | 42.1 | Very low | 44.4 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | 93.3 | 123.7 | 50.3 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 8 | R | 41.8 | Very low | 44.4 | Very low | 254 Ų | 254 | 142.3 Ų | 142.3 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | cis | -163.7 | 151.1 | 31.1 | -164.9 | 177.2 | -171.4 | 162.6 | 0.3 | 111.5 | ||||
| 9 | Q | 43.6 | Very low | 43.9 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -92.8 | -166.1 | 175.7 | -113.3 | -169.9 | -42.7 | 0 | 0 | 111.1 | ||||
| 10 | P | 47 | Very low | 43.8 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 60% | 0.604 | 81% | 0.81 | S | S | * | * | cis | -138.2 | -159.7 | -39.1 | 34.7 | -12.9 | 0 | 0 | 0 | 112.9 | ||||
| 11 | M | 41.4 | Very low | 43.6 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | 71.5 | 149.3 | 165.1 | -58.1 | -66.3 | -162.3 | 0 | 0 | 116.8 | ||||
| 12 | A | 43.4 | Very low | 43.4 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | cis | 150.8 | 123.6 | -17.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 13 | D | 46 | Very low | 43.2 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -171.1 | 142.7 | 153.5 | -97.2 | -27.8 | 0 | 0 | 0 | 110.8 | ||||
| 14 | E | 45.6 | Very low | 43 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -89.8 | 158.1 | 176.1 | -105.8 | -86.8 | 137 | 0 | 0 | 109.7 | V16 | E14-V16 WeakPolarHBondContact OE2-CG2 3.41Å; E14-V16 PolarHBondContact OE2-N 2.88Å | ||
| 15 | P | 46.6 | Very low | 42.7 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -154.8 | 144.3 | 82.9 | 38.2 | -17.5 | 0 | 0 | 0 | 119 | |||||
| 16 | V | 47 | Very low | 42 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | 34.3 | 131.6 | 119.7 | -172.1 | 0 | 0 | 0 | 0 | 121.2 | E14 | E14-V16 WeakPolarHBondContact OE2-CG2 3.41Å; E14-V16 PolarHBondContact OE2-N 2.88Å | |||
| 17 | E | 35.3 | Very low | 41.4 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 60.4 | 120.5 | 160.8 | -77.8 | 178.6 | 116.1 | 0 | 0 | 120.3 | ||||
| 18 | V | 45.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -157.7 | 142 | 101.8 | 160.7 | 0 | 0 | 0 | 0 | 108.3 | D20 | V18-D20 WeakPolarHBondContact CG1-OD2 3.26Š| |||
| 19 | Q | 34.1 | Very low | 41.4 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -85.8 | 120 | 165 | -71.2 | 176.2 | -34.5 | 0 | 0 | 109.2 | ||||
| 20 | D | 43.2 | Very low | 41.8 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -125 | 109.7 | 165.3 | -79.2 | -48.4 | 0 | 0 | 0 | 110.6 | V18 | V18-D20 WeakPolarHBondContact CG1-OD2 3.26Š| ||
| 21 | E | 37.9 | Very low | 41.3 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -87.6 | 93.6 | 174.4 | 179.3 | -172.9 | 136.4 | 0 | 0 | 108.4 | ||||
| 22 | E | 40 | Very low | 41.4 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -125 | 114.2 | 173.5 | -163.5 | 149 | 136.4 | 0 | 0 | 114.3 | ||||
| 23 | T | 36.2 | Very low | 41.2 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 120.5 | 174.5 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 24 | H | 39.4 | Very low | 40.9 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -106.8 | 99 | 157.7 | -156.7 | -68.4 | 0 | 0 | 0 | 110.9 | ||||
| 25 | R | 38.2 | Very low | 40.5 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 70% | 0.698 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 159.4 | -179.7 | -68.7 | -169.4 | -171.2 | -166.9 | 3.8 | 113.1 | ||||
| 26 | D | 37 | Very low | 40 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 46.7 | 86.6 | 141.3 | -52.3 | -24.8 | 0 | 0 | 0 | 118.7 | G28 | D26-G28 PolarHBondContact O-N 3.41Å; D26-G28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | I | 38.3 | Very low | 39.7 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 63.7 | 151.2 | -51.7 | 177.6 | 0 | 0 | 0 | 108.1 | ||||
| 28 | G | 38.7 | Very low | 39.8 | Very low | 55 Ų | 55 | 151.7 Ų | 151.7 | 57% | 0.567 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D26 | D26-G28 PolarHBondContact O-N 3.41Å; D26-G28 VanDerWaalsContact O-N 3.13Å |
| 29 | W | 45.9 | Very low | 39.6 | Very low | 259 Ų | 259 | 151.5 Ų | 151.5 | 98% | 0.981 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 137.6 | -179 | -71.5 | 80.8 | 0 | 0 | 0 | 111.4 | ||
| 30 | I | 51.1 | Low | 39.5 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.4 | -167.2 | -63.9 | 162.7 | 0 | 0 | 0 | 112.2 | ||
| 31 | D | 37.3 | Very low | 39.3 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.2 | -179.5 | -116.3 | -33.1 | 0 | 0 | 0 | 113.7 | T33 | D31-T33 VanDerWaalsContact C-N 3.34Å; D31-T33 HydrophobicContact CB-CG2 4.42Å; D31-T33 PolarHBondContact O-N 3.32Å; D31-T33 VanDerWaalsContact O-N 3.07Å |
| 32 | L | 43.6 | Very low | 39.4 | Very low | 178 Ų | 178 | 141 Ų | 141 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -83 | 74.3 | 176 | -74.7 | 160.8 | 0 | 0 | 0 | 110.5 | ||||
| 33 | T | 39.1 | Very low | 40 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | trans | -91.1 | 147.7 | 175.4 | 51 | 0 | 0 | 0 | 0 | 113.1 | D31 | D31-T33 VanDerWaalsContact C-N 3.34Å; D31-T33 HydrophobicContact CB-CG2 4.42Å; D31-T33 PolarHBondContact O-N 3.32Å; D31-T33 VanDerWaalsContact O-N 3.07Å | ||
| 34 | T | 39.1 | Very low | 40.6 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 77.5 | 62.6 | 170.8 | -25 | 0 | 0 | 0 | 0 | 116 | D36 | T34-D36 VanDerWaalsContact C-N 3.26Å; T34-D36 PolarHBondContact O-N 3.44Å | ||
| 35 | G | 37.1 | Very low | 41.2 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -82.8 | 49.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S37 | G35-S37 VanDerWaalsContact C-N 3.3Å; G35-S37 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact O-N 3.08Å | ||
| 36 | D | 36.8 | Very low | 41.4 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -81.2 | 73.9 | 172.1 | -73.1 | -33.7 | 0 | 0 | 0 | 110.6 | T34 | T34-D36 VanDerWaalsContact C-N 3.26Å; T34-D36 PolarHBondContact O-N 3.44Å | ||
| 37 | S | 40.7 | Very low | 42.3 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -151.5 | 107.1 | 162.3 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | G35 C39 | G35-S37 VanDerWaalsContact C-N 3.3Å; G35-S37 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact O-N 3.08Å; S37-C39 PolarHBondContact O-N 3.49Å | ||
| 38 | E | 36 | Very low | 42.5 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -63.3 | 99.9 | 166.5 | -64.5 | 169.2 | 100.3 | 0 | 0 | 110.2 | ||||
| 39 | C | 42.2 | Very low | 43.4 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 93.3 | 165.1 | -101.4 | 0 | 0 | 0 | 0 | 109.8 | S37 S41 | S37-C39 PolarHBondContact O-N 3.49Å; C39-S41 PolarHBondContact O-N 3.05Å | ||
| 40 | G | 32.3 | Very low | 44 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -62.2 | 129.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 41 | S | 37.8 | Very low | 44.1 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -141.7 | 84.3 | 162.5 | -78.5 | 0 | 0 | 0 | 0 | 108.2 | C39 F43 | C39-S41 PolarHBondContact O-N 3.05Å; S41-F43 PolarHBondContact O-N 3.41Å | ||
| 42 | S | 40.2 | Very low | 45.1 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -67 | 117.7 | 170.3 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 43 | F | 53.1 | Low | 45.6 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | trans | -81.2 | 118.2 | 168.3 | 78 | -69.3 | 0 | 0 | 0 | 108.6 | S41 L45 | S41-F43 PolarHBondContact O-N 3.41Å; F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 3.69Å; F43-L45 HydrophobicContact CE2-CD2 4.31Å; F43-L45 HydrophobicContact CE2-CG 3.58Å; F43-L45 HydrophobicContact CZ-CD1 4.22Å; F43-L45 PolarHBondContact O-N 3.29Å | ||
| 44 | T | 49.1 | Very low | 46.3 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -81.5 | 107 | 169.7 | 36.4 | 0 | 0 | 0 | 0 | 109 | L46 | T44-L46 PolarHBondContact O-N 3.38Š| ||
| 45 | L | 50.8 | Low | 47.1 | Very low | 130 Ų | 130 | 112.5 Ų | 112.5 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | trans | -63.8 | 104.1 | 163.1 | -87.8 | 164.2 | 0 | 0 | 0 | 108.6 | F43 T47 | F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 3.69Å; F43-L45 HydrophobicContact CE2-CD2 4.31Å; F43-L45 HydrophobicContact CE2-CG 3.58Å; F43-L45 HydrophobicContact CZ-CD1 4.22Å; F43-L45 PolarHBondContact O-N 3.29Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å | ||
