| 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 | 40.8 | Very low | 55.2 | Low | 245 Ų | 245 | 148.9 Ų | 148.9 | 100% | 1.207 | 81% | 0.81 | S | S | * | * | 0 | 109.4 | 0 | -76.7 | 166.8 | 152.2 | 0 | 0 | 107.1 | |||||
| 2 | S | 53.8 | Low | 56.4 | Low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 138.2 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | S | 52.9 | Low | 56.3 | Low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -167.3 | 81.6 | 152.6 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | E | 50.5 | Low | 56.3 | Low | 150 Ų | 150 | 141.7 Ų | 141.7 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | 20.2 | 100.1 | 127.5 | -157.4 | -172.8 | 88.3 | 0 | 0 | 115.7 | Q6 | E4-Q6 VanDerWaalsContact C-N 3.33Å; E4-Q6 HydrophobicContact CG-CB 4.16Å; E4-Q6 PolarHBondContact O-N 3.03Å; E4-Q6 PolarHBondContact OE1-OE1 3.34Å | |||
| 5 | V | 55.6 | Low | 56.4 | Low | 132 Ų | 132 | 140.2 Ų | 140.2 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 85 | 159.3 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | R7 | V5-R7 PolarHBondContact O-N 2.74Å; V5-R7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | Q | 55.6 | Low | 56.1 | Low | 146 Ų | 146 | 136.1 Ų | 136.1 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 96.1 | 174.5 | -153.5 | 155.9 | -93.8 | 0 | 0 | 108 | E4 P8 | E4-Q6 VanDerWaalsContact C-N 3.33Å; E4-Q6 HydrophobicContact CG-CB 4.16Å; E4-Q6 PolarHBondContact O-N 3.03Å; E4-Q6 PolarHBondContact OE1-OE1 3.34Å; Q6-P8 WeakPolarHBondContact O-CD 3.23Å | ||
| 7 | R | 59.5 | Low | 56.1 | Low | 214 Ų | 214 | 132.6 Ų | 132.6 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 121.7 | 166.6 | -61.7 | -179.9 | -172.7 | 171.3 | 1.9 | 106.6 | V5 D9 | V5-R7 PolarHBondContact O-N 2.74Å; V5-R7 VanDerWaalsContact O-N 3.09Å; R7-D9 PolarHBondContact O-N 2.88Å | ||
| 8 | P | 59.6 | Low | 56.4 | Low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 89.1 | 168.5 | 26.6 | -29.2 | 0 | 0 | 0 | 108.3 | Q6 D10 | Q6-P8 WeakPolarHBondContact O-CD 3.23Å; P8-D10 PolarHBondContact O-N 2.87Å | ||
| 9 | D | 57.9 | Low | 56.7 | Low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -76.2 | 83.3 | 155.7 | -147.7 | -66.4 | 0 | 0 | 0 | 106.2 | R7 | R7-D9 PolarHBondContact O-N 2.88Š| ||
| 10 | D | 60.5 | Low | 56.7 | Low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 79.3 | 169.2 | -159.8 | -86.3 | 0 | 0 | 0 | 107.8 | P8 | P8-D10 PolarHBondContact O-N 2.87Š| ||
| 11 | S | 61 | Low | 56.6 | Low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -99.5 | 109.6 | 163.9 | -67.9 | 0 | 0 | 0 | 0 | 107.7 | S13 | S11-S13 PolarHBondContact O-N 2.83Å; S11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | P | 68.8 | Low | 57.3 | Low | 104 Ų | 104 | 127.3 Ų | 127.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 111.9 | 170.2 | 27.6 | -30.3 | 0 | 0 | 0 | 108.3 | T14 | P12-T14 PolarHBondContact O-N 2.66Å; P12-T14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | S | 55.8 | Low | 57.4 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -64.8 | 104.4 | 159.6 | -70.1 | 0 | 0 | 0 | 0 | 108.1 | S11 | S11-S13 PolarHBondContact O-N 2.83Å; S11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 14 | T | 55.9 | Low | 57.5 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -104.6 | 89.1 | 157.3 | 65 | 0 | 0 | 0 | 0 | 107.6 | P12 G16 | P12-T14 PolarHBondContact O-N 2.66Å; P12-T14 VanDerWaalsContact O-N 3.1Å; T14-G16 PolarHBondContact O-N 2.89Å | ||
| 15 | S | 57.4 | Low | 57.3 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -65.1 | 84.4 | 158.6 | 57.8 | 0 | 0 | 0 | 0 | 108 | G17 | S15-G17 VanDerWaalsContact C-N 3.34Å; S15-G17 PolarHBondContact O-N 3.17Å | ||
| 16 | G | 52.1 | Low | 56.6 | Low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 77.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T14 | T14-G16 PolarHBondContact O-N 2.89Š| ||
