| 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 | 53.1 | Low | 55.6 | Low | 238 Ų | 238 | 152.2 Ų | 152.2 | 100% | 1.172 | 83% | 0.826 | S | S | * | * | 0 | 131.4 | 0 | -65.6 | -178.1 | 74.7 | 0 | 0 | 108.2 | |||||
| 2 | Q | 60.6 | Low | 55.6 | Low | 193 Ų | 193 | 149.2 Ų | 149.2 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -55.3 | 146.3 | -169.7 | -75.1 | 143.5 | -53.6 | 0 | 0 | 113.9 | ||||
| 3 | K | 58.5 | Low | 55.6 | Low | 201 Ų | 201 | 152.1 Ų | 152.1 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -110 | 98.6 | 155.5 | -54.3 | -86 | -176.3 | 171.6 | 0 | 104.5 | C5 | K3-C5 PolarHBondContact O-N 3.27Š| ||
| 4 | S | 59.7 | Low | 55.6 | Low | 101 Ų | 101 | 150.6 Ų | 150.6 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -70.4 | 118.3 | 170 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | D6 | S4-D6 PolarHBondContact O-N 3.31Š| ||
| 5 | C | 51.5 | Low | 55.1 | Low | 125 Ų | 125 | 148.4 Ų | 148.4 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -78.4 | 104.4 | 164.3 | -64.6 | 0 | 0 | 0 | 0 | 106.1 | K3 E7 | K3-C5 PolarHBondContact O-N 3.27Å; C5-E7 PolarHBondContact O-N 3.14Å | ||
| 6 | D | 55.3 | Low | 54.9 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -56.8 | 122.4 | 165.8 | -92.8 | -64.4 | 0 | 0 | 0 | 108.8 | S4 N8 | S4-D6 PolarHBondContact O-N 3.31Å; D6-N8 PolarHBondContact O-N 3.42Å; D6-N8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | E | 56.8 | Low | 54.6 | Low | 166 Ų | 166 | 149.3 Ų | 149.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -64.3 | 101.4 | 172.3 | -173.3 | 162.1 | 88.4 | 0 | 0 | 108.1 | C5 E9 | C5-E7 PolarHBondContact O-N 3.14Å; E7-E9 VanDerWaalsContact C-N 3.32Å; E7-E9 HydrophobicContact CG-CG 4.01Å; E7-E9 PolarHBondContact O-N 2.92Å | ||
| 8 | N | 56.9 | Low | 54.3 | Low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -83.1 | 88.3 | 163.9 | 53.7 | 18.6 | 0 | 0 | 0 | 108 | D6 G10 | D6-N8 PolarHBondContact O-N 3.42Å; D6-N8 VanDerWaalsContact O-N 3.14Å; N8-G10 VanDerWaalsContact C-N 3.32Å; N8-G10 PolarHBondContact O-N 2.98Å | ||
| 9 | E | 50.1 | Low | 54 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -54 | 99.6 | 164.3 | -66.6 | -166.1 | 106.2 | 0 | 0 | 108.6 | E7 T11 | E7-E9 VanDerWaalsContact C-N 3.32Å; E7-E9 HydrophobicContact CG-CG 4.01Å; E7-E9 PolarHBondContact O-N 2.92Å; E9-T11 PolarHBondContact O-N 2.86Å | ||
| 10 | G | 52.2 | Low | 53.8 | Low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -64.3 | 102.5 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | N8 P12 | N8-G10 VanDerWaalsContact C-N 3.32Å; N8-G10 PolarHBondContact O-N 2.98Å; G10-P12 WeakPolarHBondContact O-CD 2.95Å; G10-P12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | T | 57.4 | Low | 53.1 | Low | 121 Ų | 121 | 143.2 Ų | 143.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -53.1 | 117.7 | 165.3 | -49.6 | 0 | 0 | 0 | 0 | 108.1 | E9 Q13 | E9-T11 PolarHBondContact O-N 2.86Å; T11-Q13 PolarHBondContact O-N 2.96Å | ||
| 12 | P | 55.3 | Low | 53 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -70.4 | 101 | 165.1 | 28.2 | -29.1 | 0 | 0 | 0 | 106.7 | G10 N14 | G10-P12 WeakPolarHBondContact O-CD 2.95Å; G10-P12 VanDerWaalsContact O-N 3.14Å; P12-N14 PolarHBondContact O-N 3.2Å | ||
| 13 | Q | 56 | Low | 52.2 | Low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -67.6 | 80.3 | 160.8 | -81 | -166.2 | 10 | 0 | 0 | 108.3 | T11 | T11-Q13 PolarHBondContact O-N 2.96Š| ||
| 14 | N | 55.2 | Low | 51.6 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -140.4 | 76.1 | 158.8 | -157.9 | -100.9 | 0 | 0 | 0 | 109.1 | P12 P16 | P12-N14 PolarHBondContact O-N 3.2Å; N14-P16 WeakPolarHBondContact O-CD 3.21Å | ||
| 15 | T | 48.8 | Very low | 50.6 | Low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -78 | 120.1 | 151 | 50.6 | 0 | 0 | 0 | 0 | 107 | K17 | T15-K17 PolarHBondContact O-N 2.83Š| ||
| 16 | P | 51.2 | Low | 49.9 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 117.8 | 151.3 | 26.6 | -27.3 | 0 | 0 | 0 | 105.6 | N14 A18 | N14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-A18 PolarHBondContact O-N 2.85Å | ||
| 17 | K | 49.1 | Very low | 49.4 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -61 | 107.5 | 167.4 | -79 | -162.1 | 174 | -172.3 | 0 | 106.6 | T15 D19 | T15-K17 PolarHBondContact O-N 2.83Å; K17-D19 PolarHBondContact O-N 3.29Å | ||
| 18 | A | 50.4 | Low | 48.7 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -62.7 | 118.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P16 | P16-A18 PolarHBondContact O-N 2.85Š| ||
| 19 | D | 47.5 | Very low | 48.1 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 4.9 | 124.5 | 145.2 | -165.1 | 25.7 | 0 | 0 | 0 | 118 | K17 | K17-D19 PolarHBondContact O-N 3.29Š| ||
| 20 | E | 51.3 | Low | 48 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | -179.6 | 105 | 119.6 | -101.7 | 175.1 | 137.7 | 0 | 0 | 109.2 | |||||
| 21 | G | 39.1 | Very low | 47.2 | Very low | 49 Ų | 49 | 136.8 Ų | 136.8 | 51% | 0.505 | 77% | 0.769 | S | S | . | * | trans | -169 | 49.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 22 | H | 50 | Low | 46.6 | Very low | 167 Ų | 167 | 135 Ų | 135 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 35.6 | 105 | 150.8 | 41.1 | -93.8 | 0 | 0 | 0 | 117.7 | S24 | H22-S24 PolarHBondContact O-N 2.97Š| ||