| 46 | L | 43.7 | Very low | 48.1 | Very low | 168 Ų | 168 | 115.1 Ų | 115.1 | 88% | 0.88 | 69% | 0.688 | S | S | * | * | trans | -62.2 | 96 | 164.8 | -74.9 | 166 | 0 | 0 | 0 | 108.1 | T44 | T44-L46 PolarHBondContact O-N 3.38Š| ||
| 47 | T | 54.6 | Low | 48.8 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | trans | -73.9 | 124.5 | 167.6 | 38.8 | 0 | 0 | 0 | 0 | 108.9 | L45 S49 | L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å; T47-S49 PolarHBondContact O-N 3.16Å | ||
| 48 | D | 42.5 | Very low | 49.4 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -51.3 | 122.3 | -179.8 | -110 | -44.7 | 0 | 0 | 0 | 111 | N50 A51 | D48-N50 PolarHBondContact O-N 2.77Å; D48-A51 PolarHBondContact O-N 3.12Å | ||
| 49 | S | 59.2 | Low | 50.3 | Low | 100 Ų | 100 | 113.1 Ų | 113.1 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.7 | -17 | -172.6 | -51.2 | 0 | 0 | 0 | 0 | 113.5 | T47 | T47-S49 PolarHBondContact O-N 3.16Å |
| 50 | N | 57 | Low | 50.7 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75 | -31 | 174.8 | -66.6 | -22.9 | 0 | 0 | 0 | 113.2 | D48 A53 E54 | D48-N50 PolarHBondContact O-N 2.77Å; N50-A53 PolarHBondContact O-N 3.31Å; N50-E54 PolarHBondContact O-N 2.76Å |
| 51 | A | 53.8 | Low | 51.6 | Low | 65 Ų | 65 | 112.6 Ų | 112.6 | 54% | 0.537 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.1 | -32.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D48 A55 | D48-A51 PolarHBondContact O-N 3.12Å; A51-A55 PolarHBondContact O-N 2.86Å |
| 52 | V | 57.7 | Low | 52.1 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 43% | 0.43 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71.1 | -36.5 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 111 | A55 Q56 | V52-A55 PolarHBondContact O-N 3.31Å; V52-Q56 VanDerWaalsContact O-CB 3.3Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 PolarHBondContact O-N 3.06Å |
| 53 | A | 54.9 | Low | 52.1 | Low | 51 Ų | 51 | 111.9 Ų | 111.9 | 42% | 0.421 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | N50 Q56 Q57 | N50-A53 PolarHBondContact O-N 3.31Å; A53-Q56 PolarHBondContact O-N 2.96Å; A53-Q57 PolarHBondContact O-N 3.43Å |
| 54 | E | 54.2 | Low | 51.4 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -66.3 | -38.5 | 175.1 | -84.4 | -156.1 | 100.4 | 0 | 0 | 112.8 | N50 Q56 R58 | N50-E54 PolarHBondContact O-N 2.76Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.5Å; E54-R58 PolarHBondContact O-N 2.93Å; E54-R58 VanDerWaalsContact O-N 3.16Å; E54-R58 IonicContact OE1-CZ 3.55Å; E54-R58 IonicContact OE1-NH1 3.49Å; E54-R58 PolarHBondContact OE1-NH1 3.3Å; E54-R58 IonicContact OE1-NH2 2.88Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å |
| 55 | A | 56 | Low | 51.2 | Low | 61 Ų | 61 | 116 Ų | 116 | 50% | 0.504 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.3 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A51 V52 S59 | A51-A55 PolarHBondContact O-N 2.86Å; V52-A55 PolarHBondContact O-N 3.31Å; A55-S59 PolarHBondContact O-N 2.84Å; A55-S59 PolarHBondContact O-OG 2.95Å |
| 56 | Q | 56.3 | Low | 50.5 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.4 | -29.7 | -178.6 | -160.8 | 161.5 | -23.7 | 0 | 0 | 112.9 | V52 A53 E54 S59 S60 | V52-Q56 VanDerWaalsContact O-CB 3.3Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 PolarHBondContact O-N 3.06Å; A53-Q56 PolarHBondContact O-N 2.96Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.5Å; Q56-S59 WeakPolarHBondContact CA-OG 3.21Å; Q56-S59 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 3.25Å |
| 57 | Q | 51.6 | Low | 50.1 | Low | 149 Ų | 149 | 109.1 Ų | 109.1 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.7 | -36.8 | 170.2 | -81.8 | -173.5 | -44.7 | 0 | 0 | 113.1 | A53 S59 S60 | A53-Q57 PolarHBondContact O-N 3.43Å; Q57-S59 VanDerWaalsContact C-N 3.29Å; Q57-S59 PolarHBondContact O-N 2.83Å; Q57-S60 PolarHBondContact O-OG 3.21Å |
| 58 | R | 54.8 | Low | 49.5 | Very low | 179 Ų | 179 | 108.5 Ų | 108.5 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.7 | -22.1 | 177.1 | -71.7 | -175.1 | -179.1 | 112.1 | 14.8 | 113.6 | E54 | E54-R58 PolarHBondContact O-N 2.93Å; E54-R58 VanDerWaalsContact O-N 3.16Å; E54-R58 IonicContact OE1-CZ 3.55Å; E54-R58 IonicContact OE1-NH1 3.49Å; E54-R58 PolarHBondContact OE1-NH1 3.3Å; E54-R58 IonicContact OE1-NH2 2.88Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å |
| 59 | S | 53.7 | Low | 49.4 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -96.3 | -8.1 | -178.1 | 45.8 | 0 | 0 | 0 | 0 | 114.9 | A55 Q56 Q57 | A55-S59 PolarHBondContact O-N 2.84Å; A55-S59 PolarHBondContact O-OG 2.95Å; Q56-S59 WeakPolarHBondContact CA-OG 3.21Å; Q56-S59 PolarHBondContact O-OG 3.39Å; Q57-S59 VanDerWaalsContact C-N 3.29Å; Q57-S59 PolarHBondContact O-N 2.83Å |
| 60 | S | 52.1 | Low | 48.7 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -90.4 | 1.5 | 177.4 | 31.8 | 0 | 0 | 0 | 0 | 114.4 | Q56 Q57 | Q56-S60 PolarHBondContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 3.25Å; Q57-S60 PolarHBondContact O-OG 3.21Å |
| 61 | A | 50.1 | Low | 48 | Very low | 90 Ų | 90 | 116.5 Ų | 116.5 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.5 | -0.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 62 | S | 49.4 | Very low | 47.9 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -136.1 | 140 | -178 | 67.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 63 | S | 39.4 | Very low | 47 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | 66.9 | 87.5 | 166.3 | -158.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 64 | C | 39 | Very low | 46.7 | Very low | 117 Ų | 117 | 128 Ų | 128 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -60.6 | 166.7 | 159.6 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 65 | R | 44 | Very low | 46.2 | Very low | 253 Ų | 253 | 128 Ų | 128 | 96% | 0.955 | 74% | 0.742 | S | S | * | * | trans | 81.5 | 117.9 | 167.3 | -58.1 | -178.5 | 168.6 | -141.6 | -3.1 | 117.6 | ||||
| 66 | G | 36.9 | Very low | 45.7 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | 122.1 | 65.1 | 124.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 67 | G | 35 | Very low | 44.9 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 72 | 174 | 136.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 68 | S | 41.2 | Very low | 44.7 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 100 | 174.5 | -145.1 | 0 | 0 | 0 | 0 | 117.7 | Q70 | S68-Q70 PolarHBondContact O-N 3.42Š| ||
| 69 | R | 41.3 | Very low | 44.6 | Very low | 254 Ų | 254 | 126.1 Ų | 126.1 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | trans | -63.5 | 94.8 | 159.5 | -69.3 | 169.8 | 160.7 | -139.3 | -2.3 | 109.6 | ||||
| 70 | Q | 43.4 | Very low | 44.6 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -130.2 | 105.1 | 167.1 | -70.5 | -173.4 | 8.1 | 0 | 0 | 110 | S68 | S68-Q70 PolarHBondContact O-N 3.42Š| ||
| 71 | S | 42.8 | Very low | 44.8 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -58.7 | 134.3 | 166.5 | -49.4 | 0 | 0 | 0 | 0 | 109 | K73 | S71-K73 PolarHBondContact O-N 3.4Š| ||
| 72 | P | 52.4 | Low | 45.3 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -68.4 | 105.1 | -179.3 | 27 | -33.3 | 0 | 0 | 0 | 110.4 | S74 | P72-S74 PolarHBondContact O-N 2.82Š| ||
| 73 | K | 38.6 | Very low | 45.7 | Very low | 198 Ų | 198 | 134 Ų | 134 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -74.5 | 97.6 | 157.3 | -84.2 | -177.8 | 173.2 | 178.2 | 0 | 108 | S71 | S71-K73 PolarHBondContact O-N 3.4Š| ||
| 74 | S | 47.7 | Very low | 47.2 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -99.7 | 103.6 | 153.4 | 177.9 | 0 | 0 | 0 | 0 | 105.6 | P72 | P72-S74 PolarHBondContact O-N 2.82Š| ||
| 75 | T | 44.2 | Very low | 48.9 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | 51.7 | 96.7 | 62.6 | 67.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 76 | Q | 45 | Very low | 50.7 | Low | 189 Ų | 189 | 121 Ų | 121 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 79.8 | 149.8 | 154.6 | -54 | -179.5 | 21.7 | 0 | 0 | 116.9 | A78 | Q76-A78 PolarHBondContact O-N 3.31Š|
| 77 | S | 40.2 | Very low | 52.8 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -82.1 | 103 | -162.4 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | V79 | S77-V79 PolarHBondContact O-N 2.92Š| ||