| 17 | G | 56.8 | Low | 55.8 | Low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -70.2 | 129.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S15 | S15-G17 VanDerWaalsContact C-N 3.34Å; S15-G17 PolarHBondContact O-N 3.17Å | ||
| 18 | S | 60.3 | Low | 55 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -146.2 | 103.8 | 154.1 | -165.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 19 | S | 61.8 | Low | 54.1 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 153.8 | 165.3 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | D | 57 | Low | 53.3 | Low | 121 Ų | 121 | 131.3 Ų | 131.3 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | 58.6 | 105.8 | 145.7 | -143.1 | -80.6 | 0 | 0 | 0 | 119.8 | E22 | D20-E22 PolarHBondContact OD1-N 3.05Š| ||
| 21 | I | 54.3 | Low | 52.4 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -138.1 | 85 | 132.1 | -147.9 | 86.6 | 0 | 0 | 0 | 108.1 | Q23 | I21-Q23 PolarHBondContact O-N 2.9Š| ||
| 22 | E | 55.7 | Low | 51.6 | Low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 110.2 | 148.9 | -69 | -146.6 | 104.6 | 0 | 0 | 106.8 | D20 | D20-E22 PolarHBondContact OD1-N 3.05Š| ||
| 23 | Q | 57.3 | Low | 50.4 | Low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 169.5 | 85.1 | 154.8 | -95.1 | 163.2 | 99.3 | 0 | 0 | 111.6 | I21 | I21-Q23 PolarHBondContact O-N 2.9Š| ||
| 24 | R | 53.4 | Low | 49.8 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | -170 | 94.5 | 125.4 | -116.8 | 179.8 | 176 | -129.5 | 0.5 | 111 | T26 | R24-T26 PolarHBondContact O-N 3.04Š| |||
| 25 | E | 46.3 | Very low | 49.2 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -44.5 | 124.8 | 144.1 | -176.6 | -172.4 | 125.7 | 0 | 0 | 110.2 | ||||
| 26 | T | 41.4 | Very low | 48.5 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -177.2 | 107.6 | 133.7 | 20.8 | 0 | 0 | 0 | 0 | 110.7 | R24 | R24-T26 PolarHBondContact O-N 3.04Š| ||
| 27 | V | 39.7 | Very low | 47.9 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 155.8 | 163.9 | 161.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 28 | P | 42.3 | Very low | 47.6 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 167.8 | -147.3 | 37.2 | -33.3 | 0 | 0 | 0 | 113.7 | ||||
| 29 | P | 40.6 | Very low | 46.9 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -98.4 | 112.2 | 148.7 | 25.1 | -10.8 | 0 | 0 | 0 | 109.6 | Q31 | P29-Q31 PolarHBondContact O-N 3.37Š| ||
| 30 | E | 40.9 | Very low | 46.5 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -46.4 | 123.9 | 149.9 | -69.4 | -169.3 | 115.9 | 0 | 0 | 109.1 | ||||
| 31 | Q | 41.8 | Very low | 46 | Very low | 183 Ų | 183 | 162.4 Ų | 162.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -115.4 | 70.6 | 156.2 | -75.4 | -164.9 | -30.2 | 0 | 0 | 107.8 | P29 R33 | P29-Q31 PolarHBondContact O-N 3.37Å; Q31-R33 VanDerWaalsContact C-N 3.34Å; Q31-R33 PolarHBondContact O-N 3.05Å | ||
| 32 | E | 43.2 | Very low | 45.9 | Very low | 166 Ų | 166 | 163.5 Ų | 163.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -64.5 | 101.5 | 147.6 | -170.4 | -170.6 | 108.8 | 0 | 0 | 107 | ||||
| 33 | R | 45.1 | Very low | 45.4 | Very low | 238 Ų | 238 | 161.2 Ų | 161.2 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 95.6 | 153.4 | -164.4 | 173.9 | -177 | 175.7 | 2.7 | 108.8 | Q31 | Q31-R33 VanDerWaalsContact C-N 3.34Å; Q31-R33 PolarHBondContact O-N 3.05Å | ||
| 34 | E | 42.4 | Very low | 45.1 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 62% | 0.621 | 79% | 0.794 | S | S | * | * | trans | -45.9 | 146.3 | 162.2 | -114 | -179.2 | 72.1 | 0 | 0 | 113 | ||||
| 35 | Q | 44.3 | Very low | 45.2 | Very low | 165 Ų | 165 | 156 Ų | 156 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | 68.4 | 105.2 | 153.9 | -62.4 | -179.8 | 51.9 | 0 | 0 | 119 | ||||