| 23 | P | 43.8 | Very low | 45.9 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -74 | 106 | 143.4 | 29.3 | -21 | 0 | 0 | 0 | 106.6 | E25 | P23-E25 PolarHBondContact O-N 3.39Å; P23-E25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | S | 45.6 | Very low | 44.7 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -46.2 | 121.2 | 165.2 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | H22 D26 | H22-S24 PolarHBondContact O-N 2.97Å; S24-D26 PolarHBondContact O-N 2.82Å | ||
| 25 | E | 39.3 | Very low | 44.1 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -56.5 | 106.4 | 167.2 | -65.7 | 177.6 | 105.6 | 0 | 0 | 107.5 | P23 T27 | P23-E25 PolarHBondContact O-N 3.39Å; P23-E25 VanDerWaalsContact O-N 3.14Å; E25-T27 PolarHBondContact O-N 2.99Å; E25-T27 PolarHBondContact O-OG1 3.08Å | ||
| 26 | D | 36 | Very low | 43.6 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 87.7 | 167 | -155.8 | -41.8 | 0 | 0 | 0 | 106.6 | S24 | S24-D26 PolarHBondContact O-N 2.82Š| ||
| 27 | T | 44.9 | Very low | 42.9 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 61% | 0.613 | 79% | 0.788 | S | S | * | * | trans | -70.5 | 124 | 167.7 | -43.3 | 0 | 0 | 0 | 0 | 105.6 | E25 Q29 | E25-T27 PolarHBondContact O-N 2.99Å; E25-T27 PolarHBondContact O-OG1 3.08Å; T27-Q29 PolarHBondContact O-N 2.74Å | ||
| 28 | P | 43.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 106.2 | 169.7 | -6.9 | 19.2 | 0 | 0 | 0 | 107.2 | Q30 | P28-Q30 PolarHBondContact O-N 3.05Š| ||
| 29 | Q | 43 | Very low | 41.9 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -55.5 | 102 | 172.6 | -102.1 | 178 | -24 | 0 | 0 | 108.8 | T27 A31 | T27-Q29 PolarHBondContact O-N 2.74Å; Q29-A31 PolarHBondContact O-N 3.35Å; Q29-A31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | Q | 47.6 | Very low | 41.5 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 93.4 | 161.4 | -152.1 | -165.1 | 38.6 | 0 | 0 | 107.7 | P28 | P28-Q30 PolarHBondContact O-N 3.05Š| ||
| 31 | A | 36.1 | Very low | 40.6 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | -150.6 | 106.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q29 | Q29-A31 PolarHBondContact O-N 3.35Å; Q29-A31 VanDerWaalsContact O-N 3.14Å | ||
| 32 | G | 44.8 | Very low | 40.7 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | 71.4 | 66.5 | 53.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 33 | G | 40.3 | Very low | 40 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 101.3 | 102.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 34 | N | 31.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -159.2 | 110.5 | 125.5 | -157.9 | -43.7 | 0 | 0 | 0 | 109.8 | Q36 | N34-Q36 PolarHBondContact O-N 3.3Š| |||
| 35 | L | 41.9 | Very low | 39.8 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 111.8 | 167.2 | -75.4 | 164.7 | 0 | 0 | 0 | 108.2 | A37 | L35-A37 PolarHBondContact O-N 3.28Š| ||
| 36 | Q | 37 | Very low | 39.6 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 109.9 | 171.8 | -167.1 | 178.3 | -72.7 | 0 | 0 | 110.1 | N34 | N34-Q36 PolarHBondContact O-N 3.3Š| ||
| 37 | A | 36.8 | Very low | 40.2 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | 64.8 | 116.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | L35 | L35-A37 PolarHBondContact O-N 3.28Š| ||
| 38 | S | 47.4 | Very low | 39.8 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 70.3 | 96.8 | 121.2 | -164.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 39 | G | 31.7 | Very low | 40.3 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -175.1 | 75.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S41 | G39-S41 PolarHBondContact O-N 2.95Š| ||
| 40 | E | 39 | Very low | 40.3 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -63 | 109.8 | 164.8 | 29 | 173.5 | 114.9 | 0 | 0 | 109.8 | ||||
| 41 | S | 32.6 | Very low | 40.7 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -159.2 | 122.1 | 146.5 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | G39 | G39-S41 PolarHBondContact O-N 2.95Š| ||
| 42 | V | 41.8 | Very low | 41.5 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -68.3 | 140.4 | 166 | 165.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 43 | G | 35.7 | Very low | 42.3 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | 167.9 | 80.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 44 | E | 39.7 | Very low | 43.2 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 35.8 | 126.2 | 124.5 | -76.5 | 178.1 | 145.7 | 0 | 0 | 120.8 | |||||
| 45 | E | 43.8 | Very low | 44.6 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 66.8 | 119 | 146.4 | -47.7 | -61.7 | 125.8 | 0 | 0 | 119.7 | ||||
| 46 | A | 35.9 | Very low | 45.8 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 172.9 | 118.6 | 118.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 47 | D | 48.9 | Very low | 47 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -44.5 | 129.8 | 158.2 | -179.8 | 28.3 | 0 | 0 | 0 | 111.9 | ||||