| 78 | A | 47.6 | Very low | 55.1 | Low | 72 Ų | 72 | 124.8 Ų | 124.8 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | trans | -83.4 | 28 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q76 V80 E81 L82 | Q76-A78 PolarHBondContact O-N 3.31Å; A78-V80 PolarHBondContact O-N 2.81Å; A78-E81 PolarHBondContact O-N 3.49Å; A78-L82 PolarHBondContact O-N 2.66Å | ||
| 79 | V | 53.1 | Low | 57 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.9 | -29.4 | -175.2 | 177.3 | 0 | 0 | 0 | 0 | 112 | S77 | S77-V79 PolarHBondContact O-N 2.92Å |
| 80 | V | 53.9 | Low | 59.1 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.7 | -21.9 | -175.9 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | A78 | A78-V80 PolarHBondContact O-N 2.81Å |
| 81 | E | 55.7 | Low | 61 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -95.6 | -6.9 | 174.8 | -66.6 | -169.5 | 152 | 0 | 0 | 113.2 | A78 S84 S85 | A78-E81 PolarHBondContact O-N 3.49Å; E81-S84 PolarHBondContact O-OG 2.99Å; E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.2Å |
| 82 | L | 59.4 | Low | 62.8 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.9 | -34.1 | -179.6 | -173.1 | 62.2 | 0 | 0 | 0 | 112.4 | A78 S85 L86 | A78-L82 PolarHBondContact O-N 2.66Å; L82-S85 PolarHBondContact O-N 3.16Å; L82-L86 HydrophobicContact CD1-CG 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.33Å |
| 83 | E | 59.9 | Low | 64.2 | Low | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.8 | -48 | 178.6 | -70.7 | -160.6 | 139.8 | 0 | 0 | 112.1 | S85 L86 E87 | E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 2.82Å; E83-L86 CarbonylContact O-C 3.56Å; E83-L86 PolarHBondContact O-N 3.38Å; E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 2.88Å |
| 84 | S | 69.2 | Low | 66.3 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 42% | 0.42 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -31.6 | 176.6 | 63 | 0 | 0 | 0 | 0 | 112.4 | E81 N88 | E81-S84 PolarHBondContact O-OG 2.99Å; S84-N88 PolarHBondContact O-N 3.47Å; S84-N88 PolarHBondContact O-ND2 3.42Å |
| 85 | S | 76.1 | Confident | 67.8 | Low | 62 Ų | 62 | 112.4 Ų | 112.4 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.8 | -44.9 | 169.6 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | E81 L82 E83 N88 V89 | E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.2Å; L82-S85 PolarHBondContact O-N 3.16Å; E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 2.82Å; S85-N88 PolarHBondContact O-N 2.87Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 2.81Å |
| 86 | L | 81.3 | Confident | 69.3 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 51% | 0.508 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -36.8 | 177.3 | -85.5 | 168.5 | 0 | 0 | 0 | 112.9 | L82 E83 V89 K90 | L82-L86 HydrophobicContact CD1-CG 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.33Å; E83-L86 CarbonylContact O-C 3.56Å; E83-L86 PolarHBondContact O-N 3.38Å; L86-V89 PolarHBondContact O-N 3.35Å; L86-K90 VanDerWaalsContact O-CB 3.23Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å |
| 87 | E | 81.6 | Confident | 70.5 | Confident | 135 Ų | 135 | 109.3 Ų | 109.3 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -43.9 | 173.1 | -74.4 | -174.5 | 154.9 | 0 | 0 | 111.4 | E83 K90 Y91 | E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 2.88Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 2.9Å |
| 88 | N | 81.6 | Confident | 71.9 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -42.7 | 173.6 | -78.5 | -53.1 | 0 | 0 | 0 | 111.8 | S84 S85 Y91 H92 | S84-N88 PolarHBondContact O-N 3.47Å; S84-N88 PolarHBondContact O-ND2 3.42Å; S85-N88 PolarHBondContact O-N 2.87Å; N88-Y91 PolarHBondContact O-N 2.82Å; N88-H92 WeakPolarHBondContact O-CB 3.22Å; N88-H92 PolarHBondContact O-CD2 3.06Å; N88-H92 VanDerWaalsContact O-CD2 3.3Å; N88-H92 PolarHBondContact O-N 3.31Å |
| 89 | V | 83 | Confident | 72.9 | Confident | 73 Ų | 73 | 107.9 Ų | 107.9 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -44.2 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | S85 L86 H92 L93 | S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 2.81Å; L86-V89 PolarHBondContact O-N 3.35Å; V89-H92 PolarHBondContact O-N 3.19Å; V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.82Å |
| 90 | K | 84.5 | Confident | 73.3 | Confident | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 175.6 | -179.8 | -178.2 | 177.5 | -177 | 0 | 111.1 | L86 E87 L93 V94 | L86-K90 VanDerWaalsContact O-CB 3.23Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å; E87-K90 PolarHBondContact O-N 3.34Å; K90-L93 PolarHBondContact O-N 3.31Å; K90-V94 WeakPolarHBondContact O-CB 3.3Å; K90-V94 VanDerWaalsContact O-CG2 3.26Å; K90-V94 WeakPolarHBondContact O-CG2 3.39Å; K90-V94 PolarHBondContact O-N 3.25Å |
| 91 | Y | 84.1 | Confident | 73.5 | Confident | 138 Ų | 138 | 110.3 Ų | 110.3 | 54% | 0.541 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.4 | -179.1 | -95.4 | 0 | 0 | 0 | 111.5 | E87 N88 V94 R95 | E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 2.9Å; N88-Y91 PolarHBondContact O-N 2.82Å; Y91-V94 PolarHBondContact O-N 3.3Å; Y91-R95 WeakPolarHBondContact O-CB 3.23Å; Y91-R95 PolarHBondContact O-N 3.46Å |
| 92 | H | 80.1 | Confident | 73.6 | Confident | 106 Ų | 106 | 111.2 Ų | 111.2 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -43.5 | 176.3 | -92.1 | -84.9 | 0 | 0 | 0 | 112.7 | N88 V89 R95 Q96 | N88-H92 WeakPolarHBondContact O-CB 3.22Å; N88-H92 PolarHBondContact O-CD2 3.06Å; N88-H92 VanDerWaalsContact O-CD2 3.3Å; N88-H92 PolarHBondContact O-N 3.31Å; V89-H92 PolarHBondContact O-N 3.19Å; H92-R95 PolarHBondContact O-N 2.79Å; H92-Q96 WeakPolarHBondContact O-CB 3.36Å; H92-Q96 WeakPolarHBondContact O-CG 3.4Å; H92-Q96 PolarHBondContact O-N 3.23Å |
| 93 | L | 82.1 | Confident | 73.7 | Confident | 78 Ų | 78 | 114.6 Ų | 114.6 | 41% | 0.408 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -49.1 | 175.9 | -74.1 | 170.1 | 0 | 0 | 0 | 111.2 | V89 K90 R95 Q96 F97 | V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.82Å; K90-L93 PolarHBondContact O-N 3.31Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.43Å; L93-Q96 PolarHBondContact O-N 2.98Å; L93-Q96 VanDerWaalsContact O-N 3.16Å; L93-F97 HydrophobicContact CB-CD2 4.48Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.33Å; L93-F97 PolarHBondContact O-N 2.88Å |
| 94 | V | 81.8 | Confident | 73.8 | Confident | 94 Ų | 94 | 109.1 Ų | 109.1 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | K90 Y91 S98 | K90-V94 WeakPolarHBondContact O-CB 3.3Å; K90-V94 VanDerWaalsContact O-CG2 3.26Å; K90-V94 WeakPolarHBondContact O-CG2 3.39Å; K90-V94 PolarHBondContact O-N 3.25Å; Y91-V94 PolarHBondContact O-N 3.3Å; V94-S98 VanDerWaalsContact O-CB 3.22Å; V94-S98 WeakPolarHBondContact O-CB 3.33Å; V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 2.93Å |
| 95 | R | 80.4 | Confident | 73.3 | Confident | 152 Ų | 152 | 110.3 Ų | 110.3 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -37.9 | 176.4 | -167.1 | 174.4 | -177.5 | -170.5 | 1.9 | 112.8 | Y91 H92 L93 S98 A99 | Y91-R95 WeakPolarHBondContact O-CB 3.23Å; Y91-R95 PolarHBondContact O-N 3.46Å; H92-R95 PolarHBondContact O-N 2.79Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.43Å; R95-S98 WeakPolarHBondContact CA-OG 3.43Å; R95-S98 PolarHBondContact O-OG 3.43Å; R95-S98 VanDerWaalsContact O-OG 3.12Å; R95-A99 VanDerWaalsContact O-CB 3.26Å; R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.36Å |
| 96 | Q | 74.8 | Confident | 73.1 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 51% | 0.514 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.5 | -48.4 | 174.9 | -78.5 | -177.9 | -20.3 | 0 | 0 | 112 | H92 L93 S98 A99 Q100 | H92-Q96 WeakPolarHBondContact O-CB 3.36Å; H92-Q96 WeakPolarHBondContact O-CG 3.4Å; H92-Q96 PolarHBondContact O-N 3.23Å; L93-Q96 PolarHBondContact O-N 2.98Å; L93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-S98 PolarHBondContact O-N 3.22Å; Q96-A99 PolarHBondContact O-N 2.99Å; Q96-Q100 VanDerWaalsContact O-CB 3.3Å; Q96-Q100 WeakPolarHBondContact O-CB 3.46Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.26Å; Q96-Q100 PolarHBondContact O-N 2.66Å |
