| 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 | 38.5 | Very low | 40.7 | Very low | 225 Ų | 225 | 175 Ų | 175 | 100% | 1.108 | 87% | 0.868 | S | S | * | * | 0 | 155.3 | 0 | -81.5 | 170.1 | 159.8 | 0 | 0 | 108.7 | |||||
| 2 | M | 42.8 | Very low | 41.1 | Very low | 163 Ų | 163 | 173.2 Ų | 173.2 | 80% | 0.803 | 86% | 0.861 | S | S | * | * | trans | 65.2 | 99.4 | 174.2 | -59.4 | 123.7 | -176.9 | 0 | 0 | 115.5 | ||||
| 3 | L | 41.6 | Very low | 41.2 | Very low | 151 Ų | 151 | 172.9 Ų | 172.9 | 79% | 0.791 | 86% | 0.856 | S | S | * | * | 73.9 | 94.6 | 78.7 | -68.3 | 163.2 | 0 | 0 | 0 | 112.3 | |||||
| 4 | R | 37.2 | Very low | 41.6 | Very low | 242 Ų | 242 | 174.4 Ų | 174.4 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | 67.3 | 116.9 | 90 | -77.7 | -170.9 | 179.4 | -177.7 | 0.7 | 114.5 | |||||
| 5 | G | 39.3 | Very low | 41.6 | Very low | 80 Ų | 80 | 171.9 Ų | 171.9 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 175.4 | 71.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | N | 38.4 | Very low | 41.9 | Very low | 161 Ų | 161 | 168.6 Ų | 168.6 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -73.1 | 128.8 | 177.8 | -85.4 | -54.7 | 0 | 0 | 0 | 112.2 | K8 | N6-K8 PolarHBondContact O-N 3.16Å; N6-K8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | L | 42.3 | Very low | 41.8 | Very low | 179 Ų | 179 | 163.4 Ų | 163.4 | 94% | 0.937 | 83% | 0.831 | S | S | * | * | trans | -73.8 | 98.2 | 170.2 | -172.2 | 71 | 0 | 0 | 0 | 109.8 | ||||
| 8 | K | 45 | Very low | 41.9 | Very low | 187 Ų | 187 | 167.7 Ų | 167.7 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -97.5 | 111.4 | 171.9 | -84.4 | -168.1 | 173 | -173.3 | 0 | 111.3 | N6 V10 | N6-K8 PolarHBondContact O-N 3.16Å; N6-K8 VanDerWaalsContact O-N 3.16Å; K8-V10 PolarHBondContact O-N 3.31Å | ||
| 9 | Q | 40.7 | Very low | 42 | Very low | 190 Ų | 190 | 167.5 Ų | 167.5 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -60 | 116.3 | 169.4 | -173.8 | 174.5 | 6 | 0 | 0 | 110.1 | R11 | Q9-R11 PolarHBondContact O-N 3.16Š| ||
| 10 | V | 40.3 | Very low | 42.1 | Very low | 130 Ų | 130 | 171.7 Ų | 171.7 | 79% | 0.788 | 84% | 0.842 | S | S | * | * | trans | -76.3 | 113.4 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | K8 | K8-V10 PolarHBondContact O-N 3.31Š| ||
| 11 | R | 41.3 | Very low | 42.1 | Very low | 217 Ų | 217 | 167.9 Ų | 167.9 | 82% | 0.819 | 84% | 0.838 | S | S | * | * | trans | -86.6 | 116.6 | 179.5 | -159.9 | 175.9 | -169.7 | 137.6 | -1.8 | 108.5 | Q9 E13 | Q9-R11 PolarHBondContact O-N 3.16Å; R11-E13 PolarHBondContact O-N 3.17Å; R11-E13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | I | 45.9 | Very low | 42.2 | Very low | 153 Ų | 153 | 165.7 Ų | 165.7 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -80.9 | 94.7 | 178 | -60.5 | 165.3 | 0 | 0 | 0 | 108.4 | K14 | I12-K14 PolarHBondContact O-N 3.36Š| ||
| 13 | E | 42.8 | Very low | 41.9 | Very low | 170 Ų | 170 | 166.8 Ų | 166.8 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 103.1 | 170.5 | -74.9 | -179 | 90.8 | 0 | 0 | 110.1 | R11 N15 | R11-E13 PolarHBondContact O-N 3.17Å; R11-E13 VanDerWaalsContact O-N 3.16Å; E13-N15 PolarHBondContact O-N 3.22Å | ||