| 48 | G | 36.4 | Very low | 48.4 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -170.4 | 71.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 | G48-L50 PolarHBondContact O-N 3.48Å; G48-L50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | S | 54.3 | Low | 49.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -11.4 | 102.9 | 158.5 | 166.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 50 | L | 43.4 | Very low | 50.7 | Low | 160 Ų | 160 | 134.7 Ų | 134.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -142.7 | 95.3 | 152.4 | -68.9 | -179.4 | 0 | 0 | 0 | 109.3 | G48 A52 | G48-L50 PolarHBondContact O-N 3.48Å; G48-L50 VanDerWaalsContact O-N 3.14Å; L50-A52 PolarHBondContact O-N 3.21Å | ||
| 51 | R | 55.7 | Low | 52.1 | Low | 248 Ų | 248 | 131.2 Ų | 131.2 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | -63.4 | 78.6 | 160.2 | -115.2 | -80.4 | -171.1 | 179.9 | 0.4 | 107.6 | E53 | R51-E53 PolarHBondContact O-N 3Š| ||
| 52 | A | 53.3 | Low | 53.8 | Low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -80.1 | 98.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | L50 | L50-A52 PolarHBondContact O-N 3.21Š| ||
| 53 | E | 60.1 | Low | 54.9 | Low | 152 Ų | 152 | 136.1 Ų | 136.1 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | -55.9 | 124.6 | 163.3 | -172.2 | -155.5 | 144.3 | 0 | 0 | 108.5 | R51 A55 | R51-E53 PolarHBondContact O-N 3Å; E53-A55 PolarHBondContact O-N 3.18Å | ||
| 54 | P | 59.6 | Low | 56.4 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 105.5 | 172.8 | 26.3 | -28.9 | 0 | 0 | 0 | 107.8 | Q56 | P54-Q56 PolarHBondContact O-N 3.2Å; P54-Q56 VanDerWaalsContact O-N 3.16Å | ||
| 55 | A | 62.6 | Low | 57.8 | Low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 122.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E53 | E53-A55 PolarHBondContact O-N 3.18Š|
| 56 | Q | 65.8 | Low | 59 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 139.9 | 176.6 | -72.9 | -85.2 | -72.9 | 0 | 0 | 110.5 | P54 S58 | P54-Q56 PolarHBondContact O-N 3.2Å; P54-Q56 VanDerWaalsContact O-N 3.16Å; Q56-S58 PolarHBondContact O-N 3.06Å |
| 57 | P | 63 | Low | 60.4 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.8 | 174.6 | 25.9 | -32.3 | 0 | 0 | 0 | 109.2 | ||
| 58 | S | 65.7 | Low | 61.5 | Low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51 | 136.3 | 172.2 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | Q56 E60 | Q56-S58 PolarHBondContact O-N 3.06Å; S58-E60 PolarHBondContact O-N 3.05Å; S58-E60 VanDerWaalsContact O-N 3.13Å |
| 59 | P | 63.8 | Low | 63.2 | Low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 124.6 | 173.9 | 22.2 | -30.1 | 0 | 0 | 0 | 108.7 | ||
| 60 | E | 63.7 | Low | 64.2 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 139.1 | 175.6 | -66 | -178.9 | 158.5 | 0 | 0 | 109.2 | S58 K62 | S58-E60 PolarHBondContact O-N 3.05Å; S58-E60 VanDerWaalsContact O-N 3.13Å; E60-K62 PolarHBondContact O-N 2.99Å |
| 61 | P | 68.9 | Low | 66.1 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -59.9 | 110 | 176.2 | 25.3 | -31.4 | 0 | 0 | 0 | 107.3 | E63 | P61-E63 PolarHBondContact O-N 3.45Š| ||
| 62 | K | 68.6 | Low | 67.4 | Low | 195 Ų | 195 | 128.3 Ų | 128.3 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | trans | -56.1 | 110 | 171.5 | -67.2 | 176.6 | -178.1 | 178.1 | 0 | 105.7 | E60 D64 | E60-K62 PolarHBondContact O-N 2.99Å; K62-D64 PolarHBondContact O-N 3.45Å | ||
| 63 | E | 63.9 | Low | 68.7 | Low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -66.5 | 85.2 | 175.6 | -165.6 | 148.1 | 154.7 | 0 | 0 | 107.5 | P61 T65 | P61-E63 PolarHBondContact O-N 3.45Å; E63-T65 VanDerWaalsContact CG-OG1 3.26Å; E63-T65 WeakPolarHBondContact CG-OG1 3.5Å; E63-T65 PolarHBondContact O-N 2.83Å | ||
| 64 | D | 67.4 | Low | 69.6 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -74.9 | 51.3 | 169.7 | -173.8 | 44.7 | 0 | 0 | 0 | 108.5 | K62 P66 | K62-D64 PolarHBondContact O-N 3.45Å; D64-P66 WeakPolarHBondContact O-CD 3.44Å | ||
| 65 | T | 69.9 | Low | 70.8 | Confident | 85 Ų | 85 | 125.3 Ų | 125.3 | 52% | 0.521 | 67% | 0.674 | S | S | . | * | trans | -83.5 | 108.2 | 165.7 | -55.1 | 0 | 0 | 0 | 0 | 104.5 | E63 T67 | E63-T65 VanDerWaalsContact CG-OG1 3.26Å; E63-T65 WeakPolarHBondContact CG-OG1 3.5Å; E63-T65 PolarHBondContact O-N 2.83Å; T65-T67 PolarHBondContact O-N 2.85Å | ||
| 66 | P | 67.7 | Low | 71.7 | Confident | 99 Ų | 99 | 126.5 Ų | 126.5 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | -65.4 | 93.8 | 176.7 | 25.7 | -32.6 | 0 | 0 | 0 | 107.1 | D64 R68 | D64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-R68 PolarHBondContact O-N 3.47Å | ||
| 67 | T | 66.1 | Low | 72.6 | Confident | 114 Ų | 114 | 125.6 Ų | 125.6 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | trans | -62.2 | 94.6 | 168.1 | -61.2 | 0 | 0 | 0 | 0 | 104.4 | T65 H69 | T65-T67 PolarHBondContact O-N 2.85Å; T67-H69 PolarHBondContact O-N 2.95Å | ||
| 68 | R | 71.7 | Confident | 73.8 | Confident | 224 Ų | 224 | 121.1 Ų | 121.1 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | trans | -65.8 | 89.5 | 171.8 | -70.4 | -171.6 | -179.5 | -178.3 | 1 | 105.4 | P66 L70 | P66-R68 PolarHBondContact O-N 3.47Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.37Å | ||