| 97 | F | 69.4 | Low | 72.2 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 53% | 0.526 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -34.5 | 178.5 | -83.4 | -72.8 | 0 | 0 | 0 | 112.9 | L93 Q100 R101 | L93-F97 HydrophobicContact CB-CD2 4.48Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.33Å; L93-F97 PolarHBondContact O-N 2.88Å; F97-Q100 CarbonylContact O-C 3.53Å; F97-Q100 PolarHBondContact O-N 2.8Å; F97-R101 PolarHBondContact O-N 3.03Å; F97-R101 VanDerWaalsContact O-N 3.1Å |
| 98 | S | 70 | Confident | 71.3 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 172.3 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | V94 R95 Q96 Q100 R101 | V94-S98 VanDerWaalsContact O-CB 3.22Å; V94-S98 WeakPolarHBondContact O-CB 3.33Å; V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 2.93Å; R95-S98 WeakPolarHBondContact CA-OG 3.43Å; R95-S98 PolarHBondContact O-OG 3.43Å; R95-S98 VanDerWaalsContact O-OG 3.12Å; Q96-S98 PolarHBondContact O-N 3.22Å; S98-Q100 VanDerWaalsContact C-N 3.29Å; S98-Q100 PolarHBondContact O-N 3.03Å; S98-R101 WeakPolarHBondContact O-CB 3.43Å; S98-R101 PolarHBondContact O-N 3.38Å |
| 99 | A | 68.3 | Low | 70.2 | Confident | 84 Ų | 84 | 112.5 Ų | 112.5 | 69% | 0.694 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65 | -30.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R95 Q96 | R95-A99 VanDerWaalsContact O-CB 3.26Å; R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.36Å; Q96-A99 PolarHBondContact O-N 2.99Å |
| 100 | Q | 62.8 | Low | 69.1 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | 2.6 | 175.9 | -73 | -179.9 | -9.3 | 0 | 0 | 114.3 | Q96 F97 S98 L102 K103 | Q96-Q100 VanDerWaalsContact O-CB 3.3Å; Q96-Q100 WeakPolarHBondContact O-CB 3.46Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.26Å; Q96-Q100 PolarHBondContact O-N 2.66Å; F97-Q100 CarbonylContact O-C 3.53Å; F97-Q100 PolarHBondContact O-N 2.8Å; S98-Q100 VanDerWaalsContact C-N 3.29Å; S98-Q100 PolarHBondContact O-N 3.03Å; Q100-L102 PolarHBondContact O-N 3.29Å; Q100-K103 PolarHBondContact O-N 3.28Å |
| 101 | R | 57.4 | Low | 68.1 | Low | 205 Ų | 205 | 115.3 Ų | 115.3 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -26.5 | 179.9 | -94.9 | -170.8 | 171 | -155.6 | -0.7 | 114.1 | F97 S98 | F97-R101 PolarHBondContact O-N 3.03Å; F97-R101 VanDerWaalsContact O-N 3.1Å; S98-R101 WeakPolarHBondContact O-CB 3.43Å; S98-R101 PolarHBondContact O-N 3.38Å |
| 102 | L | 57.7 | Low | 66.9 | Low | 169 Ų | 169 | 112.4 Ų | 112.4 | 89% | 0.885 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -4.5 | 178.4 | -60.9 | 174.6 | 0 | 0 | 0 | 114.6 | Q100 | Q100-L102 PolarHBondContact O-N 3.29Š|
| 103 | K | 61.8 | Low | 65.7 | Low | 170 Ų | 170 | 115 Ų | 115 | 74% | 0.739 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -1.1 | 179.3 | -78.1 | -173.5 | 174.4 | -177.7 | 0 | 114.2 | Q100 V105 | Q100-K103 PolarHBondContact O-N 3.28Å; K103-V105 PolarHBondContact O-N 3.36Å |
| 104 | N | 61.8 | Low | 64.6 | Low | 34 Ų | 34 | 116.7 Ų | 116.7 | 18% | 0.182 | 58% | 0.578 | C | S | . | * | trans | -77.6 | 41.7 | 178.6 | -65.2 | -36.5 | 0 | 0 | 0 | 113.3 | W106 M107 Q108 | N104-W106 PolarHBondContact O-N 3.45Å; N104-M107 HydrophobicContact CB-CB 4.41Å; N104-M107 HydrophobicContact CB-CE 3.59Å; N104-M107 HydrophobicContact CB-CG 4.43Å; N104-M107 WeakPolarHBondContact ND2-CE 3.4Å; N104-M107 PolarHBondContact O-N 2.93Å; N104-Q108 PolarHBondContact O-N 3.09Å | ||
| 105 | V | 59.6 | Low | 63.5 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -54.2 | -42.2 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | K103 M107 Q108 D109 | K103-V105 PolarHBondContact O-N 3.36Å; V105-M107 VanDerWaalsContact C-N 3.3Å; V105-M107 PolarHBondContact O-N 3.38Å; V105-Q108 CarbonylContact O-C 3.49Å; V105-Q108 WeakPolarHBondContact O-CA 3.33Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 3.42Å; V105-D109 PolarHBondContact O-N 2.91Å |
| 106 | W | 70.2 | Confident | 62.4 | Low | 135 Ų | 135 | 116.1 Ų | 116.1 | 51% | 0.511 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.5 | -34.4 | 177.1 | 75.9 | -88.1 | 0 | 0 | 0 | 114.4 | N104 W110 | N104-W106 PolarHBondContact O-N 3.45Å; W106-W110 HydrophobicContact CE3-CZ2 4.24Å; W106-W110 HydrophobicContact CZ3-CH2 4.28Å; W106-W110 HydrophobicContact CZ3-CZ2 4.19Å; W106-W110 HydrophobicContact CZ3-CZ3 4.49Å; W106-W110 PolarHBondContact O-N 3.07Å |
| 107 | M | 63.5 | Low | 61.5 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 47% | 0.468 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.7 | -32.9 | 175 | -69.2 | -156.6 | -74.7 | 0 | 0 | 111.5 | N104 V105 W110 S111 | N104-M107 HydrophobicContact CB-CB 4.41Å; N104-M107 HydrophobicContact CB-CE 3.59Å; N104-M107 HydrophobicContact CB-CG 4.43Å; N104-M107 WeakPolarHBondContact ND2-CE 3.4Å; N104-M107 PolarHBondContact O-N 2.93Å; V105-M107 VanDerWaalsContact C-N 3.3Å; V105-M107 PolarHBondContact O-N 3.38Å; M107-W110 PolarHBondContact O-N 3.22Å; M107-S111 PolarHBondContact O-N 3.37Å |
| 108 | Q | 61.7 | Low | 61 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.7 | -31.1 | 176.1 | -161.6 | 166.4 | 2.2 | 0 | 0 | 111.7 | N104 V105 W110 S111 S112 | N104-Q108 PolarHBondContact O-N 3.09Å; V105-Q108 CarbonylContact O-C 3.49Å; V105-Q108 WeakPolarHBondContact O-CA 3.33Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 3.42Å; Q108-W110 PolarHBondContact O-N 3.13Å; Q108-S111 PolarHBondContact O-N 3.31Å; Q108-S111 PolarHBondContact O-OG 3.25Å; Q108-S112 VanDerWaalsContact O-CB 3.25Å; Q108-S112 WeakPolarHBondContact O-CB 3.25Å; Q108-S112 PolarHBondContact O-N 3.34Å; Q108-S112 PolarHBondContact O-OG 3.41Å |
| 109 | D | 60.2 | Low | 60.4 | Low | 73 Ų | 73 | 114.4 Ų | 114.4 | 39% | 0.39 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.6 | -17.8 | 172.3 | -64.1 | -32.2 | 0 | 0 | 0 | 113.2 | V105 R113 | V105-D109 PolarHBondContact O-N 2.91Å; D109-R113 VanDerWaalsContact O-CD 3.28Å; D109-R113 WeakPolarHBondContact O-CD 3.47Å; D109-R113 WeakPolarHBondContact O-CG 3.38Å; D109-R113 PolarHBondContact O-NE 3.08Å; D109-R113 VanDerWaalsContact O-NE 3.09Å |
| 110 | W | 59.2 | Low | 59.8 | Low | 183 Ų | 183 | 119.3 Ų | 119.3 | 69% | 0.693 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -91.6 | -35.5 | 176.9 | -71.6 | 28 | 0 | 0 | 0 | 111.5 | W106 M107 Q108 | W106-W110 HydrophobicContact CE3-CZ2 4.24Å; W106-W110 HydrophobicContact CZ3-CH2 4.28Å; W106-W110 HydrophobicContact CZ3-CZ2 4.19Å; W106-W110 HydrophobicContact CZ3-CZ3 4.49Å; W106-W110 PolarHBondContact O-N 3.07Å; M107-W110 PolarHBondContact O-N 3.22Å; Q108-W110 PolarHBondContact O-N 3.13Å |
| 111 | S | 62.6 | Low | 59.4 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.2 | -21.5 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | M107 Q108 | M107-S111 PolarHBondContact O-N 3.37Å; Q108-S111 PolarHBondContact O-N 3.31Å; Q108-S111 PolarHBondContact O-OG 3.25Å |
| 112 | S | 59 | Low | 59.1 | Low | 77 Ų | 77 | 122.9 Ų | 122.9 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -93.4 | -5.6 | -176.6 | 60 | 0 | 0 | 0 | 0 | 115.3 | Q108 P114 | Q108-S112 VanDerWaalsContact O-CB 3.25Å; Q108-S112 WeakPolarHBondContact O-CB 3.25Å; Q108-S112 PolarHBondContact O-N 3.34Å; Q108-S112 PolarHBondContact O-OG 3.41Å; S112-P114 VanDerWaalsContact O-CD 3.27Å; S112-P114 WeakPolarHBondContact O-CD 3.28Å |
| 113 | R | 54.6 | Low | 58.7 | Low | 159 Ų | 159 | 125.1 Ų | 125.1 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | trans | -74.8 | 115.3 | 177.4 | -78.7 | 171.4 | -172.9 | -110.8 | -2.5 | 110.4 | D109 E115 A116 | D109-R113 VanDerWaalsContact O-CD 3.28Å; D109-R113 WeakPolarHBondContact O-CD 3.47Å; D109-R113 WeakPolarHBondContact O-CG 3.38Å; D109-R113 PolarHBondContact O-NE 3.08Å; D109-R113 VanDerWaalsContact O-NE 3.09Å; R113-E115 PolarHBondContact O-N 3Å; R113-A116 HydrophobicContact CB-CB 3.64Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 3.02Å | ||
| 114 | P | 59 | Low | 58 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -63.8 | -27.2 | 174.6 | 26.8 | -34.2 | 0 | 0 | 0 | 112 | S112 A116 | S112-P114 VanDerWaalsContact O-CD 3.27Å; S112-P114 WeakPolarHBondContact O-CD 3.28Å; P114-A116 PolarHBondContact O-N 3.21Å |
| 115 | E | 59.9 | Low | 57.3 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 84% | 0.841 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -66.7 | -16.9 | 171.3 | -58.4 | -66.3 | 141.6 | 0 | 0 | 113.7 | R113 | R113-E115 PolarHBondContact O-N 3Š|