| 14 | K | 46.7 | Very low | 41.6 | Very low | 194 Ų | 194 | 165.5 Ų | 165.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | -69 | 116.4 | 162.6 | -73.8 | -179.1 | 174.1 | -178.3 | 0 | 108.1 | I12 P16 | I12-K14 PolarHBondContact O-N 3.36Å; K14-P16 VanDerWaalsContact O-CD 3.29Å; K14-P16 WeakPolarHBondContact O-CD 3.29Å | ||
| 15 | N | 41.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 158.8 Ų | 158.8 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | -103.8 | 101.6 | 174.4 | -175.7 | -2.3 | 0 | 0 | 0 | 110.6 | E13 A17 | E13-N15 PolarHBondContact O-N 3.22Å; N15-A17 VanDerWaalsContact C-N 3.3Å; N15-A17 PolarHBondContact O-N 3.38Å; N15-A17 WeakPolarHBondContact OD1-CB 3.15Å; N15-A17 PolarHBondContact OD1-N 3.32Å | ||
| 16 | P | 46 | Very low | 41.6 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -87.9 | 21 | -178.1 | 36.6 | -36.9 | 0 | 0 | 0 | 114.1 | K14 R18 | K14-P16 VanDerWaalsContact O-CD 3.29Å; K14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-R18 VanDerWaalsContact C-N 3.35Å; P16-R18 PolarHBondContact O-N 3.31Å | ||
| 17 | A | 41.1 | Very low | 41.3 | Very low | 80 Ų | 80 | 156.7 Ų | 156.7 | 66% | 0.661 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 31.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N15 | N15-A17 VanDerWaalsContact C-N 3.3Å; N15-A17 PolarHBondContact O-N 3.38Å; N15-A17 WeakPolarHBondContact OD1-CB 3.15Å; N15-A17 PolarHBondContact OD1-N 3.32Å |
| 18 | R | 43.3 | Very low | 41 | Very low | 241 Ų | 241 | 157.7 Ų | 157.7 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 3.6 | 175.1 | -111.8 | -172.7 | 177 | -174.8 | -2.1 | 117.6 | P16 | P16-R18 VanDerWaalsContact C-N 3.35Å; P16-R18 PolarHBondContact O-N 3.31Å |
| 19 | L | 42.8 | Very low | 40.5 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -114 | 77.3 | 166.8 | -90.9 | 75.1 | 0 | 0 | 0 | 110.1 | ||
| 20 | R | 44.4 | Very low | 40.5 | Very low | 250 Ų | 250 | 153.6 Ų | 153.6 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -176.8 | 64.6 | 161.1 | -110.2 | 178.8 | -174.4 | -159.6 | 1.3 | 111.8 | ||||
| 21 | A | 42.5 | Very low | 41 | Very low | 92 Ų | 92 | 152.8 Ų | 152.8 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -162.8 | 79.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 22 | L | 40.1 | Very low | 40.8 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 172.1 | 50.8 | 155 | -95.1 | 158.7 | 0 | 0 | 0 | 111.4 | ||
| 23 | E | 38 | Very low | 40.3 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -142.2 | 148.6 | 163.2 | -88.5 | -175.4 | 109.6 | 0 | 0 | 109.6 | ||||
| 24 | S | 33.5 | Very low | 39.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | 79 | 131.4 | 179 | 71.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 25 | A | 36.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | 87.1 | 117.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 26 | V | 40.2 | Very low | 38.5 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | cis | -153.9 | 154.8 | 4.9 | -175 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 27 | G | 33.2 | Very low | 37.9 | Very low | 54 Ų | 54 | 139.8 Ų | 139.8 | 56% | 0.557 | 84% | 0.84 | S | S | * | * | cis | 139.3 | 107.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | E | 34.9 | Very low | 37.5 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 85% | 0.849 | S | S | * | * | trans | 65.4 | 150.5 | 168.6 | -62.2 | 171.8 | 102.7 | 0 | 0 | 116.7 | ||||