| 36 | A | 41.3 | Very low | 45.3 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | -176.9 | 110.9 | 119.9 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 37 | Q | 39.9 | Very low | 46 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | 26.7 | 141.2 | 145.7 | -61.8 | -170.7 | 3.7 | 0 | 0 | 122.3 | K39 | Q37-K39 PolarHBondContact O-N 2.89Å; Q37-K39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | P | 51.3 | Low | 46.6 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 104.9 | -175.5 | 32.4 | -33.4 | 0 | 0 | 0 | 111.3 | ||||
| 39 | K | 44.2 | Very low | 47.1 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -115.7 | 100.5 | 169.4 | -70.2 | -173.3 | -178.1 | 177.3 | 0 | 110.5 | Q37 K41 | Q37-K39 PolarHBondContact O-N 2.89Å; Q37-K39 VanDerWaalsContact O-N 3.11Å; K39-K41 PolarHBondContact O-N 3.13Å; K39-K41 VanDerWaalsContact O-N 3.17Å | ||
| 40 | K | 53.6 | Low | 47.9 | Very low | 212 Ų | 212 | 155 Ų | 155 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -10.4 | 102.7 | 157 | -58.3 | 177 | -179.6 | 178.8 | 0 | 113.1 | ||||
| 41 | K | 47.6 | Very low | 48.8 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -119.6 | 114.1 | 152.7 | -94.9 | -176.2 | 177.3 | 179.6 | 0 | 107.5 | K39 T43 | K39-K41 PolarHBondContact O-N 3.13Å; K39-K41 VanDerWaalsContact O-N 3.17Å; K41-T43 VanDerWaalsContact C-N 3.28Å; K41-T43 PolarHBondContact O-N 3.13Å | ||
| 42 | E | 50.7 | Low | 49.6 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -58.3 | 88.2 | 172.5 | -162.7 | -170.5 | 132.3 | 0 | 0 | 108.6 | K44 | E42-K44 PolarHBondContact O-N 3.41Š| ||
| 43 | T | 45.7 | Very low | 50.3 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 99 | 168.3 | -51.5 | 0 | 0 | 0 | 0 | 106 | K41 I45 | K41-T43 VanDerWaalsContact C-N 3.28Å; K41-T43 PolarHBondContact O-N 3.13Å; T43-I45 PolarHBondContact O-N 2.83Å | ||
| 44 | K | 50.9 | Low | 51.5 | Low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -53.5 | 91.1 | 161.1 | -74.2 | -179 | 177.9 | 179.8 | 0 | 107.6 | E42 S46 | E42-K44 PolarHBondContact O-N 3.41Å; K44-S46 PolarHBondContact O-N 3.43Å | ||
| 45 | I | 56.5 | Low | 53.3 | Low | 119 Ų | 119 | 139.5 Ų | 139.5 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -66.9 | 88.8 | 164.5 | 42.4 | 166.3 | 0 | 0 | 0 | 106.1 | T43 S47 | T43-I45 PolarHBondContact O-N 2.83Å; I45-S47 PolarHBondContact O-N 3.15Å; I45-S47 PolarHBondContact O-OG 3.01Å | ||
| 46 | S | 48.9 | Very low | 54.8 | Low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -52 | 104.6 | 171.9 | 170.1 | 0 | 0 | 0 | 0 | 108.1 | K44 K48 | K44-S46 PolarHBondContact O-N 3.43Å; S46-K48 PolarHBondContact O-N 3.37Å | ||
| 47 | S | 55.4 | Low | 56.6 | Low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -74.9 | 40.6 | -166.5 | -32.4 | 0 | 0 | 0 | 0 | 113.1 | I45 | I45-S47 PolarHBondContact O-N 3.15Å; I45-S47 PolarHBondContact O-OG 3.01Å | ||
| 48 | K | 52.5 | Low | 58.3 | Low | 188 Ų | 188 | 130.7 Ų | 130.7 | 82% | 0.817 | 71% | 0.71 | S | S | * | * | trans | -126.1 | 54.8 | -168.8 | -157.1 | 170.7 | -178.4 | 168.4 | 0 | 113.9 | S46 | S46-K48 PolarHBondContact O-N 3.37Š| ||
| 49 | T | 53.3 | Low | 60 | Low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | trans | -130.5 | 12.7 | 163.7 | 22.2 | 0 | 0 | 0 | 0 | 113.5 | A51 | T49-A51 VanDerWaalsContact C-N 3.31Å; T49-A51 PolarHBondContact O-N 3.27Å | ||
| 50 | A | 57.3 | Low | 61.9 | Low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -12 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 51 | A | 58.8 | Low | 63.1 | Low | 96 Ų | 96 | 118.1 Ų | 118.1 | 79% | 0.793 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 3.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | T49 | T49-A51 VanDerWaalsContact C-N 3.31Å; T49-A51 PolarHBondContact O-N 3.27Å |
| 52 | K | 59.9 | Low | 64.8 | Low | 198 Ų | 198 | 115.8 Ų | 115.8 | 86% | 0.861 | 63% | 0.631 | S | S | * | * | trans | -144.9 | 75.1 | 174.3 | -68 | -173.6 | 172.8 | 178.9 | 0 | 111.2 | S54 | K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.3Å | ||