| 116 | A | 56.8 | Low | 56.5 | Low | 53 Ų | 53 | 134.1 Ų | 134.1 | 44% | 0.438 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -100.1 | 20.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R113 P114 P118 | R113-A116 HydrophobicContact CB-CB 3.64Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 3.02Å; P114-A116 PolarHBondContact O-N 3.21Å; A116-P118 VanDerWaalsContact O-N 3.17Å |
| 117 | S | 56.8 | Low | 55.4 | Low | 81 Ų | 81 | 139 Ų | 139 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | trans | -52.1 | 123.6 | 164.4 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | P119 | S117-P119 WeakPolarHBondContact O-CD 3.22Š| ||
| 118 | P | 58.6 | Low | 54.9 | Low | 102 Ų | 102 | 141.3 Ų | 141.3 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | trans | -58.8 | 127.8 | 177 | 23.7 | -32.4 | 0 | 0 | 0 | 107.3 | A116 H120 Y122 | A116-P118 VanDerWaalsContact O-N 3.17Å; P118-H120 PolarHBondContact O-N 3.21Å; P118-Y122 HydrophobicContact CB-CD2 4.48Å | ||
| 119 | P | 56.8 | Low | 54.5 | Low | 77 Ų | 77 | 138.7 Ų | 138.7 | 50% | 0.5 | 69% | 0.685 | S | S | . | * | trans | -40.3 | 127.8 | -179.8 | -35.1 | 33 | 0 | 0 | 0 | 111.8 | S117 F121 Y122 | S117-P119 WeakPolarHBondContact O-CD 3.22Å; P119-F121 PolarHBondContact O-N 2.68Å; P119-Y122 HydrophobicContact CB-CD2 3.94Å; P119-Y122 HydrophobicContact CB-CE2 3.89Å; P119-Y122 HydrophobicContact CG-CD2 4.25Å; P119-Y122 HydrophobicContact CG-CE2 3.79Å; P119-Y122 WeakPolarHBondContact O-CD2 3.43Å; P119-Y122 PolarHBondContact O-N 2.82Å; P119-Y122 VanDerWaalsContact O-N 3.11Å | ||
| 120 | H | 54.8 | Low | 54 | Low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 4.7 | -168 | -129.9 | -76.6 | 0 | 0 | 0 | 115.2 | P118 | P118-H120 PolarHBondContact O-N 3.21Š|
| 121 | F | 55.3 | Low | 53.9 | Low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 5.5 | -174.9 | -50.2 | -73.6 | 0 | 0 | 0 | 113.6 | P119 R123 | P119-F121 PolarHBondContact O-N 2.68Å; F121-R123 PolarHBondContact O-N 3.11Å; F121-R123 VanDerWaalsContact O-N 3.1Å |
| 122 | Y | 51.9 | Low | 53.6 | Low | 189 Ų | 189 | 142.8 Ų | 142.8 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -72.3 | 8.4 | 177.3 | -89 | -72.3 | 0 | 0 | 0 | 115.2 | P118 P119 | P118-Y122 HydrophobicContact CB-CD2 4.48Å; P119-Y122 HydrophobicContact CB-CD2 3.94Å; P119-Y122 HydrophobicContact CB-CE2 3.89Å; P119-Y122 HydrophobicContact CG-CD2 4.25Å; P119-Y122 HydrophobicContact CG-CE2 3.79Å; P119-Y122 WeakPolarHBondContact O-CD2 3.43Å; P119-Y122 PolarHBondContact O-N 2.82Å; P119-Y122 VanDerWaalsContact O-N 3.11Å |
| 123 | R | 49.6 | Very low | 53.8 | Low | 216 Ų | 216 | 143.2 Ų | 143.2 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -129.3 | 156.2 | 170.7 | -81.2 | -179.4 | 174.4 | 153.5 | 0.4 | 110.6 | F121 | F121-R123 PolarHBondContact O-N 3.11Å; F121-R123 VanDerWaalsContact O-N 3.1Å |
| 124 | C | 45.4 | Very low | 54.2 | Low | 115 Ų | 115 | 140 Ų | 140 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | trans | 85.6 | 23.9 | 177 | -48.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 125 | L | 47 | Very low | 54.3 | Low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | trans | -108.2 | 42.6 | 163.3 | -98.1 | 159 | 0 | 0 | 0 | 113.1 | ||||
| 126 | R | 43.3 | Very low | 54 | Low | 186 Ų | 186 | 138.5 Ų | 138.5 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | -125.1 | 116.5 | 151.3 | -86.9 | -163.2 | 180 | -173.7 | 5.3 | 107.2 | N129 | R126-N129 HydrophobicContact CB-CB 4.33Å; R126-N129 WeakPolarHBondContact CD-OD1 3.41Å; R126-N129 PolarHBondContact NH1-ND2 3.48Å | ||
| 127 | R | 46.7 | Very low | 54.1 | Low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -83.3 | -19 | -167.1 | -151.6 | 172.5 | -173.2 | 102 | -0.5 | 113.5 | ||
| 128 | D | 54.3 | Low | 54.1 | Low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -133.2 | 15.7 | -164.7 | -48.6 | -67.3 | 0 | 0 | 0 | 113.8 | ||
| 129 | N | 52.8 | Low | 53.6 | Low | 82 Ų | 82 | 142.1 Ų | 142.1 | 44% | 0.439 | 70% | 0.704 | S | S | . | * | trans | -111.3 | 109.9 | -179.4 | -68.4 | 77.8 | 0 | 0 | 0 | 110.7 | R126 V131 | R126-N129 HydrophobicContact CB-CB 4.33Å; R126-N129 WeakPolarHBondContact CD-OD1 3.41Å; R126-N129 PolarHBondContact NH1-ND2 3.48Å; N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 2.93Å | ||
| 130 | V | 50.5 | Low | 52.9 | Low | 121 Ų | 121 | 144.5 Ų | 144.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 86.3 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | Y132 | V130-Y132 HydrophobicContact CG1-CD2 4.02Å; V130-Y132 HydrophobicContact CG1-CE2 3.72Å; V130-Y132 PolarHBondContact O-N 3.1Å | ||
| 131 | V | 56.4 | Low | 52.7 | Low | 108 Ų | 108 | 138.5 Ų | 138.5 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | trans | -84.7 | 102 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | N129 T133 | N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 2.93Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 HydrophobicContact CG1-CG2 4.32Å; V131-T133 PolarHBondContact O-N 2.84Å | ||
| 132 | Y | 56.6 | Low | 52.1 | Low | 214 Ų | 214 | 138.4 Ų | 138.4 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -62 | 94.5 | 166.4 | -76 | -87.5 | 0 | 0 | 0 | 109 | V130 | V130-Y132 HydrophobicContact CG1-CD2 4.02Å; V130-Y132 HydrophobicContact CG1-CE2 3.72Å; V130-Y132 PolarHBondContact O-N 3.1Å | ||
| 133 | T | 62.9 | Low | 51.9 | Low | 86 Ų | 86 | 137.5 Ų | 137.5 | 53% | 0.528 | 72% | 0.715 | S | S | . | * | trans | -74.5 | 137.4 | 168.9 | 35.6 | 0 | 0 | 0 | 0 | 109.6 | V131 | V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 HydrophobicContact CG1-CG2 4.32Å; V131-T133 PolarHBondContact O-N 2.84Å | ||
| 134 | P | 63.2 | Low | 51.7 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 59% | 0.591 | 71% | 0.709 | S | S | * | * | trans | -60.6 | 152.8 | 179.4 | 24.9 | -34 | 0 | 0 | 0 | 111.1 | N136 S137 | P134-N136 PolarHBondContact O-N 2.78Å; P134-S137 PolarHBondContact O-N 3.42Å; P134-S137 PolarHBondContact O-OG 2.85Å | ||
| 135 | P | 60.1 | Low | 51.3 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -5.3 | -167.5 | 24.3 | -35.7 | 0 | 0 | 0 | 115.9 | F139 | P135-F139 WeakPolarHBondContact O-CE2 3.35Š|
| 136 | N | 54.8 | Low | 51.2 | Low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 13.7 | 176.7 | -62.9 | -30.3 | 0 | 0 | 0 | 113.2 | P134 | P134-N136 PolarHBondContact O-N 2.78Š|
| 137 | S | 59.3 | Low | 51.1 | Low | 26 Ų | 26 | 127.2 Ų | 127.2 | 18% | 0.182 | 70% | 0.699 | C | S | . | * | S | Bend | trans | -60.9 | 142.2 | 168.7 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | P134 F139 | P134-S137 PolarHBondContact O-N 3.42Å; P134-S137 PolarHBondContact O-OG 2.85Å; S137-F139 VanDerWaalsContact C-N 3.34Å; S137-F139 VanDerWaalsContact O-CD2 3.22Å; S137-F139 WeakPolarHBondContact O-CD2 3.43Å; S137-F139 PolarHBondContact O-N 2.88Å |
| 138 | P | 55.4 | Low | 50.6 | Low | 126 Ų | 126 | 122 Ų | 122 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -62.3 | 101 | 169.8 | 26.6 | -32.7 | 0 | 0 | 0 | 107.6 | C140 | P138-C140 PolarHBondContact O-N 3.39Š| ||
| 139 | F | 48 | Very low | 49.9 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | -56.2 | 136.5 | -173.5 | -81.2 | -96.2 | 0 | 0 | 0 | 109.6 | P135 S137 G141 | P135-F139 WeakPolarHBondContact O-CE2 3.35Å; S137-F139 VanDerWaalsContact C-N 3.34Å; S137-F139 VanDerWaalsContact O-CD2 3.22Å; S137-F139 WeakPolarHBondContact O-CD2 3.43Å; S137-F139 PolarHBondContact O-N 2.88Å; F139-G141 PolarHBondContact O-N 3.22Å | ||
| 140 | C | 43 | Very low | 49.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -72.6 | 70.7 | 167.1 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | P138 | P138-C140 PolarHBondContact O-N 3.39Š| ||
| 141 | G | 49.7 | Very low | 48.6 | Very low | 60 Ų | 60 | 139.9 Ų | 139.9 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 134 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F139 E143 | F139-G141 PolarHBondContact O-N 3.22Å; G141-E143 PolarHBondContact O-N 3.16Å; G141-E143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | E | 44.3 | Very low | 47.9 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -73.8 | 93.5 | 178.4 | -177.7 | 176.8 | -172.9 | 0 | 0 | 110.9 | ||||