| 29 | S | 35.5 | Very low | 36.9 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 85% | 0.845 | S | S | * | * | cis | -155.6 | 159.9 | 2.3 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 30 | E | 39.4 | Very low | 36.6 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -69.7 | -173.8 | 164.5 | -87.6 | -171.2 | 99.1 | 0 | 0 | 113.7 | ||||
| 31 | P | 51.3 | Low | 36 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | cis | -131.1 | 173.4 | -15.7 | 25.2 | -3.3 | 0 | 0 | 0 | 114.6 | ||||
| 32 | A | 36.1 | Very low | 35.7 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 90% | 0.901 | 85% | 0.847 | S | S | * | * | trans | -157.7 | 111.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 33 | A | 36 | Very low | 35.4 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -127.6 | 120.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | A | 30.8 | Very low | 35.2 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -154.8 | 114.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 35 | A | 30.2 | Very low | 35.6 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | trans | 45.4 | 121.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 36 | A | 32.9 | Very low | 36 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | -155.1 | 130.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 37 | M | 31.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 124.4 Ų | 124.4 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -109.5 | 137.7 | 166.8 | -76.7 | 173.8 | 73.4 | 0 | 0 | 109.4 | ||||
| 38 | A | 33.4 | Very low | 37.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -163.5 | 145.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 39 | L | 30 | Very low | 38.1 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | trans | -79.2 | 152 | -178.1 | -80.2 | 59 | 0 | 0 | 0 | 113.6 | ||||
| 40 | A | 36.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -159 | 150.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | L | 32.7 | Very low | 38.8 | Very low | 169 Ų | 169 | 118.8 Ų | 118.8 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -107.3 | 147.3 | -176 | -73.3 | 131.7 | 0 | 0 | 0 | 112.4 | ||||
| 42 | A | 35.8 | Very low | 38.9 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | trans | 143.2 | 132.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 43 | G | 33 | Very low | 39.4 | Very low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 128.5 | 104.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 44 | E | 35.5 | Very low | 39.5 | Very low | 194 Ų | 194 | 122.1 Ų | 122.1 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -74.1 | 168.1 | 160 | -85 | 172.5 | 76.4 | 0 | 0 | 111.5 | ||||
| 45 | P | 40.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | cis | -127.6 | -171 | 10.8 | 38 | -19.1 | 0 | 0 | 0 | 115 | ||||
| 46 | A | 44.8 | Very low | 40.6 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 47 | P | 51.5 | Low | 40.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 145.2 | 169.5 | 32.4 | -34 | 0 | 0 | 0 | 111.8 | ||