| 53 | L | 57.3 | Low | 66.4 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 35% | 0.351 | 61% | 0.609 | S | S | . | * | trans | -62.2 | 100.6 | 159.3 | -61.7 | 173.7 | 0 | 0 | 0 | 106.9 | A57 K58 Q61 | L53-A57 HydrophobicContact CB-CB 4.02Å; L53-A57 HydrophobicContact CD2-CB 3.7Å; L53-A57 HydrophobicContact CG-CB 4.48Å; L53-K58 HydrophobicContact CB-CG 4.38Å; L53-K58 HydrophobicContact CD1-CG 4.34Å; L53-Q61 VanDerWaalsContact CD1-NE2 3.3Å; L53-Q61 VanDerWaalsContact CD1-OE1 3.31Å | ||
| 54 | S | 70.8 | Confident | 68.1 | Low | 73 Ų | 73 | 108.5 Ų | 108.5 | 51% | 0.51 | 59% | 0.59 | S | S | . | * | trans | -55.8 | 158.7 | 166.8 | 73.3 | 0 | 0 | 0 | 0 | 108.6 | K52 S56 A57 K58 | K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.3Å; S54-S56 CarbonylContact O-C 3.55Å; S54-S56 PolarHBondContact O-N 3.47Å; S54-A57 PolarHBondContact O-N 2.99Å; S54-K58 PolarHBondContact O-N 3.32Å | ||
| 55 | T | 79.6 | Confident | 69.4 | Low | 134 Ų | 134 | 102.9 Ų | 102.9 | 82% | 0.822 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -48.4 | -33.3 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | R59 | T55-R59 PolarHBondContact O-N 3.38Å |
| 56 | S | 75.4 | Confident | 70.6 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.2 | -48 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | S54 K58 R59 I60 | S54-S56 CarbonylContact O-C 3.55Å; S54-S56 PolarHBondContact O-N 3.47Å; S56-K58 VanDerWaalsContact C-N 3.33Å; S56-K58 PolarHBondContact O-N 2.96Å; S56-R59 WeakPolarHBondContact O-CB 2.92Å; S56-R59 PolarHBondContact O-N 3.2Å; S56-R59 VanDerWaalsContact O-N 3.14Å; S56-I60 WeakPolarHBondContact O-CG1 3.27Å; S56-I60 PolarHBondContact O-N 3.31Å |
| 57 | A | 78.2 | Confident | 71.9 | Confident | 24 Ų | 24 | 103 Ų | 103 | 20% | 0.198 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -63.8 | -36.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L53 S54 R59 I60 Q61 | L53-A57 HydrophobicContact CB-CB 4.02Å; L53-A57 HydrophobicContact CD2-CB 3.7Å; L53-A57 HydrophobicContact CG-CB 4.48Å; S54-A57 PolarHBondContact O-N 2.99Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.49Å; A57-I60 PolarHBondContact O-N 3.46Å; A57-Q61 WeakPolarHBondContact O-CG 3.43Å; A57-Q61 PolarHBondContact O-N 3.49Å |
| 58 | K | 77.1 | Confident | 72.9 | Confident | 143 Ų | 143 | 100.1 Ų | 100.1 | 62% | 0.622 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 174.8 | -119.8 | 174.4 | 177.2 | 171 | 0 | 112.4 | L53 S54 S56 K62 | L53-K58 HydrophobicContact CB-CG 4.38Å; L53-K58 HydrophobicContact CD1-CG 4.34Å; S54-K58 PolarHBondContact O-N 3.32Å; S56-K58 VanDerWaalsContact C-N 3.33Å; S56-K58 PolarHBondContact O-N 2.96Å; K58-K62 PolarHBondContact O-N 2.97Å |
| 59 | R | 85.8 | Confident | 74.1 | Confident | 153 Ų | 153 | 98.5 Ų | 98.5 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 176.3 | -174.1 | 177.9 | 174.7 | -69.8 | -14.3 | 111 | T55 S56 A57 Q61 K62 E63 | T55-R59 PolarHBondContact O-N 3.38Å; S56-R59 WeakPolarHBondContact O-CB 2.92Å; S56-R59 PolarHBondContact O-N 3.2Å; S56-R59 VanDerWaalsContact O-N 3.14Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.49Å; R59-Q61 PolarHBondContact O-N 3.03Å; R59-K62 PolarHBondContact O-N 3.36Å; R59-E63 IonicContact CZ-OE1 3.18Å; R59-E63 IonicContact CZ-OE2 3.35Å; R59-E63 IonicContact NH1-OE1 3.11Å; R59-E63 PolarHBondContact NH1-OE1 3.38Å; R59-E63 VanDerWaalsContact NH1-OE1 3.11Å; R59-E63 IonicContact NH1-OE2 2.66Å; R59-E63 PolarHBondContact NH1-OE2 3.11Å; R59-E63 IonicContact NH2-OE1 2.73Å; R59-E63 PolarHBondContact NH2-OE1 2.96Å; R59-E63 IonicContact NH2-OE2 3.74Å; R59-E63 PolarHBondContact O-N 2.85Å |