| 143 | E | 47.4 | Very low | 47.1 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -133.7 | 84.1 | 165.1 | -78.5 | -68.5 | 160.2 | 0 | 0 | 106.4 | G141 | G141-E143 PolarHBondContact O-N 3.16Å; G141-E143 VanDerWaalsContact O-N 3.16Å | ||
| 144 | L | 44.7 | Very low | 46.6 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | 60.5 | 113.1 | 82.5 | -155.9 | 78.8 | 0 | 0 | 0 | 112.7 | |||||
| 145 | S | 36.2 | Very low | 46.1 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 28.4 | 105.3 | 158.9 | 62.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 146 | T | 45.9 | Very low | 45.4 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | -161.5 | 114 | 128.3 | 21.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 147 | T | 40.2 | Very low | 45 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 61 | 123.7 | 117.2 | -46.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 148 | T | 37.3 | Very low | 44.3 | Very low | 127 Ų | 127 | 152 Ų | 152 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 63.6 | 73.2 | 156 | 54 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 149 | R | 38.7 | Very low | 44 | Very low | 254 Ų | 254 | 153 Ų | 153 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 65.5 | 138.9 | -73.1 | -157 | -168.1 | -175.5 | 8.7 | 113.2 | R151 | R149-R151 VanDerWaalsContact C-N 3.31Å; R149-R151 PolarHBondContact O-N 3.16Å | ||
| 150 | Y | 37 | Very low | 44 | Very low | 240 Ų | 240 | 150.9 Ų | 150.9 | 94% | 0.941 | 77% | 0.773 | S | S | * | * | trans | -74.1 | 80.8 | 165.9 | -125.1 | -90 | 0 | 0 | 0 | 110 | ||||
| 151 | R | 40.1 | Very low | 44.4 | Very low | 228 Ų | 228 | 155.1 Ų | 155.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -141.4 | 101.4 | 166.2 | -81.4 | -161 | 170.6 | 162 | -0.2 | 111.6 | R149 S153 | R149-R151 VanDerWaalsContact C-N 3.31Å; R149-R151 PolarHBondContact O-N 3.16Å; R151-S153 PolarHBondContact O-N 3Å; R151-S153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | F | 40.5 | Very low | 44.3 | Very low | 205 Ų | 205 | 159.7 Ų | 159.7 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | trans | 8.1 | 87.3 | 159 | -70 | -90.5 | 0 | 0 | 0 | 116.4 | ||||
| 153 | S | 40.2 | Very low | 44.7 | Very low | 86 Ų | 86 | 160 Ų | 160 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 97.9 | 162.5 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | R151 R155 | R151-S153 PolarHBondContact O-N 3Å; R151-S153 VanDerWaalsContact O-N 3.16Å; S153-R155 PolarHBondContact O-N 2.88Å | ||
| 154 | L | 51.9 | Low | 45.1 | Very low | 159 Ų | 159 | 161.9 Ų | 161.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 21.1 | -178.8 | -82.3 | 160.6 | 0 | 0 | 0 | 114.1 | ||
| 155 | R | 53.6 | Low | 45.7 | Very low | 234 Ų | 234 | 163 Ų | 163 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 13.7 | -172.5 | -68.7 | -175.1 | 171.5 | 162.3 | -1.9 | 114.3 | S153 | S153-R155 PolarHBondContact O-N 2.88Š|
| 156 | H | 45.1 | Very low | 47.6 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -122.2 | 12.8 | -173.1 | -129.6 | -70.6 | 0 | 0 | 0 | 115.4 | S158 | H156-S158 VanDerWaalsContact C-N 3.25Å; H156-S158 PolarHBondContact O-N 2.91Å | ||
| 157 | S | 46.5 | Very low | 48.9 | Very low | 99 Ų | 99 | 160.8 Ų | 160.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -73.8 | 80 | 171.5 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | L159 | S157-L159 PolarHBondContact O-N 2.81Š| ||
| 158 | S | 44.2 | Very low | 51 | Low | 91 Ų | 91 | 162 Ų | 162 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -63.6 | 75.6 | 162 | 167.6 | 0 | 0 | 0 | 0 | 110 | H156 I160 | H156-S158 VanDerWaalsContact C-N 3.25Å; H156-S158 PolarHBondContact O-N 2.91Å; S158-I160 WeakPolarHBondContact O-CD1 3.32Å; S158-I160 WeakPolarHBondContact O-CG1 3.34Å | ||
| 159 | L | 49 | Very low | 53.3 | Low | 149 Ų | 149 | 160.2 Ų | 160.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -126.1 | 56.9 | 171.5 | -102.7 | 167.4 | 0 | 0 | 0 | 108.2 | S157 | S157-L159 PolarHBondContact O-N 2.81Š| ||
| 160 | I | 49.2 | Very low | 55.5 | Low | 114 Ų | 114 | 152.2 Ų | 152.2 | 59% | 0.585 | 72% | 0.723 | S | S | * | * | 55.3 | 85.5 | 98.8 | -59.8 | 173.1 | 0 | 0 | 0 | 111 | S158 | S158-I160 WeakPolarHBondContact O-CD1 3.32Å; S158-I160 WeakPolarHBondContact O-CG1 3.34Å | |||
| 161 | R | 49.9 | Very low | 57.9 | Low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 88.5 | 11.7 | 142.4 | -58.7 | 178.6 | -176.2 | -172.7 | 1.5 | 121.6 | ||
| 162 | H | 48.5 | Very low | 60.3 | Low | 156 Ų | 156 | 138.1 Ų | 138.1 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -135.4 | 70.2 | 164.2 | -75.2 | -76.2 | 0 | 0 | 0 | 113.3 | W164 | H162-W164 AromaticContact ND1-NE1 3.9Å; H162-W164 PolarHBondContact O-N 2.95Å | ||
| 163 | E | 52.5 | Low | 62.6 | Low | 188 Ų | 188 | 134.6 Ų | 134.6 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 84.5 | 176.3 | -70.4 | -87.5 | 152.2 | 0 | 0 | 112 | ||
| 164 | W | 55.8 | Low | 65.1 | Low | 208 Ų | 208 | 135 Ų | 135 | 79% | 0.788 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | -33.6 | 163.6 | -14 | -37 | 0 | 0 | 0 | 113.8 | H162 | H162-W164 AromaticContact ND1-NE1 3.9Å; H162-W164 PolarHBondContact O-N 2.95Å |
| 165 | F | 58.3 | Low | 67.1 | Low | 157 Ų | 157 | 130.7 Ų | 130.7 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -145.2 | 142.1 | 174.5 | -78.6 | -81.3 | 0 | 0 | 0 | 110.8 | V167 | F165-V167 PolarHBondContact O-N 3.45Š|
| 166 | S | 75.1 | Confident | 69 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 47% | 0.469 | 63% | 0.629 | S | S | . | * | trans | -58 | 130.8 | 174.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | E168 V169 I170 | S166-E168 PolarHBondContact O-N 3.47Å; S166-E168 VanDerWaalsContact O-N 3.12Å; S166-E168 PolarHBondContact OG-N 3.43Å; S166-V169 PolarHBondContact O-N 3.37Å; S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.11Å | ||
| 167 | V | 74.4 | Confident | 71.4 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 70% | 0.703 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57 | -29.6 | 179.4 | 178 | 0 | 0 | 0 | 0 | 111.4 | F165 S171 | F165-V167 PolarHBondContact O-N 3.45Å; V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 3.48Å |
| 168 | E | 83 | Confident | 73.7 | Confident | 140 Ų | 140 | 117.1 Ų | 117.1 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.8 | -47.6 | 173.4 | -174.1 | 174.4 | -171.8 | 0 | 0 | 112 | S166 S171 V172 | S166-E168 PolarHBondContact O-N 3.47Å; S166-E168 VanDerWaalsContact O-N 3.12Å; S166-E168 PolarHBondContact OG-N 3.43Å; E168-S171 PolarHBondContact O-N 3.5Å; E168-V172 WeakPolarHBondContact O-CG2 3.33Å; E168-V172 PolarHBondContact O-N 2.94Å |
| 169 | V | 85.1 | Confident | 76.1 | Confident | 89 Ų | 89 | 117.4 Ų | 117.4 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.6 | -45 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | S166 S171 V172 F173 | S166-V169 PolarHBondContact O-N 3.37Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.11Å; V169-V172 PolarHBondContact O-N 2.95Å; V169-F173 VanDerWaalsContact O-CB 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.18Å; V169-F173 PolarHBondContact O-N 3.35Å |
| 170 | I | 86.3 | Confident | 78.3 | Confident | 85 Ų | 85 | 113.4 Ų | 113.4 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.9 | -33.2 | 179.5 | -148.5 | 167.7 | 0 | 0 | 0 | 111.7 | S166 F173 I174 | S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.11Å; I170-F173 PolarHBondContact O-N 3.17Å; I170-I174 HydrophobicContact CG1-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 3.38Å |
| 171 | S | 86.4 | Confident | 80.5 | Confident | 70 Ų | 70 | 114.4 Ų | 114.4 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -48.4 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | V167 E168 V169 F173 I174 C175 | V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 3.48Å; E168-S171 PolarHBondContact O-N 3.5Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.11Å; S171-F173 VanDerWaalsContact C-N 3.33Å; S171-F173 PolarHBondContact O-N 2.94Å; S171-I174 PolarHBondContact O-N 3.45Å; S171-C175 WeakPolarHBondContact O-CB 3.43Å; S171-C175 PolarHBondContact O-N 3.32Å |
| 172 | V | 90.3 | Very high | 82.7 | Confident | 103 Ų | 103 | 108 Ų | 108 | 62% | 0.624 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62 | -41.7 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | E168 V169 G176 | E168-V172 WeakPolarHBondContact O-CG2 3.33Å; E168-V172 PolarHBondContact O-N 2.94Å; V169-V172 PolarHBondContact O-N 2.95Å; V172-G176 PolarHBondContact O-N 3.4Å |