| 69 | H | 73.1 | Confident | 75 | Confident | 156 Ų | 156 | 120.1 Ų | 120.1 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | trans | -63.8 | 97.8 | 178.6 | -144.7 | -66.7 | 0 | 0 | 0 | 106.1 | T67 N71 | T67-H69 PolarHBondContact O-N 2.95Å; H69-N71 PolarHBondContact O-N 2.99Å | ||
| 70 | L | 74.1 | Confident | 76.3 | Confident | 116 Ų | 116 | 119.8 Ų | 119.8 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | trans | -68.1 | 127.3 | 171.8 | -66.4 | 175.6 | 0 | 0 | 0 | 106.5 | R68 V75 | R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.37Å; L70-V75 HydrophobicContact CB-CG2 3.97Å | ||
| 71 | N | 83.6 | Confident | 77.8 | Confident | 79 Ų | 79 | 117.7 Ų | 117.7 | 42% | 0.422 | 60% | 0.602 | S | S | . | * | trans | -62.8 | 130.2 | 175.8 | -65.8 | -52.2 | 0 | 0 | 0 | 108.1 | H69 E73 E74 V75 | H69-N71 PolarHBondContact O-N 2.99Å; N71-E73 PolarHBondContact O-N 3.31Å; N71-E73 VanDerWaalsContact O-N 3.12Å; N71-E74 HydrophobicContact CB-CB 4.33Å; N71-E74 HydrophobicContact CB-CG 4.05Å; N71-E74 PolarHBondContact ND2-OE1 2.93Å; N71-E74 WeakPolarHBondContact O-CA 3.48Å; N71-E74 WeakPolarHBondContact O-CB 3.25Å; N71-E74 PolarHBondContact O-N 2.94Å; N71-V75 PolarHBondContact O-N 3.25Å; N71-V75 VanDerWaalsContact O-N 3.12Å | ||
| 72 | P | 82.8 | Confident | 79 | Confident | 73 Ų | 73 | 117.5 Ų | 117.5 | 47% | 0.474 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.1 | -30.6 | -178.7 | 19.7 | -28.4 | 0 | 0 | 0 | 112.2 | E74 V75 I76 | P72-E74 PolarHBondContact O-N 3.34Å; P72-V75 WeakPolarHBondContact O-CB 3.48Å; P72-V75 PolarHBondContact O-N 3.16Å; P72-I76 WeakPolarHBondContact O-CD1 3.39Å; P72-I76 WeakPolarHBondContact O-CG1 3.24Å; P72-I76 PolarHBondContact O-N 3.19Å |
| 73 | E | 79.8 | Confident | 80.3 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -33.4 | 174.6 | -65.3 | 70.8 | -155.5 | 0 | 0 | 113.2 | N71 R77 | N71-E73 PolarHBondContact O-N 3.31Å; N71-E73 VanDerWaalsContact O-N 3.12Å; E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 WeakPolarHBondContact O-CG 3.35Å; E73-R77 PolarHBondContact O-N 3.4Å |
| 74 | E | 80.6 | Confident | 81.8 | Confident | 92 Ų | 92 | 115.2 Ų | 115.2 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.5 | -36.3 | 174.1 | -70.8 | 172.8 | -155.2 | 0 | 0 | 111.4 | N71 P72 R77 G78 | N71-E74 HydrophobicContact CB-CB 4.33Å; N71-E74 HydrophobicContact CB-CG 4.05Å; N71-E74 PolarHBondContact ND2-OE1 2.93Å; N71-E74 WeakPolarHBondContact O-CA 3.48Å; N71-E74 WeakPolarHBondContact O-CB 3.25Å; N71-E74 PolarHBondContact O-N 2.94Å; P72-E74 PolarHBondContact O-N 3.34Å; E74-R77 PolarHBondContact O-N 2.87Å; E74-G78 PolarHBondContact O-N 3.14Å |
| 75 | V | 83.6 | Confident | 83.3 | Confident | 75 Ų | 75 | 112.5 Ų | 112.5 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.3 | -48.2 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | L70 N71 P72 R77 G78 V79 | L70-V75 HydrophobicContact CB-CG2 3.97Å; N71-V75 PolarHBondContact O-N 3.25Å; N71-V75 VanDerWaalsContact O-N 3.12Å; P72-V75 WeakPolarHBondContact O-CB 3.48Å; P72-V75 PolarHBondContact O-N 3.16Å; V75-R77 PolarHBondContact O-N 3Å; V75-G78 PolarHBondContact O-N 3.45Å; V75-G78 VanDerWaalsContact O-N 3.15Å; V75-V79 WeakPolarHBondContact O-CG2 3.29Å; V75-V79 PolarHBondContact O-N 3.38Å; V75-V79 VanDerWaalsContact O-N 3.08Å |
| 76 | I | 82.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.9 | -47.2 | 178.6 | -66.7 | 160.7 | 0 | 0 | 0 | 110.7 | P72 G78 V79 | P72-I76 WeakPolarHBondContact O-CD1 3.39Å; P72-I76 WeakPolarHBondContact O-CG1 3.24Å; P72-I76 PolarHBondContact O-N 3.19Å; I76-G78 VanDerWaalsContact C-N 3.32Å; I76-G78 PolarHBondContact O-N 3.23Å; I76-V79 PolarHBondContact O-N 3.37Å |
| 77 | R | 84 | Confident | 86 | Confident | 149 Ų | 149 | 117.3 Ų | 117.3 | 56% | 0.562 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.5 | -37.1 | 175.1 | -79.9 | 171.8 | 42.8 | -122.1 | -15.7 | 113.2 | E73 E74 V75 V79 | E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 WeakPolarHBondContact O-CG 3.35Å; E73-R77 PolarHBondContact O-N 3.4Å; E74-R77 PolarHBondContact O-N 2.87Å; V75-R77 PolarHBondContact O-N 3Å; R77-V79 VanDerWaalsContact C-N 3.28Å; R77-V79 PolarHBondContact O-N 3.35Å |
| 78 | G | 87.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 115.5 Ų | 115.5 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -67.1 | -27.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E74 V75 I76 E81 L82 | E74-G78 PolarHBondContact O-N 3.14Å; V75-G78 PolarHBondContact O-N 3.45Å; V75-G78 VanDerWaalsContact O-N 3.15Å; I76-G78 VanDerWaalsContact C-N 3.32Å; I76-G78 PolarHBondContact O-N 3.23Å; G78-E81 PolarHBondContact O-N 3.38Å; G78-L82 VanDerWaalsContact O-CB 3.32Å; G78-L82 WeakPolarHBondContact O-CB 3.46Å; G78-L82 WeakPolarHBondContact O-CG 3.36Å; G78-L82 PolarHBondContact O-N 3.19Å |
| 79 | V | 91.3 | Very high | 88.8 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | V75 I76 R77 E81 L82 E83 | V75-V79 WeakPolarHBondContact O-CG2 3.29Å; V75-V79 PolarHBondContact O-N 3.38Å; V75-V79 VanDerWaalsContact O-N 3.08Å; I76-V79 PolarHBondContact O-N 3.37Å; R77-V79 VanDerWaalsContact C-N 3.28Å; R77-V79 PolarHBondContact O-N 3.35Å; V79-E81 PolarHBondContact O-N 2.85Å; V79-L82 PolarHBondContact O-N 3.05Å; V79-E83 WeakPolarHBondContact O-CB 3.28Å; V79-E83 PolarHBondContact O-N 3.14Å |