| 60 | I | 83.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 96.9 Ų | 96.9 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.1 | -68.8 | 162.7 | 0 | 0 | 0 | 111.3 | S56 A57 K62 E63 L64 | S56-I60 WeakPolarHBondContact O-CG1 3.27Å; S56-I60 PolarHBondContact O-N 3.31Å; A57-I60 PolarHBondContact O-N 3.46Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 3.21Å; I60-E63 PolarHBondContact O-N 3.14Å; I60-L64 HydrophobicContact CG2-CD1 3.71Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CB 3.34Å; I60-L64 WeakPolarHBondContact O-CG 3.31Å; I60-L64 PolarHBondContact O-N 2.94Å |
| 61 | Q | 80.1 | Confident | 75.8 | Confident | 31 Ų | 31 | 93.3 Ų | 93.3 | 15% | 0.145 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 176.3 | -75.2 | 175.1 | -7.8 | 0 | 0 | 112.8 | L53 A57 R59 L64 A65 L93 | L53-Q61 VanDerWaalsContact CD1-NE2 3.3Å; L53-Q61 VanDerWaalsContact CD1-OE1 3.31Å; A57-Q61 WeakPolarHBondContact O-CG 3.43Å; A57-Q61 PolarHBondContact O-N 3.49Å; R59-Q61 PolarHBondContact O-N 3.03Å; Q61-L64 PolarHBondContact O-N 3.39Å; Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 3.25Å; Q61-L93 HydrophobicContact CG-CD2 3.93Å; Q61-L93 HydrophobicContact CG-CG 3.96Å; Q61-L93 PolarHBondContact NE2-O 2.89Å |
| 62 | K | 82.6 | Confident | 76.6 | Confident | 146 Ų | 146 | 91.6 Ų | 91.6 | 64% | 0.635 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | 177.9 | -176 | -174.4 | 172.3 | -173.2 | 0 | 111.3 | K58 R59 I60 L64 A65 E66 | K58-K62 PolarHBondContact O-N 2.97Å; R59-K62 PolarHBondContact O-N 3.36Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 3.21Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.5Å; K62-A65 PolarHBondContact O-N 2.95Å; K62-E66 PolarHBondContact O-N 3.37Å |
| 63 | E | 84.3 | Confident | 77.1 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 178.3 | -73.2 | 178.4 | 125.9 | 0 | 0 | 111.7 | R59 I60 A65 E66 I67 | R59-E63 IonicContact CZ-OE1 3.18Å; R59-E63 IonicContact CZ-OE2 3.35Å; R59-E63 IonicContact NH1-OE1 3.11Å; R59-E63 PolarHBondContact NH1-OE1 3.38Å; R59-E63 VanDerWaalsContact NH1-OE1 3.11Å; R59-E63 IonicContact NH1-OE2 2.66Å; R59-E63 PolarHBondContact NH1-OE2 3.11Å; R59-E63 IonicContact NH2-OE1 2.73Å; R59-E63 PolarHBondContact NH2-OE1 2.96Å; R59-E63 IonicContact NH2-OE2 3.74Å; R59-E63 PolarHBondContact O-N 2.85Å; I60-E63 PolarHBondContact O-N 3.14Å; E63-A65 PolarHBondContact O-N 3.24Å; E63-E66 PolarHBondContact O-N 2.8Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.18Å; E63-I67 PolarHBondContact O-N 2.82Å |
| 64 | L | 81.6 | Confident | 77.7 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.2 | -71.6 | 172 | 0 | 0 | 0 | 112.4 | I60 Q61 K62 T68 L90 L93 | I60-L64 HydrophobicContact CG2-CD1 3.71Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CB 3.34Å; I60-L64 WeakPolarHBondContact O-CG 3.31Å; I60-L64 PolarHBondContact O-N 2.94Å; Q61-L64 PolarHBondContact O-N 3.39Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.5Å; L64-T68 WeakPolarHBondContact O-CB 3.44Å; L64-T68 PolarHBondContact O-N 3.34Å; L64-T68 PolarHBondContact O-OG1 3.07Å; L64-L90 HydrophobicContact CB-CD2 3.92Å; L64-L90 HydrophobicContact CD1-CD2 3.91Å; L64-L90 HydrophobicContact CG-CD2 4.42Å; L64-L93 HydrophobicContact CD1-CD2 4.08Å |
| 65 | A | 78.7 | Confident | 77.5 | Confident | 59 Ų | 59 | 90.2 Ų | 90.2 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q61 K62 E63 T68 L69 | Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 3.25Å; K62-A65 PolarHBondContact O-N 2.95Å; E63-A65 PolarHBondContact O-N 3.24Å; A65-T68 PolarHBondContact O-N 2.9Å; A65-L69 VanDerWaalsContact O-CB 3.26Å; A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 3.32Å |
| 66 | E | 80.3 | Confident | 76.5 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 179.2 | -163.4 | 170.8 | 133.1 | 0 | 0 | 111.9 | K62 E63 T68 L69 D70 | K62-E66 PolarHBondContact O-N 3.37Å; E63-E66 PolarHBondContact O-N 2.8Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 2.74Å; E66-L69 PolarHBondContact O-N 3.43Å; E66-D70 PolarHBondContact O-N 2.98Å |