| 173 | F | 90.1 | Very high | 85 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -51.5 | 176.7 | -176.6 | -99.4 | 0 | 0 | 0 | 112.2 | V169 I170 S171 C175 G176 H177 | V169-F173 VanDerWaalsContact O-CB 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.18Å; V169-F173 PolarHBondContact O-N 3.35Å; I170-F173 PolarHBondContact O-N 3.17Å; S171-F173 VanDerWaalsContact C-N 3.33Å; S171-F173 PolarHBondContact O-N 2.94Å; F173-C175 PolarHBondContact O-N 2.99Å; F173-G176 PolarHBondContact O-N 2.89Å; F173-H177 AromaticContact CD1-CD2 3.81Å; F173-H177 AromaticContact CD2-CD2 3.85Å; F173-H177 AromaticContact CD2-NE2 3.79Å; F173-H177 AromaticContact CE1-CD2 3.56Å; F173-H177 AromaticContact CE1-NE2 3.84Å; F173-H177 AromaticContact CE2-CD2 3.61Å; F173-H177 AromaticContact CE2-NE2 3.18Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.13Å; F173-H177 AromaticContact CG-CD2 3.95Å; F173-H177 AromaticContact CZ-CD2 3.46Å; F173-H177 VanDerWaalsContact CZ-CD2 3.46Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.21Å; F173-H177 AromaticContact CZ-NE2 3.21Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.46Å; F173-H177 PolarHBondContact O-CD2 2.74Å; F173-H177 VanDerWaalsContact O-CD2 3.22Å; F173-H177 PolarHBondContact O-N 3.43Å |
| 174 | I | 91.7 | Very high | 87 | Confident | 94 Ų | 94 | 99 Ų | 99 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 177.7 | -68.8 | 164.7 | 0 | 0 | 0 | 110.4 | I170 S171 H177 V178 | I170-I174 HydrophobicContact CG1-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 3.38Å; S171-I174 PolarHBondContact O-N 3.45Å; I174-H177 PolarHBondContact O-N 2.89Å; I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.24Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.22Å |
| 175 | C | 94.1 | Very high | 88.8 | Confident | 68 Ų | 68 | 93.1 Ų | 93.1 | 46% | 0.459 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | S171 F173 H177 V178 L179 | S171-C175 WeakPolarHBondContact O-CB 3.43Å; S171-C175 PolarHBondContact O-N 3.32Å; F173-C175 PolarHBondContact O-N 2.99Å; C175-H177 PolarHBondContact O-N 2.91Å; C175-V178 PolarHBondContact O-N 2.88Å; C175-L179 WeakPolarHBondContact O-CB 3.19Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å; C175-L179 PolarHBondContact O-N 3.4Å |
| 176 | G | 93.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 89.2 Ų | 89.2 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 F173 S180 | V172-G176 PolarHBondContact O-N 3.4Å; F173-G176 PolarHBondContact O-N 2.89Å; G176-S180 WeakPolarHBondContact O-CB 3.05Å; G176-S180 PolarHBondContact O-N 3.49Å; G176-S180 PolarHBondContact O-OG 2.84Å |
| 177 | H | 94.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 91 Ų | 91 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 177.2 | -80.8 | -61.1 | 0 | 0 | 0 | 112.8 | F173 I174 C175 L179 S180 F181 | F173-H177 AromaticContact CD1-CD2 3.81Å; F173-H177 AromaticContact CD2-CD2 3.85Å; F173-H177 AromaticContact CD2-NE2 3.79Å; F173-H177 AromaticContact CE1-CD2 3.56Å; F173-H177 AromaticContact CE1-NE2 3.84Å; F173-H177 AromaticContact CE2-CD2 3.61Å; F173-H177 AromaticContact CE2-NE2 3.18Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.13Å; F173-H177 AromaticContact CG-CD2 3.95Å; F173-H177 AromaticContact CZ-CD2 3.46Å; F173-H177 VanDerWaalsContact CZ-CD2 3.46Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.21Å; F173-H177 AromaticContact CZ-NE2 3.21Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.46Å; F173-H177 PolarHBondContact O-CD2 2.74Å; F173-H177 VanDerWaalsContact O-CD2 3.22Å; F173-H177 PolarHBondContact O-N 3.43Å; I174-H177 PolarHBondContact O-N 2.89Å; C175-H177 PolarHBondContact O-N 2.91Å; H177-L179 PolarHBondContact O-N 3.32Å; H177-S180 PolarHBondContact O-N 3.3Å; H177-S180 PolarHBondContact O-OG 3.5Å; H177-F181 WeakPolarHBondContact O-CB 3.33Å; H177-F181 PolarHBondContact O-N 2.91Å |
| 178 | V | 95.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | I174 C175 F181 I182 | I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.24Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.22Å; C175-V178 PolarHBondContact O-N 2.88Å; V178-F181 PolarHBondContact O-N 3.47Å; V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.32Å |
| 179 | L | 94.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 85.6 Ų | 85.6 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.6 | -72 | 172.3 | 0 | 0 | 0 | 112 | C175 H177 F181 I182 L183 | C175-L179 WeakPolarHBondContact O-CB 3.19Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å; C175-L179 PolarHBondContact O-N 3.4Å; H177-L179 PolarHBondContact O-N 3.32Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 2.9Å; L179-I182 PolarHBondContact O-N 2.94Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.42Å |
| 180 | S | 95.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 84.9 Ų | 84.9 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 176.4 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | G176 H177 G184 | G176-S180 WeakPolarHBondContact O-CB 3.05Å; G176-S180 PolarHBondContact O-N 3.49Å; G176-S180 PolarHBondContact O-OG 2.84Å; H177-S180 PolarHBondContact O-N 3.3Å; H177-S180 PolarHBondContact O-OG 3.5Å; S180-G184 PolarHBondContact O-N 2.84Å |
| 181 | F | 95.4 | Very high | 93.1 | Very high | 135 Ų | 135 | 86.2 Ų | 86.2 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.8 | -44.1 | 175.6 | -179.3 | -107 | 0 | 0 | 0 | 112 | H177 V178 L179 G184 L185 | H177-F181 WeakPolarHBondContact O-CB 3.33Å; H177-F181 PolarHBondContact O-N 2.91Å; V178-F181 PolarHBondContact O-N 3.47Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 2.9Å; F181-G184 PolarHBondContact O-N 2.86Å; F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD1-CG 4.48Å; F181-L185 HydrophobicContact CE1-CD1 3.38Å; F181-L185 HydrophobicContact CE1-CG 4.12Å; F181-L185 HydrophobicContact CE2-CD1 4.44Å; F181-L185 HydrophobicContact CE2-CG 4.36Å; F181-L185 HydrophobicContact CZ-CD1 3.67Å; F181-L185 HydrophobicContact CZ-CD2 4.37Å; F181-L185 HydrophobicContact CZ-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CG 3.46Å; F181-L185 PolarHBondContact O-N 2.91Å |
| 182 | I | 96 | Very high | 93.1 | Very high | 83 Ų | 83 | 85.8 Ų | 85.8 | 43% | 0.426 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176 | -68.6 | 166 | 0 | 0 | 0 | 110.5 | V178 L179 G184 L185 C186 | V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.32Å; L179-I182 PolarHBondContact O-N 2.94Å; I182-G184 PolarHBondContact O-N 2.94Å; I182-L185 PolarHBondContact O-N 3.26Å; I182-C186 WeakPolarHBondContact O-CB 3.48Å; I182-C186 PolarHBondContact O-N 3.38Å; I182-C186 PolarHBondContact O-SG 2.88Å |
| 183 | L | 95.8 | Very high | 92.5 | Very high | 110 Ų | 110 | 90 Ų | 90 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 176.1 | -70.9 | 170.8 | 0 | 0 | 0 | 111.6 | L179 L185 C186 I187 | L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.42Å; L183-L185 PolarHBondContact O-N 3.46Å; L183-C186 PolarHBondContact O-N 3.32Å; L183-I187 WeakPolarHBondContact O-CB 3.49Å; L183-I187 WeakPolarHBondContact O-CD1 3.23Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.87Å |
| 184 | G | 95.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 87.2 Ų | 87.2 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S180 F181 I182 G188 | S180-G184 PolarHBondContact O-N 2.84Å; F181-G184 PolarHBondContact O-N 2.86Å; I182-G184 PolarHBondContact O-N 2.94Å; G184-G188 PolarHBondContact O-N 3.29Å |
| 185 | L | 94.8 | Very high | 90.5 | Very high | 85 Ų | 85 | 92.3 Ų | 92.3 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173.8 | -77.3 | -179.9 | 0 | 0 | 0 | 112.2 | F181 I182 L183 G188 L189 | F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD1-CG 4.48Å; F181-L185 HydrophobicContact CE1-CD1 3.38Å; F181-L185 HydrophobicContact CE1-CG 4.12Å; F181-L185 HydrophobicContact CE2-CD1 4.44Å; F181-L185 HydrophobicContact CE2-CG 4.36Å; F181-L185 HydrophobicContact CZ-CD1 3.67Å; F181-L185 HydrophobicContact CZ-CD2 4.37Å; F181-L185 HydrophobicContact CZ-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CG 3.46Å; F181-L185 PolarHBondContact O-N 2.91Å; I182-L185 PolarHBondContact O-N 3.26Å; L183-L185 PolarHBondContact O-N 3.46Å; L185-G188 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-CB 3.28Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.35Å; L185-L189 PolarHBondContact O-N 3.12Å |