| 80 | D | 91.4 | Very high | 90 | Very high | 108 Ų | 108 | 107.6 Ų | 107.6 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 179.3 | -67.5 | -17.9 | 0 | 0 | 0 | 111.8 | E83 R84 | D80-E83 PolarHBondContact O-N 2.98Å; D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.42Å |
| 81 | E | 94.4 | Very high | 91.1 | Very high | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 176.5 | -67.7 | 178.8 | -169.9 | 0 | 0 | 111.6 | G78 V79 R84 L85 | G78-E81 PolarHBondContact O-N 3.38Å; V79-E81 PolarHBondContact O-N 2.85Å; E81-R84 PolarHBondContact O-N 3.39Å; E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 PolarHBondContact O-N 2.92Å |
| 82 | L | 94.7 | Very high | 91.8 | Very high | 117 Ų | 117 | 108.9 Ų | 108.9 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 175.3 | -76.3 | 174 | 0 | 0 | 0 | 112 | G78 V79 L85 R86 | G78-L82 VanDerWaalsContact O-CB 3.32Å; G78-L82 WeakPolarHBondContact O-CB 3.46Å; G78-L82 WeakPolarHBondContact O-CG 3.36Å; G78-L82 PolarHBondContact O-N 3.19Å; V79-L82 PolarHBondContact O-N 3.05Å; L82-L85 PolarHBondContact O-N 2.57Å; L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 2.93Å |
| 83 | E | 96.1 | Very high | 92.5 | Very high | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 175.5 | -177.7 | 167.3 | -152.3 | 0 | 0 | 111.2 | V79 D80 L85 R86 E87 | V79-E83 WeakPolarHBondContact O-CB 3.28Å; V79-E83 PolarHBondContact O-N 3.14Å; D80-E83 PolarHBondContact O-N 2.98Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.77Å; E83-R86 WeakPolarHBondContact O-CB 3.36Å; E83-R86 PolarHBondContact O-N 2.86Å; E83-R86 VanDerWaalsContact O-N 3.16Å; E83-E87 PolarHBondContact O-N 2.94Å |
| 84 | R | 96.5 | Very high | 93.4 | Very high | 188 Ų | 188 | 112.2 Ų | 112.2 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 174.2 | 178.2 | -176.3 | 152.5 | -169.8 | -7.4 | 111.7 | D80 E81 R86 E87 E88 | D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.42Å; E81-R84 PolarHBondContact O-N 3.39Å; R84-R86 VanDerWaalsContact C-N 3.33Å; R84-R86 PolarHBondContact O-N 3.31Å; R84-E87 PolarHBondContact O-N 3.46Å; R84-E88 PolarHBondContact O-N 3.14Å |
| 85 | L | 97.2 | Very high | 94.1 | Very high | 90 Ų | 90 | 115.2 Ų | 115.2 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.2 | 179.2 | 62.3 | 0 | 0 | 0 | 111.4 | E81 L82 E83 E87 E88 I89 | E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 PolarHBondContact O-N 2.92Å; L82-L85 PolarHBondContact O-N 2.57Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.77Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 3.04Å; L85-E88 PolarHBondContact O-N 2.89Å; L85-I89 HydrophobicContact CD1-CD1 4.39Å; L85-I89 HydrophobicContact CD1-CG1 4.48Å; L85-I89 HydrophobicContact CG-CD1 4.09Å; L85-I89 WeakPolarHBondContact O-CG1 3.21Å; L85-I89 PolarHBondContact O-N 3.46Å |
| 86 | R | 97.6 | Very high | 94.8 | Very high | 183 Ų | 183 | 117.6 Ų | 117.6 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 177.9 | -166.5 | 178.4 | -174.8 | -166 | 2.9 | 111.6 | L82 E83 R84 R90 | L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 2.93Å; E83-R86 WeakPolarHBondContact O-CB 3.36Å; E83-R86 PolarHBondContact O-N 2.86Å; E83-R86 VanDerWaalsContact O-N 3.16Å; R84-R86 VanDerWaalsContact C-N 3.33Å; R84-R86 PolarHBondContact O-N 3.31Å; R86-R90 WeakPolarHBondContact O-CB 3.31Å; R86-R90 PolarHBondContact O-N 3.33Å |
| 87 | E | 97.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 116.3 Ų | 116.3 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 172.6 | -172.4 | 63.1 | -113.1 | 0 | 0 | 111.4 | E83 R84 L85 I89 R90 R91 | E83-E87 PolarHBondContact O-N 2.94Å; R84-E87 PolarHBondContact O-N 3.46Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 3.04Å; E87-I89 PolarHBondContact O-N 3.27Å; E87-R90 CarbonylContact O-C 3.6Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 VanDerWaalsContact O-N 3.14Å; E87-R90 IonicContact OE1-CZ 4Å; E87-R90 IonicContact OE1-NH1 2.77Å; E87-R90 PolarHBondContact OE1-NH1 2.79Å; E87-R90 IonicContact OE2-CZ 3.73Å; E87-R90 IonicContact OE2-NH1 2.57Å; E87-R90 PolarHBondContact OE2-NH1 3.42Å; E87-R91 WeakPolarHBondContact O-CB 3.33Å; E87-R91 PolarHBondContact O-N 3.45Å |
| 88 | E | 98 | Very high | 95.9 | Very high | 76 Ų | 76 | 113.6 Ų | 113.6 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.7 | -179.9 | 148.4 | -137.3 | 0 | 0 | 112.3 | R84 L85 R90 R91 V92 | R84-E88 PolarHBondContact O-N 3.14Å; L85-E88 PolarHBondContact O-N 2.89Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 2.88Å; E88-R91 PolarHBondContact O-N 2.95Å; E88-R91 IonicContact OE1-NH2 2.97Å; E88-R91 PolarHBondContact OE1-NH2 3.18Å; E88-V92 HydrophobicContact CG-CG2 4.45Å; E88-V92 WeakPolarHBondContact O-CB 3.49Å; E88-V92 WeakPolarHBondContact O-CG2 3.39Å; E88-V92 PolarHBondContact O-N 2.95Å |
| 89 | I | 98.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 117.7 Ų | 117.7 | 55% | 0.549 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 173.4 | -68.6 | 167.1 | 0 | 0 | 0 | 110.1 | L85 E87 R93 | L85-I89 HydrophobicContact CD1-CD1 4.39Å; L85-I89 HydrophobicContact CD1-CG1 4.48Å; L85-I89 HydrophobicContact CG-CD1 4.09Å; L85-I89 WeakPolarHBondContact O-CG1 3.21Å; L85-I89 PolarHBondContact O-N 3.46Å; E87-I89 PolarHBondContact O-N 3.27Å; I89-R93 VanDerWaalsContact O-CB 3.31Å; I89-R93 WeakPolarHBondContact O-CB 3.38Å; I89-R93 PolarHBondContact O-N 3.4Å |