| 67 | I | 77.6 | Confident | 75.7 | Confident | 100 Ų | 100 | 90.2 Ų | 90.2 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -34.3 | 175.6 | -63.8 | 163.9 | 0 | 0 | 0 | 111.5 | E63 D70 P71 | E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.18Å; E63-I67 PolarHBondContact O-N 2.82Å; I67-D70 CarbonylContact O-C 3.57Å; I67-P71 WeakPolarHBondContact O-CA 3.5Å; I67-P71 WeakPolarHBondContact O-CB 3.26Å |
| 68 | T | 76.1 | Confident | 74.6 | Confident | 54 Ų | 54 | 93.7 Ų | 93.7 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.3 | -33.3 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | L64 A65 E66 | L64-T68 WeakPolarHBondContact O-CB 3.44Å; L64-T68 PolarHBondContact O-N 3.34Å; L64-T68 PolarHBondContact O-OG1 3.07Å; A65-T68 PolarHBondContact O-N 2.9Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 2.74Å |
| 69 | L | 78 | Confident | 73.5 | Confident | 154 Ų | 154 | 88.8 Ų | 88.8 | 81% | 0.806 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.3 | -45 | 179.2 | -174.7 | 67.8 | 0 | 0 | 0 | 112.2 | A65 E66 | A65-L69 VanDerWaalsContact O-CB 3.26Å; A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 3.32Å; E66-L69 PolarHBondContact O-N 3.43Å |
| 70 | D | 73.9 | Confident | 72 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -128.5 | 81.6 | 173.1 | -167.8 | 23.2 | 0 | 0 | 0 | 111.1 | E66 I67 R76 | E66-D70 PolarHBondContact O-N 2.98Å; I67-D70 CarbonylContact O-C 3.57Å; D70-R76 IonicContact OD1-NH2 2.98Å; D70-R76 PolarHBondContact OD1-NH2 2.95Å |
| 71 | P | 71.2 | Confident | 70.7 | Confident | 15 Ų | 15 | 84.9 Ų | 84.9 | 10% | 0.097 | 49% | 0.491 | C | S | . | . | trans | -66.3 | 136 | 179.5 | 23.7 | -32.1 | 0 | 0 | 0 | 110.6 | I67 R76 I79 | I67-P71 WeakPolarHBondContact O-CA 3.5Å; I67-P71 WeakPolarHBondContact O-CB 3.26Å; P71-R76 HydrophobicContact CB-CG 4.42Å; P71-R76 HydrophobicContact CG-CG 4.14Å; P71-R76 PolarHBondContact O-NE 2.73Å; P71-I79 HydrophobicContact CB-CD1 3.16Å; P71-I79 HydrophobicContact CG-CD1 3.32Å | ||
| 72 | P | 77.1 | Confident | 69.6 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | trans | -54.3 | 144 | -179.6 | 15.6 | -25.8 | 0 | 0 | 0 | 110.3 | N74 C75 R76 | P72-N74 PolarHBondContact O-N 3.01Å; P72-C75 HydrophobicContact CG-CB 3.95Å; P72-C75 PolarHBondContact O-N 2.91Å; P72-R76 PolarHBondContact O-N 2.66Å | ||
| 73 | P | 68.9 | Low | 68.4 | Low | 103 Ų | 103 | 85.7 Ų | 85.7 | 67% | 0.669 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.9 | -168.7 | 20.2 | -32.4 | 0 | 0 | 0 | 113.1 | C75 | P73-C75 VanDerWaalsContact C-N 3.34Š|
| 74 | N | 71.3 | Confident | 67.1 | Low | 153 Ų | 153 | 90.4 Ų | 90.4 | 82% | 0.818 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.7 | 178 | -59.6 | -25.3 | 0 | 0 | 0 | 114 | P72 | P72-N74 PolarHBondContact O-N 3.01Š|
| 75 | C | 64.9 | Low | 66 | Low | 53 Ų | 53 | 97.4 Ų | 97.4 | 36% | 0.358 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -3.9 | -175.4 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | P72 P73 G77 V78 I79 | P72-C75 HydrophobicContact CG-CB 3.95Å; P72-C75 PolarHBondContact O-N 2.91Å; P73-C75 VanDerWaalsContact C-N 3.34Å; C75-G77 VanDerWaalsContact C-N 3.27Å; C75-G77 PolarHBondContact O-N 3.11Å; C75-V78 PolarHBondContact O-N 3.32Å; C75-I79 WeakPolarHBondContact O-CG1 3.23Å; C75-I79 PolarHBondContact O-N 3.31Å |
| 76 | R | 60.5 | Low | 65.3 | Low | 135 Ų | 135 | 98.2 Ų | 98.2 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.4 | -175 | -69.3 | -178.1 | 173.4 | -153.4 | -3.8 | 114.2 | D70 P71 P72 I79 | D70-R76 IonicContact OD1-NH2 2.98Å; D70-R76 PolarHBondContact OD1-NH2 2.95Å; P71-R76 HydrophobicContact CB-CG 4.42Å; P71-R76 HydrophobicContact CG-CG 4.14Å; P71-R76 PolarHBondContact O-NE 2.73Å; P72-R76 PolarHBondContact O-N 2.66Å; R76-I79 WeakPolarHBondContact O-CG1 3.48Å |