| 186 | C | 94.4 | Very high | 88.9 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 51% | 0.507 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.7 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | I182 L183 C190 | I182-C186 WeakPolarHBondContact O-CB 3.48Å; I182-C186 PolarHBondContact O-N 3.38Å; I182-C186 PolarHBondContact O-SG 2.88Å; L183-C186 PolarHBondContact O-N 3.32Å; C186-C190 VanDerWaalsContact O-CB 3.23Å; C186-C190 WeakPolarHBondContact O-CB 3.25Å; C186-C190 PolarHBondContact O-N 3.3Å |
| 187 | I | 94.3 | Very high | 87.2 | Confident | 105 Ų | 105 | 98.4 Ų | 98.4 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 176.4 | -65.4 | 163.7 | 0 | 0 | 0 | 110.2 | L183 L189 C190 L191 | L183-I187 WeakPolarHBondContact O-CB 3.49Å; L183-I187 WeakPolarHBondContact O-CD1 3.23Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.87Å; I187-L189 PolarHBondContact O-N 3.22Å; I187-C190 WeakPolarHBondContact O-CB 3.45Å; I187-C190 PolarHBondContact O-N 2.84Å; I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.92Å |
| 188 | G | 93.5 | Very high | 85.4 | Confident | 30 Ų | 30 | 100.1 Ų | 100.1 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G184 L185 C192 | G184-G188 PolarHBondContact O-N 3.29Å; L185-G188 PolarHBondContact O-N 2.89Å; G188-C192 WeakPolarHBondContact O-CB 3.28Å; G188-C192 PolarHBondContact O-N 3.44Å; G188-C192 PolarHBondContact O-SG 2.91Å |
| 189 | L | 91.6 | Very high | 83.5 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.9 | -39.9 | 174.6 | -72.5 | 172.8 | 0 | 0 | 0 | 111.8 | L185 I187 C192 R193 | L185-L189 VanDerWaalsContact O-CB 3.28Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.35Å; L185-L189 PolarHBondContact O-N 3.12Å; I187-L189 PolarHBondContact O-N 3.22Å; L189-C192 PolarHBondContact O-N 2.82Å; L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.37Å |
| 190 | C | 90.8 | Very high | 81.6 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 49% | 0.493 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.2 | -52.4 | 175 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | C186 I187 C192 R193 C194 | C186-C190 VanDerWaalsContact O-CB 3.23Å; C186-C190 WeakPolarHBondContact O-CB 3.25Å; C186-C190 PolarHBondContact O-N 3.3Å; I187-C190 WeakPolarHBondContact O-CB 3.45Å; I187-C190 PolarHBondContact O-N 2.84Å; C190-C192 VanDerWaalsContact C-N 3.34Å; C190-C192 PolarHBondContact O-N 3.27Å; C190-R193 PolarHBondContact O-N 2.93Å; C190-R193 VanDerWaalsContact O-N 3.12Å; C190-C194 PolarHBondContact O-N 3.49Å; C190-C194 PolarHBondContact O-SG 3.35Å |
| 191 | L | 87.8 | Confident | 79.4 | Confident | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.9 | -40.7 | 176.2 | -67.4 | 174 | 0 | 0 | 0 | 112.3 | I187 R193 C194 R195 | I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.92Å; L191-R193 PolarHBondContact O-N 3.44Å; L191-C194 PolarHBondContact O-N 2.89Å; L191-R195 WeakPolarHBondContact O-CB 3.38Å; L191-R195 PolarHBondContact O-N 3.12Å |
| 192 | C | 84.7 | Confident | 77.3 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 42% | 0.419 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -37.7 | 175 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | G188 L189 C190 R196 | G188-C192 WeakPolarHBondContact O-CB 3.28Å; G188-C192 PolarHBondContact O-N 3.44Å; G188-C192 PolarHBondContact O-SG 2.91Å; L189-C192 PolarHBondContact O-N 2.82Å; C190-C192 VanDerWaalsContact C-N 3.34Å; C190-C192 PolarHBondContact O-N 3.27Å; C192-R196 WeakPolarHBondContact O-CG 3.37Å; C192-R196 PolarHBondContact O-N 3.5Å; C192-R196 VanDerWaalsContact O-N 3.15Å |
| 193 | R | 79.5 | Confident | 75.3 | Confident | 190 Ų | 190 | 105.1 Ų | 105.1 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -44.1 | 175.2 | -71.6 | -172.3 | 75.7 | 88.4 | 3.3 | 111.6 | L189 C190 L191 R195 R196 G197 | L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.37Å; C190-R193 PolarHBondContact O-N 2.93Å; C190-R193 VanDerWaalsContact O-N 3.12Å; L191-R193 PolarHBondContact O-N 3.44Å; R193-R195 VanDerWaalsContact C-N 3.31Å; R193-R195 PolarHBondContact O-N 3.01Å; R193-R196 PolarHBondContact O-N 3.31Å; R193-G197 PolarHBondContact O-N 3.4Å |
| 194 | C | 74.1 | Confident | 73.3 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.9 | -44.7 | 173.9 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | C190 L191 G197 I198 | C190-C194 PolarHBondContact O-N 3.49Å; C190-C194 PolarHBondContact O-SG 3.35Å; L191-C194 PolarHBondContact O-N 2.89Å; C194-G197 PolarHBondContact O-N 3.42Å; C194-I198 PolarHBondContact O-N 3.33Å |
| 195 | R | 65.8 | Low | 71 | Confident | 200 Ų | 200 | 114.1 Ų | 114.1 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.2 | -37.1 | -179.7 | -164.8 | 170.7 | 178.3 | 174.1 | -1.4 | 113.2 | L191 R193 G197 I198 T199 | L191-R195 WeakPolarHBondContact O-CB 3.38Å; L191-R195 PolarHBondContact O-N 3.12Å; R193-R195 VanDerWaalsContact C-N 3.31Å; R193-R195 PolarHBondContact O-N 3.01Å; R195-G197 VanDerWaalsContact C-N 3.34Å; R195-I198 PolarHBondContact O-N 3.21Å; R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.45Å |
| 196 | R | 59.5 | Low | 68.8 | Low | 179 Ų | 179 | 122 Ų | 122 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.1 | -29.8 | 172.8 | -70.3 | 177.9 | -162.5 | 159.8 | 7.1 | 113 | C192 R193 I198 T199 G200 | C192-R196 WeakPolarHBondContact O-CG 3.37Å; C192-R196 PolarHBondContact O-N 3.5Å; C192-R196 VanDerWaalsContact O-N 3.15Å; R193-R196 PolarHBondContact O-N 3.31Å; R196-I198 VanDerWaalsContact C-N 3.31Å; R196-I198 PolarHBondContact O-N 3.15Å; R196-T199 PolarHBondContact O-OG1 3.23Å; R196-G200 PolarHBondContact O-N 3.38Å |
| 197 | G | 58.2 | Low | 67.5 | Low | 57 Ų | 57 | 124.3 Ų | 124.3 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.2 | -34.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R193 C194 R195 | R193-G197 PolarHBondContact O-N 3.4Å; C194-G197 PolarHBondContact O-N 3.42Å; R195-G197 VanDerWaalsContact C-N 3.34Å |
| 198 | I | 56.7 | Low | 66.1 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.6 | -33.1 | -179.2 | -63.5 | 166.9 | 0 | 0 | 0 | 111.8 | C194 R195 R196 | C194-I198 PolarHBondContact O-N 3.33Å; R195-I198 PolarHBondContact O-N 3.21Å; R196-I198 VanDerWaalsContact C-N 3.31Å; R196-I198 PolarHBondContact O-N 3.15Å |
| 199 | T | 55.9 | Low | 64.6 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -85.2 | -9.5 | 178.2 | 56 | 0 | 0 | 0 | 0 | 114.2 | R195 R196 | R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.45Å; R196-T199 PolarHBondContact O-OG1 3.23Å |
| 200 | G | 54.3 | Low | 63 | Low | 63 Ų | 63 | 131.7 Ų | 131.7 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 0.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R196 | R196-G200 PolarHBondContact O-N 3.38Š|
| 201 | H | 49.7 | Very low | 61.3 | Low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -13.9 | -176.1 | -155.7 | -28.4 | 0 | 0 | 0 | 113.9 | ||
| 202 | S | 51.6 | Low | 59.5 | Low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -79.8 | -22.4 | -169.4 | -55.3 | 0 | 0 | 0 | 0 | 115.3 | K204 | S202-K204 VanDerWaalsContact C-N 3.28Å; S202-K204 PolarHBondContact O-N 3.11Å; S202-K204 VanDerWaalsContact O-N 3.11Å |
| 203 | D | 53.3 | Low | 57.7 | Low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 37.2 | -169.1 | -59.9 | -20.6 | 0 | 0 | 0 | 113.9 | ||
| 204 | K | 53.6 | Low | 56.1 | Low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 15.7 | 176 | -69.8 | -165.3 | 176.6 | -173.2 | 0 | 114.6 | S202 | S202-K204 VanDerWaalsContact C-N 3.28Å; S202-K204 PolarHBondContact O-N 3.11Å; S202-K204 VanDerWaalsContact O-N 3.11Å |
| 205 | I | 47.4 | Very low | 54.6 | Low | 150 Ų | 150 | 143.9 Ų | 143.9 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -135.7 | 65.6 | 176.5 | -45.7 | 179.6 | 0 | 0 | 0 | 110.2 | ||||
| 206 | L | 48.8 | Very low | 53.5 | Low | 249 Ų | 249 | 138.8 Ų | 138.8 | 100% | 1.304 | 76% | 0.755 | S | S | * | * | trans | -158.7 | 0 | 143.5 | -136.8 | 93.1 | 0 | 0 | 0 | 110 |
Retrieved 206 of 206 residues in 114.9 ms
(Link to these results)