| 90 | R | 98.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 117.6 Ų | 117.6 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.6 | -160.4 | -173.7 | -52.5 | 104.7 | -4.8 | 111.7 | R86 E87 E88 R93 N94 | R86-R90 WeakPolarHBondContact O-CB 3.31Å; R86-R90 PolarHBondContact O-N 3.33Å; E87-R90 CarbonylContact O-C 3.6Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 VanDerWaalsContact O-N 3.14Å; E87-R90 IonicContact OE1-CZ 4Å; E87-R90 IonicContact OE1-NH1 2.77Å; E87-R90 PolarHBondContact OE1-NH1 2.79Å; E87-R90 IonicContact OE2-CZ 3.73Å; E87-R90 IonicContact OE2-NH1 2.57Å; E87-R90 PolarHBondContact OE2-NH1 3.42Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 2.88Å; R90-R93 PolarHBondContact O-N 2.84Å; R90-N94 WeakPolarHBondContact O-CB 3.49Å; R90-N94 PolarHBondContact O-N 3.14Å |
| 91 | R | 98.1 | Very high | 96.1 | Very high | 157 Ų | 157 | 120.1 Ų | 120.1 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -48.9 | 177.9 | -176.8 | -176.5 | 71 | 153.2 | -2.6 | 111.5 | E87 E88 N94 K95 | E87-R91 WeakPolarHBondContact O-CB 3.33Å; E87-R91 PolarHBondContact O-N 3.45Å; E88-R91 PolarHBondContact O-N 2.95Å; E88-R91 IonicContact OE1-NH2 2.97Å; E88-R91 PolarHBondContact OE1-NH2 3.18Å; R91-N94 PolarHBondContact O-N 2.86Å; R91-K95 PolarHBondContact O-N 3.47Å |
| 92 | V | 98.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 120.3 Ų | 120.3 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | E88 N94 K95 F96 | E88-V92 HydrophobicContact CG-CG2 4.45Å; E88-V92 WeakPolarHBondContact O-CB 3.49Å; E88-V92 WeakPolarHBondContact O-CG2 3.39Å; E88-V92 PolarHBondContact O-N 2.95Å; V92-N94 VanDerWaalsContact C-N 3.33Å; V92-N94 PolarHBondContact O-N 3.3Å; V92-K95 WeakPolarHBondContact O-CB 3.33Å; V92-K95 PolarHBondContact O-N 3.4Å; V92-K95 VanDerWaalsContact O-N 3.14Å; V92-F96 HydrophobicContact CG1-CD2 3.84Å; V92-F96 HydrophobicContact CG1-CE2 3.72Å; V92-F96 VanDerWaalsContact O-CD2 3.31Å; V92-F96 WeakPolarHBondContact O-CD2 3.31Å; V92-F96 PolarHBondContact O-N 3.49Å |
| 93 | R | 97.7 | Very high | 95.3 | Very high | 173 Ų | 173 | 118.8 Ų | 118.8 | 65% | 0.653 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.2 | -46 | 176.8 | -166.7 | -173.2 | 90.7 | -163.4 | 7.3 | 112 | I89 R90 K95 F96 V97 | I89-R93 VanDerWaalsContact O-CB 3.31Å; I89-R93 WeakPolarHBondContact O-CB 3.38Å; I89-R93 PolarHBondContact O-N 3.4Å; R90-R93 PolarHBondContact O-N 2.84Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 3.36Å; R93-F96 PolarHBondContact O-N 3.16Å; R93-V97 WeakPolarHBondContact O-CG2 3.38Å; R93-V97 PolarHBondContact O-N 2.97Å |
| 94 | N | 97 | Very high | 94.7 | Very high | 91 Ų | 91 | 119.8 Ų | 119.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.8 | -169.5 | -1.2 | 0 | 0 | 0 | 111.5 | R90 R91 V92 F96 V97 M98 | R90-N94 WeakPolarHBondContact O-CB 3.49Å; R90-N94 PolarHBondContact O-N 3.14Å; R91-N94 PolarHBondContact O-N 2.86Å; V92-N94 VanDerWaalsContact C-N 3.33Å; V92-N94 PolarHBondContact O-N 3.3Å; N94-F96 VanDerWaalsContact C-N 3.32Å; N94-F96 PolarHBondContact O-N 2.93Å; N94-V97 PolarHBondContact O-N 2.94Å; N94-M98 WeakPolarHBondContact O-CB 3.46Å; N94-M98 PolarHBondContact O-N 3.48Å |
| 95 | K | 97.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 115 Ų | 115 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.8 | -44.5 | 174 | -172.9 | 179.4 | 179.5 | -178.1 | 0 | 111.8 | R91 V92 R93 M98 M99 | R91-K95 PolarHBondContact O-N 3.47Å; V92-K95 WeakPolarHBondContact O-CB 3.33Å; V92-K95 PolarHBondContact O-N 3.4Å; V92-K95 VanDerWaalsContact O-N 3.14Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 3.36Å; K95-M98 PolarHBondContact O-N 3.29Å; K95-M99 WeakPolarHBondContact O-CB 3.44Å; K95-M99 PolarHBondContact O-N 3.08Å |
| 96 | F | 96.6 | Very high | 92.6 | Very high | 124 Ų | 124 | 114.7 Ų | 114.7 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.9 | -85.7 | -85.3 | 0 | 0 | 0 | 112.3 | V92 R93 N94 M98 M99 H100 | V92-F96 HydrophobicContact CG1-CD2 3.84Å; V92-F96 HydrophobicContact CG1-CE2 3.72Å; V92-F96 VanDerWaalsContact O-CD2 3.31Å; V92-F96 WeakPolarHBondContact O-CD2 3.31Å; V92-F96 PolarHBondContact O-N 3.49Å; R93-F96 PolarHBondContact O-N 3.16Å; N94-F96 VanDerWaalsContact C-N 3.32Å; N94-F96 PolarHBondContact O-N 2.93Å; F96-M98 VanDerWaalsContact C-N 3.34Å; F96-M98 PolarHBondContact O-N 3.43Å; F96-M99 HydrophobicContact CD1-CE 4.13Å; F96-M99 HydrophobicContact CE1-CE 4.3Å; F96-M99 PolarHBondContact O-N 3.42Å; F96-H100 VanDerWaalsContact O-CB 3.28Å; F96-H100 WeakPolarHBondContact O-CB 3.32Å; F96-H100 PolarHBondContact O-N 2.84Å |
| 97 | V | 95.3 | Very high | 91.2 | Very high | 87 Ų | 87 | 114.9 Ų | 114.9 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | R93 N94 H100 W101 | R93-V97 WeakPolarHBondContact O-CG2 3.38Å; R93-V97 PolarHBondContact O-N 2.97Å; N94-V97 PolarHBondContact O-N 2.94Å; V97-H100 PolarHBondContact O-N 2.91Å; V97-W101 VanDerWaalsContact O-CB 3.25Å; V97-W101 WeakPolarHBondContact O-CB 3.4Å; V97-W101 PolarHBondContact O-N 2.94Å |