| 48 | P | 47.7 | Very low | 41.2 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 159.9 | 163.1 | 31.1 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 49 | A | 53.4 | Low | 41.6 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 146 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A51 | A49-A51 PolarHBondContact O-N 3.4Š|
| 50 | P | 44.9 | Very low | 42.1 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.3 | 175.8 | 27.4 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 51 | A | 46.3 | Very low | 42.1 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 154.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A49 | A49-A51 PolarHBondContact O-N 3.4Š|
| 52 | P | 51.5 | Low | 42.2 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 152.9 | 175.7 | 26.8 | -35.2 | 0 | 0 | 0 | 111.2 | E54 | P52-E54 PolarHBondContact O-N 3.03Š|
| 53 | P | 46.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.3 | -177.1 | 25.7 | -34.2 | 0 | 0 | 0 | 111.1 | D55 | P53-D55 PolarHBondContact O-N 2.83Š|
| 54 | E | 39.1 | Very low | 42.6 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -76.4 | 102.8 | 165.2 | -65.4 | -178.4 | 157.3 | 0 | 0 | 107.2 | P52 H56 | P52-E54 PolarHBondContact O-N 3.03Å; E54-H56 PolarHBondContact O-N 3.47Å; E54-H56 VanDerWaalsContact O-N 3.16Å | ||
| 55 | D | 39.2 | Very low | 43.4 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -62.5 | 114.5 | 168.7 | -77.1 | -47.8 | 0 | 0 | 0 | 108.5 | P53 P57 | P53-D55 PolarHBondContact O-N 2.83Å; D55-P57 WeakPolarHBondContact O-CD 3.5Å | ||
| 56 | H | 44.2 | Very low | 43.8 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -86.1 | 104.2 | 160.3 | -70.8 | -65.8 | 0 | 0 | 0 | 107.9 | E54 D58 | E54-H56 PolarHBondContact O-N 3.47Å; E54-H56 VanDerWaalsContact O-N 3.16Å; H56-D58 PolarHBondContact O-N 3.4Å | ||
| 57 | P | 40.3 | Very low | 44.3 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | trans | -76.6 | 115 | 164.5 | 32.8 | -33.2 | 0 | 0 | 0 | 108.2 | D55 E59 | D55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-E59 HydrophobicContact CB-CG 3.72Å; P57-E59 HydrophobicContact CG-CG 3.9Å; P57-E59 PolarHBondContact O-N 2.62Å | ||
| 58 | D | 38.2 | Very low | 44.3 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -66.5 | 81.8 | 156.5 | -77.6 | -52.1 | 0 | 0 | 0 | 107.5 | H56 E60 | H56-D58 PolarHBondContact O-N 3.4Å; D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.02Å | ||
| 59 | E | 40.5 | Very low | 44.4 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -71.8 | 86.4 | 179.9 | -65.9 | -170.6 | 164.5 | 0 | 0 | 110.3 | P57 M61 | P57-E59 HydrophobicContact CB-CG 3.72Å; P57-E59 HydrophobicContact CG-CG 3.9Å; P57-E59 PolarHBondContact O-N 2.62Å; E59-M61 PolarHBondContact O-N 3.01Å; E59-M61 VanDerWaalsContact O-N 3.17Å | ||
| 60 | E | 41 | Very low | 44.3 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -51.1 | 121.6 | 153.9 | -68.3 | -165.1 | 141.8 | 0 | 0 | 108 | D58 G62 | D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.02Å; E60-G62 PolarHBondContact O-N 3.29Å | ||