| 77 | G | 58.3 | Low | 64.5 | Low | 71 Ų | 71 | 97.3 Ų | 97.3 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -26.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C75 | C75-G77 VanDerWaalsContact C-N 3.27Å; C75-G77 PolarHBondContact O-N 3.11Å |
| 78 | V | 54.8 | Low | 64.1 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -38.2 | -173 | -158.6 | 0 | 0 | 0 | 0 | 111.1 | C75 S80 | C75-V78 PolarHBondContact O-N 3.32Å; V78-S80 PolarHBondContact O-N 3.45Å |
| 79 | I | 53.9 | Low | 63.8 | Low | 40 Ų | 40 | 98.7 Ų | 98.7 | 21% | 0.205 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -74.6 | -18.7 | -179.3 | 59.5 | -176.5 | 0 | 0 | 0 | 114.1 | P71 C75 R76 G81 E82 K83 | P71-I79 HydrophobicContact CB-CD1 3.16Å; P71-I79 HydrophobicContact CG-CD1 3.32Å; C75-I79 WeakPolarHBondContact O-CG1 3.23Å; C75-I79 PolarHBondContact O-N 3.31Å; R76-I79 WeakPolarHBondContact O-CG1 3.48Å; I79-G81 PolarHBondContact O-N 3.47Å; I79-E82 PolarHBondContact O-N 3.17Å; I79-K83 HydrophobicContact CB-CG 4.43Å; I79-K83 VanDerWaalsContact O-CB 3.23Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 VanDerWaalsContact O-CD 3.3Å; I79-K83 WeakPolarHBondContact O-CD 3.01Å; I79-K83 WeakPolarHBondContact O-CG 3.3Å; I79-K83 PolarHBondContact O-N 3.18Å |
| 80 | S | 54.9 | Low | 63.3 | Low | 86 Ų | 86 | 93.1 Ų | 93.1 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -27.3 | 179.5 | -78.6 | 0 | 0 | 0 | 0 | 112.9 | V78 | V78-S80 PolarHBondContact O-N 3.45Å |
| 81 | G | 56.8 | Low | 63.1 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -88.3 | -32.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I79 | I79-G81 PolarHBondContact O-N 3.47Å |
| 82 | E | 55.6 | Low | 63 | Low | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -87.1 | -16.4 | -177 | -64.3 | -144.1 | 129.1 | 0 | 0 | 114.6 | I79 E84 R85 L86 | I79-E82 PolarHBondContact O-N 3.17Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-R85 CarbonylContact O-C 3.6Å; E82-R85 PolarHBondContact O-N 2.81Å; E82-L86 PolarHBondContact O-N 3.22Å |
| 83 | K | 58.1 | Low | 62.6 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 36% | 0.357 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -52.4 | -42.8 | 174.2 | -86.7 | 162.7 | -172.2 | 175.2 | 0 | 110.8 | I79 R85 L86 Q87 | I79-K83 HydrophobicContact CB-CG 4.43Å; I79-K83 VanDerWaalsContact O-CB 3.23Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 VanDerWaalsContact O-CD 3.3Å; I79-K83 WeakPolarHBondContact O-CD 3.01Å; I79-K83 WeakPolarHBondContact O-CG 3.3Å; I79-K83 PolarHBondContact O-N 3.18Å; K83-R85 PolarHBondContact O-N 2.89Å; K83-L86 PolarHBondContact O-N 3Å; K83-Q87 VanDerWaalsContact O-CB 3.27Å; K83-Q87 WeakPolarHBondContact O-CB 3.14Å; K83-Q87 WeakPolarHBondContact O-CG 3.38Å; K83-Q87 PolarHBondContact O-N 3.17Å |
| 84 | E | 57.4 | Low | 62.6 | Low | 175 Ų | 175 | 101.8 Ų | 101.8 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -26.7 | 179.8 | -152.8 | -179.3 | 106.4 | 0 | 0 | 113.2 | E82 P88 | E82-E84 PolarHBondContact O-N 3.46Å; E84-P88 WeakPolarHBondContact O-CD 3.28Å |
| 85 | R | 58.5 | Low | 62.1 | Low | 203 Ų | 203 | 99.2 Ų | 99.2 | 77% | 0.766 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -90.8 | -29.7 | 176.4 | -75.2 | -147.5 | 169.9 | -172.8 | -0.3 | 114.5 | E82 K83 P88 I89 | E82-R85 CarbonylContact O-C 3.6Å; E82-R85 PolarHBondContact O-N 2.81Å; K83-R85 PolarHBondContact O-N 2.89Å; R85-P88 WeakPolarHBondContact O-CD 3.34Å; R85-P88 WeakPolarHBondContact O-CG 3.4Å; R85-I89 WeakPolarHBondContact O-CD1 3.46Å |
| 86 | L | 63 | Low | 62 | Low | 76 Ų | 76 | 101.6 Ų | 101.6 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -82.9 | -30.1 | 178.4 | -120.7 | 72.3 | 0 | 0 | 0 | 112.4 | E82 K83 I89 L90 | E82-L86 PolarHBondContact O-N 3.22Å; K83-L86 PolarHBondContact O-N 3Å; L86-I89 WeakPolarHBondContact O-CA 3.44Å; L86-I89 WeakPolarHBondContact O-CB 3.45Å; L86-I89 PolarHBondContact O-N 3.11Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.86Å |