| 98 | M | 95.2 | Very high | 89.8 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | -178.7 | -169.4 | 177.6 | -59.3 | 0 | 0 | 112.6 | N94 K95 F96 K102 | N94-M98 WeakPolarHBondContact O-CB 3.46Å; N94-M98 PolarHBondContact O-N 3.48Å; K95-M98 PolarHBondContact O-N 3.29Å; F96-M98 VanDerWaalsContact C-N 3.34Å; F96-M98 PolarHBondContact O-N 3.43Å; M98-K102 HydrophobicContact CG-CD 4.43Å; M98-K102 WeakPolarHBondContact O-CB 3.44Å; M98-K102 VanDerWaalsContact O-CG 3.29Å; M98-K102 WeakPolarHBondContact O-CG 3.42Å; M98-K102 PolarHBondContact O-N 3.28Å |
| 99 | M | 94.4 | Very high | 88.5 | Confident | 109 Ų | 109 | 120.8 Ų | 120.8 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -49 | 175.6 | -176.2 | 177.3 | 77.9 | 0 | 0 | 111 | K95 F96 K102 Q103 | K95-M99 WeakPolarHBondContact O-CB 3.44Å; K95-M99 PolarHBondContact O-N 3.08Å; F96-M99 HydrophobicContact CD1-CE 4.13Å; F96-M99 HydrophobicContact CE1-CE 4.3Å; F96-M99 PolarHBondContact O-N 3.42Å; M99-K102 PolarHBondContact O-N 3.47Å; M99-Q103 WeakPolarHBondContact O-CB 3.2Å; M99-Q103 PolarHBondContact O-N 3.44Å |
| 100 | H | 91.3 | Very high | 87.4 | Confident | 78 Ų | 78 | 121.2 Ų | 121.2 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -36.5 | -179.7 | 177.4 | -106.7 | 0 | 0 | 0 | 112.4 | F96 V97 Q103 R104 | F96-H100 VanDerWaalsContact O-CB 3.28Å; F96-H100 WeakPolarHBondContact O-CB 3.32Å; F96-H100 PolarHBondContact O-N 2.84Å; V97-H100 PolarHBondContact O-N 2.91Å; H100-Q103 PolarHBondContact O-N 2.91Å; H100-R104 PolarHBondContact CE1-NE 3.12Å; H100-R104 PolarHBondContact CE1-NH2 2.88Å; H100-R104 VanDerWaalsContact NE2-CZ 3.28Å; H100-R104 PolarHBondContact NE2-NE 3.39Å; H100-R104 PolarHBondContact NE2-NH2 2.75Å; H100-R104 VanDerWaalsContact NE2-NH2 3.2Å; H100-R104 PolarHBondContact O-N 3.12Å |
| 101 | W | 88.5 | Confident | 86.1 | Confident | 161 Ų | 161 | 126.2 Ų | 126.2 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.3 | -53.2 | 170.4 | 177.1 | -90.4 | 0 | 0 | 0 | 110.9 | V97 Q103 R104 H105 | V97-W101 VanDerWaalsContact O-CB 3.25Å; V97-W101 WeakPolarHBondContact O-CB 3.4Å; V97-W101 PolarHBondContact O-N 2.94Å; W101-Q103 VanDerWaalsContact C-N 3.3Å; W101-Q103 PolarHBondContact O-N 3.15Å; W101-R104 PolarHBondContact O-N 3.47Å; W101-H105 AromaticContact CD1-ND1 3.95Å; W101-H105 AromaticContact CD2-CE1 3.31Å; W101-H105 AromaticContact CD2-ND1 3.45Å; W101-H105 AromaticContact CE2-CE1 3.4Å; W101-H105 VanDerWaalsContact CE2-CE1 3.4Å; W101-H105 AromaticContact CE2-ND1 3.49Å; W101-H105 AromaticContact CE2-NE2 3.93Å; W101-H105 AromaticContact CE3-CE1 3.28Å; W101-H105 AromaticContact CE3-ND1 3.89Å; W101-H105 AromaticContact CG-ND1 3.76Å; W101-H105 AromaticContact CH2-CE1 3.44Å; W101-H105 VanDerWaalsContact CH2-CE1 3.44Å; W101-H105 WeakPolarHBondContact CH2-CE1 3.21Å; W101-H105 AromaticContact CH2-NE2 3.5Å; W101-H105 WeakPolarHBondContact CH2-NE2 3.46Å; W101-H105 AromaticContact CZ2-CE1 3.48Å; W101-H105 VanDerWaalsContact CZ2-CE1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-CE1 3.49Å; W101-H105 AromaticContact CZ2-ND1 3.95Å; W101-H105 AromaticContact CZ2-NE2 3.57Å; W101-H105 AromaticContact CZ3-CE1 3.35Å; W101-H105 WeakPolarHBondContact CZ3-CE1 3.41Å; W101-H105 AromaticContact CZ3-NE2 3.81Å; W101-H105 AromaticContact NE1-ND1 3.79Å; W101-H105 PolarHBondContact O-N 2.79Å; W101-H105 PolarHBondContact O-ND1 2.7Å |
| 102 | K | 85.8 | Confident | 85 | Confident | 133 Ų | 133 | 123.8 Ų | 123.8 | 58% | 0.578 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.1 | -41.1 | 178.5 | -72.9 | 175.1 | -178.9 | -175.4 | 0 | 111.9 | M98 M99 S106 | M98-K102 HydrophobicContact CG-CD 4.43Å; M98-K102 WeakPolarHBondContact O-CB 3.44Å; M98-K102 VanDerWaalsContact O-CG 3.29Å; M98-K102 WeakPolarHBondContact O-CG 3.42Å; M98-K102 PolarHBondContact O-N 3.28Å; M99-K102 PolarHBondContact O-N 3.47Å; K102-S106 VanDerWaalsContact O-CB 3.24Å; K102-S106 WeakPolarHBondContact O-CB 3.41Å; K102-S106 PolarHBondContact O-N 2.93Å; K102-S106 PolarHBondContact O-OG 3.05Å |
| 103 | Q | 87.5 | Confident | 83.9 | Confident | 85 Ų | 85 | 126.7 Ų | 126.7 | 40% | 0.397 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 179.3 | -174.1 | -177.6 | 32.8 | 0 | 0 | 113 | M99 H100 W101 S106 R107 | M99-Q103 WeakPolarHBondContact O-CB 3.2Å; M99-Q103 PolarHBondContact O-N 3.44Å; H100-Q103 PolarHBondContact O-N 2.91Å; W101-Q103 VanDerWaalsContact C-N 3.3Å; W101-Q103 PolarHBondContact O-N 3.15Å; Q103-S106 PolarHBondContact O-OG 2.86Å; Q103-R107 WeakPolarHBondContact O-CG 3.5Å |
| 104 | R | 81.9 | Confident | 82.9 | Confident | 154 Ų | 154 | 123.4 Ų | 123.4 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -47.8 | 177.4 | -75.9 | -171.1 | 175.5 | 173.4 | 0.5 | 111 | H100 W101 S106 R107 S108 | H100-R104 PolarHBondContact CE1-NE 3.12Å; H100-R104 PolarHBondContact CE1-NH2 2.88Å; H100-R104 VanDerWaalsContact NE2-CZ 3.28Å; H100-R104 PolarHBondContact NE2-NE 3.39Å; H100-R104 PolarHBondContact NE2-NH2 2.75Å; H100-R104 VanDerWaalsContact NE2-NH2 3.2Å; H100-R104 PolarHBondContact O-N 3.12Å; W101-R104 PolarHBondContact O-N 3.47Å; R104-S106 PolarHBondContact O-N 2.91Å; R104-R107 PolarHBondContact O-N 2.74Å; R104-S108 WeakPolarHBondContact O-CB 3.26Å; R104-S108 PolarHBondContact O-N 2.89Å; R104-S108 VanDerWaalsContact O-N 3.08Å; R104-S108 PolarHBondContact O-OG 3.13Å |