| 61 | M | 37.2 | Very low | 44.7 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 94% | 0.941 | 68% | 0.675 | S | S | * | * | trans | -71.4 | 56.8 | -174.2 | -73.5 | -179 | -81.8 | 0 | 0 | 113.5 | E59 F63 | E59-M61 PolarHBondContact O-N 3.01Å; E59-M61 VanDerWaalsContact O-N 3.17Å; M61-F63 PolarHBondContact O-N 3.41Å | ||
| 62 | G | 34.6 | Very low | 45.1 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | trans | -73.6 | 101.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | E60 T64 | E60-G62 PolarHBondContact O-N 3.29Å; G62-T64 PolarHBondContact O-N 3.17Å | ||
| 63 | F | 37.9 | Very low | 45 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 82% | 0.82 | 68% | 0.682 | S | S | * | * | trans | -72.7 | 66.7 | 177.2 | -145.1 | -88.5 | 0 | 0 | 0 | 110.2 | M61 I65 | M61-F63 PolarHBondContact O-N 3.41Å; F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 HydrophobicContact CD1-CG1 3.89Å; F63-I65 HydrophobicContact CE1-CG1 4.32Å; F63-I65 PolarHBondContact O-N 3.06Å | ||
| 64 | T | 40.3 | Very low | 45.4 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | trans | -70.6 | 91.5 | 173.7 | 52.3 | 0 | 0 | 0 | 0 | 108.2 | G62 D66 | G62-T64 PolarHBondContact O-N 3.17Å; T64-D66 PolarHBondContact O-N 3.14Å | ||
| 65 | I | 50.9 | Low | 46.5 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 38% | 0.379 | 66% | 0.656 | S | S | . | * | trans | -60.8 | 111.5 | 173.8 | -53.5 | 174.5 | 0 | 0 | 0 | 107 | F63 I67 | F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 HydrophobicContact CD1-CG1 3.89Å; F63-I65 HydrophobicContact CE1-CG1 4.32Å; F63-I65 PolarHBondContact O-N 3.06Å; I65-I67 HydrophobicContact CB-CD1 4.49Å; I65-I67 HydrophobicContact CB-CG1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I65-I67 WeakPolarHBondContact O-CD1 3.44Å; I65-I67 VanDerWaalsContact O-CG1 3.27Å; I65-I67 WeakPolarHBondContact O-CG1 3.38Å; I65-I67 PolarHBondContact O-N 2.77Å | ||
| 66 | D | 49.5 | Very low | 47.8 | Very low | 110 Ų | 110 | 119 Ų | 119 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | trans | -74 | 74.8 | 175.1 | -110.6 | -52.2 | 0 | 0 | 0 | 110.3 | T64 K68 S69 | T64-D66 PolarHBondContact O-N 3.14Å; D66-K68 PolarHBondContact O-N 2.67Å; D66-S69 PolarHBondContact O-N 2.83Å | ||
| 67 | I | 56.2 | Low | 49.3 | Very low | 37 Ų | 37 | 114 Ų | 114 | 19% | 0.19 | 62% | 0.615 | C | S | . | * | G | 310 helix | trans | -56.2 | -25 | -172.7 | -64 | 130.4 | 0 | 0 | 0 | 112.4 | I65 S69 F70 L71 L129 | I65-I67 HydrophobicContact CB-CD1 4.49Å; I65-I67 HydrophobicContact CB-CG1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I65-I67 WeakPolarHBondContact O-CD1 3.44Å; I65-I67 VanDerWaalsContact O-CG1 3.27Å; I65-I67 WeakPolarHBondContact O-CG1 3.38Å; I65-I67 PolarHBondContact O-N 2.77Å; I67-S69 PolarHBondContact O-N 3.14Å; I67-S69 VanDerWaalsContact O-N 3.13Å; I67-F70 PolarHBondContact O-N 3.23Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-L129 HydrophobicContact CD1-CD1 3.85Å; I67-L129 HydrophobicContact CD1-CD2 3.95Å; I67-L129 HydrophobicContact CD1-CG 4.37Å; I67-L129 HydrophobicContact CG1-CD1 4.09Å; I67-L129 HydrophobicContact CG1-CD2 3.92Å; I67-L129 HydrophobicContact CG1-CG 4.24Å; I67-L129 HydrophobicContact CG2-CD1 4.15Å |