| 87 | Q | 63.6 | Low | 62.1 | Low | 108 Ų | 108 | 99.8 Ų | 99.8 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -54.5 | -47.5 | 177.1 | -73 | -76.2 | 29 | 0 | 0 | 113.9 | K83 I89 L90 A91 | K83-Q87 VanDerWaalsContact O-CB 3.27Å; K83-Q87 WeakPolarHBondContact O-CB 3.14Å; K83-Q87 WeakPolarHBondContact O-CG 3.38Å; K83-Q87 PolarHBondContact O-N 3.17Å; Q87-I89 VanDerWaalsContact C-N 3.26Å; Q87-I89 PolarHBondContact O-N 3.23Å; Q87-L90 PolarHBondContact O-N 3.09Å; Q87-A91 VanDerWaalsContact O-CB 3.23Å; Q87-A91 WeakPolarHBondContact O-CB 3.36Å; Q87-A91 PolarHBondContact O-N 3.31Å |
| 88 | P | 69.9 | Low | 62.3 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -29.1 | 175.8 | 24.7 | -34.1 | 0 | 0 | 0 | 112.7 | E84 R85 L92 | E84-P88 WeakPolarHBondContact O-CD 3.28Å; R85-P88 WeakPolarHBondContact O-CD 3.34Å; R85-P88 WeakPolarHBondContact O-CG 3.4Å; P88-L92 VanDerWaalsContact O-CB 3.31Å; P88-L92 WeakPolarHBondContact O-CB 3.21Å; P88-L92 PolarHBondContact O-N 3.1Å |
| 89 | I | 69.4 | Low | 62.8 | Low | 106 Ų | 106 | 101.8 Ų | 101.8 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.9 | -42.3 | 178.5 | -61.2 | 172 | 0 | 0 | 0 | 110.5 | R85 L86 Q87 L92 L93 | R85-I89 WeakPolarHBondContact O-CD1 3.46Å; L86-I89 WeakPolarHBondContact O-CA 3.44Å; L86-I89 WeakPolarHBondContact O-CB 3.45Å; L86-I89 PolarHBondContact O-N 3.11Å; Q87-I89 VanDerWaalsContact C-N 3.26Å; Q87-I89 PolarHBondContact O-N 3.23Å; I89-L92 PolarHBondContact O-N 3.28Å; I89-L93 PolarHBondContact O-N 3.25Å; I89-L93 VanDerWaalsContact O-N 3.15Å |
| 90 | L | 68 | Low | 63.4 | Low | 37 Ų | 37 | 105.9 Ų | 105.9 | 19% | 0.194 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -66.8 | -41 | 174.6 | -69.7 | 172.5 | 0 | 0 | 0 | 111.6 | L64 L86 Q87 L92 L93 L94 | L64-L90 HydrophobicContact CB-CD2 3.92Å; L64-L90 HydrophobicContact CD1-CD2 3.91Å; L64-L90 HydrophobicContact CG-CD2 4.42Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.86Å; Q87-L90 PolarHBondContact O-N 3.09Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.3Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-L93 VanDerWaalsContact O-N 3.13Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.13Å |
| 91 | A | 68.8 | Low | 64 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67 | -25.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q87 | Q87-A91 VanDerWaalsContact O-CB 3.23Å; Q87-A91 WeakPolarHBondContact O-CB 3.36Å; Q87-A91 PolarHBondContact O-N 3.31Å |
| 92 | L | 69.2 | Low | 64.5 | Low | 132 Ų | 132 | 110.9 Ų | 110.9 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -80 | -22.8 | 173.1 | -172.9 | 63.4 | 0 | 0 | 0 | 112.3 | P88 I89 L90 | P88-L92 VanDerWaalsContact O-CB 3.31Å; P88-L92 WeakPolarHBondContact O-CB 3.21Å; P88-L92 PolarHBondContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 3.28Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.3Å |
| 93 | L | 69.4 | Low | 65.3 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 40% | 0.398 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -85.9 | -25.7 | -179.4 | -168.2 | 61.8 | 0 | 0 | 0 | 112.3 | Q61 L64 I89 L90 | Q61-L93 HydrophobicContact CG-CD2 3.93Å; Q61-L93 HydrophobicContact CG-CG 3.96Å; Q61-L93 PolarHBondContact NE2-O 2.89Å; L64-L93 HydrophobicContact CD1-CD2 4.08Å; I89-L93 PolarHBondContact O-N 3.25Å; I89-L93 VanDerWaalsContact O-N 3.15Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-L93 VanDerWaalsContact O-N 3.13Å |
| 94 | L | 67.9 | Low | 65.9 | Low | 187 Ų | 187 | 113.5 Ų | 113.5 | 98% | 0.979 | 58% | 0.58 | S | S | * | * | trans | -88.3 | 0 | 177.7 | -151.9 | 79 | 0 | 0 | 0 | 112 | L90 | L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.13Å |
Retrieved 94 of 94 residues in 178.2 ms
(Link to these results)