| 105 | H | 78.3 | Confident | 81.4 | Confident | 87 Ų | 87 | 128.5 Ų | 128.5 | 40% | 0.403 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.5 | -23.5 | -172.8 | -64.2 | 84.6 | 0 | 0 | 0 | 114 | W101 R107 | W101-H105 AromaticContact CD1-ND1 3.95Å; W101-H105 AromaticContact CD2-CE1 3.31Å; W101-H105 AromaticContact CD2-ND1 3.45Å; W101-H105 AromaticContact CE2-CE1 3.4Å; W101-H105 VanDerWaalsContact CE2-CE1 3.4Å; W101-H105 AromaticContact CE2-ND1 3.49Å; W101-H105 AromaticContact CE2-NE2 3.93Å; W101-H105 AromaticContact CE3-CE1 3.28Å; W101-H105 AromaticContact CE3-ND1 3.89Å; W101-H105 AromaticContact CG-ND1 3.76Å; W101-H105 AromaticContact CH2-CE1 3.44Å; W101-H105 VanDerWaalsContact CH2-CE1 3.44Å; W101-H105 WeakPolarHBondContact CH2-CE1 3.21Å; W101-H105 AromaticContact CH2-NE2 3.5Å; W101-H105 WeakPolarHBondContact CH2-NE2 3.46Å; W101-H105 AromaticContact CZ2-CE1 3.48Å; W101-H105 VanDerWaalsContact CZ2-CE1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-CE1 3.49Å; W101-H105 AromaticContact CZ2-ND1 3.95Å; W101-H105 AromaticContact CZ2-NE2 3.57Å; W101-H105 AromaticContact CZ3-CE1 3.35Å; W101-H105 WeakPolarHBondContact CZ3-CE1 3.41Å; W101-H105 AromaticContact CZ3-NE2 3.81Å; W101-H105 AromaticContact NE1-ND1 3.79Å; W101-H105 PolarHBondContact O-N 2.79Å; W101-H105 PolarHBondContact O-ND1 2.7Å; H105-R107 VanDerWaalsContact C-N 3.32Å |
| 106 | S | 71.8 | Confident | 80 | Confident | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -31.3 | 171.4 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | K102 Q103 R104 | K102-S106 VanDerWaalsContact O-CB 3.24Å; K102-S106 WeakPolarHBondContact O-CB 3.41Å; K102-S106 PolarHBondContact O-N 2.93Å; K102-S106 PolarHBondContact O-OG 3.05Å; Q103-S106 PolarHBondContact O-OG 2.86Å; R104-S106 PolarHBondContact O-N 2.91Å |
| 107 | R | 68.9 | Low | 78.9 | Confident | 187 Ų | 187 | 135.9 Ų | 135.9 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.8 | -18.9 | -179.6 | -66.4 | 178 | 175.4 | 175.7 | -3.1 | 113.5 | Q103 R104 H105 R109 | Q103-R107 WeakPolarHBondContact O-CG 3.5Å; R104-R107 PolarHBondContact O-N 2.74Å; H105-R107 VanDerWaalsContact C-N 3.32Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.29Å |
| 108 | S | 68 | Low | 78.1 | Confident | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | trans | -85.7 | 14.4 | -179.4 | -65.6 | 0 | 0 | 0 | 0 | 114.8 | R104 P110 | R104-S108 WeakPolarHBondContact O-CB 3.26Å; R104-S108 PolarHBondContact O-N 2.89Å; R104-S108 VanDerWaalsContact O-N 3.08Å; R104-S108 PolarHBondContact O-OG 3.13Å; S108-P110 WeakPolarHBondContact O-CD 3.14Å | ||
| 109 | R | 71.3 | Confident | 77.2 | Confident | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -89.5 | 96.2 | 170.3 | -73.2 | -170.9 | 171.8 | -125.9 | -1 | 109.3 | R107 Y111 | R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.16Å | ||
| 110 | P | 75.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | trans | -58.1 | 130.8 | 167.7 | 24.8 | -32.2 | 0 | 0 | 0 | 108 | S108 | S108-P110 WeakPolarHBondContact O-CD 3.14Š| ||
| 111 | Y | 70.7 | Confident | 75.3 | Confident | 213 Ų | 213 | 146.4 Ų | 146.4 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -51.1 | 132.7 | 171.4 | -111.1 | -94.3 | 0 | 0 | 0 | 108.1 | R109 V113 | R109-Y111 PolarHBondContact O-N 3.16Å; Y111-V113 PolarHBondContact O-N 2.99Å | ||
| 112 | P | 74.7 | Confident | 74.5 | Confident | 105 Ų | 105 | 145.5 Ų | 145.5 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | -60.8 | 106.2 | 169.6 | 23.8 | -28.9 | 0 | 0 | 0 | 106.8 | C114 | P112-C114 PolarHBondContact O-N 3.25Š| ||
| 113 | V | 74.9 | Confident | 73.8 | Confident | 125 Ų | 125 | 146.3 Ų | 146.3 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | trans | -67.7 | 91.3 | 168.2 | -121.2 | 0 | 0 | 0 | 0 | 104.9 | Y111 F115 | Y111-V113 PolarHBondContact O-N 2.99Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 2.83Å | ||
| 114 | C | 77.6 | Confident | 72.8 | Confident | 105 Ų | 105 | 150.7 Ų | 150.7 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | trans | -63.9 | 98.8 | 170.3 | -61.2 | 0 | 0 | 0 | 0 | 106.5 | P112 R116 | P112-C114 PolarHBondContact O-N 3.25Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.14Å | ||
| 115 | F | 64.6 | Low | 72.1 | Confident | 198 Ų | 198 | 150.5 Ų | 150.5 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | -60.1 | 103.7 | 158.7 | -76.9 | -87 | 0 | 0 | 0 | 106.3 | V113 | V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 2.83Å | ||
| 116 | R | 68.7 | Low | 71.6 | Confident | 233 Ų | 233 | 155.8 Ų | 155.8 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -72 | 129.8 | 167.9 | -78.4 | -170.1 | 172.8 | -155.8 | -0.6 | 107.5 | C114 | C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.14Å | ||
| 117 | P | 72.3 | Confident | 71.5 | Confident | 202 Ų | 202 | 162.3 Ų | 162.3 | 100% | 1.312 | 81% | 0.81 | S | S | * | * | trans | -59.7 | 0 | 173.4 | -18.1 | 29.7 | 0 | 0 | 0 | 112.7 |
Retrieved 117 of 117 residues in 25.1 ms
(Link to these results)