| 68 | K | 51.6 | Low | 51.1 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -58.2 | -26.3 | -179.8 | -68.4 | 173.2 | -175.2 | 162.8 | 0 | 113.3 | D66 | D66-K68 PolarHBondContact O-N 2.67Š|
| 69 | S | 48.8 | Very low | 53.3 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 70% | 0.699 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -81.5 | -13 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | D66 I67 | D66-S69 PolarHBondContact O-N 2.83Å; I67-S69 PolarHBondContact O-N 3.14Å; I67-S69 VanDerWaalsContact O-N 3.13Å |
| 70 | F | 51.7 | Low | 55.2 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -5.2 | -177 | -68.8 | -81.9 | 0 | 0 | 0 | 114.3 | I67 K72 | I67-F70 PolarHBondContact O-N 3.23Å; F70-K72 PolarHBondContact O-N 3.35Å |
| 71 | L | 53 | Low | 56.9 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 27% | 0.267 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -63.1 | 115.7 | 168 | -78.8 | 161.9 | 0 | 0 | 0 | 109.3 | I67 T77 | I67-L71 PolarHBondContact O-N 3.48Å; L71-T77 HydrophobicContact CD1-CG2 4.31Å; L71-T77 HydrophobicContact CD2-CG2 4.12Å |
| 72 | K | 55.6 | Low | 59.1 | Low | 147 Ų | 147 | 84.8 Ų | 84.8 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | trans | -58.5 | 137.2 | 172 | -69.6 | 177.2 | -178.7 | 170.9 | 0 | 108.7 | F70 G74 E75 | F70-K72 PolarHBondContact O-N 3.35Å; K72-G74 PolarHBondContact O-N 3.19Å; K72-E75 HydrophobicContact CB-CB 4.19Å; K72-E75 WeakPolarHBondContact O-CB 3.32Å; K72-E75 PolarHBondContact O-N 3.02Å | ||
| 73 | P | 47.9 | Very low | 61.6 | Low | 140 Ų | 140 | 84 Ų | 84 | 91% | 0.909 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 115.2 | 179.5 | 22.3 | -32.3 | 0 | 0 | 0 | 110 | ||
| 74 | G | 54.7 | Low | 64.1 | Low | 76 Ų | 76 | 75 Ų | 75 | 78% | 0.784 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -2.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K72 K76 | K72-G74 PolarHBondContact O-N 3.19Å; G74-K76 PolarHBondContact O-N 3.41Å |
| 75 | E | 62.2 | Low | 66.4 | Low | 46 Ų | 46 | 72.2 Ų | 72.2 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | trans | -77.3 | 112.8 | 174.1 | -165.7 | 129.8 | -134.8 | 0 | 0 | 110.2 | K72 K184 | K72-E75 HydrophobicContact CB-CB 4.19Å; K72-E75 WeakPolarHBondContact O-CB 3.32Å; K72-E75 PolarHBondContact O-N 3.02Å; E75-K184 IonicContact OE1-NZ 2.71Å; E75-K184 PolarHBondContact OE1-NZ 3.46Å | ||
| 76 | K | 67.6 | Low | 68.3 | Low | 76 Ų | 76 | 68.7 Ų | 68.7 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | trans | -70.7 | 138 | -179.4 | -62.2 | 179.5 | -168.7 | 156.7 | 0 | 110 | G74 T79 E173 V182 E183 | G74-K76 PolarHBondContact O-N 3.41Å; K76-T79 HydrophobicContact CB-CG2 3.78Å; K76-T79 VanDerWaalsContact O-CG2 3.27Å; K76-T79 WeakPolarHBondContact O-CG2 3.37Å; K76-E173 IonicContact NZ-OE1 3.72Å; K76-E173 PolarHBondContact NZ-OE1 2.92Å; K76-E173 IonicContact NZ-OE2 3.53Å; K76-V182 PolarHBondContact NZ-O 3.4Å; K76-E183 WeakPolarHBondContact CD-O 3.46Å; K76-E183 PolarHBondContact NZ-O 3.37Å | ||
| 77 | T | 76.6 | Confident | 70.1 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 157.4 | 174 | 52.9 | 0 | 0 | 0 | 0 | 111 | L71 T79 E125 | L71-T77 HydrophobicContact CD1-CG2 4.31Å; L71-T77 HydrophobicContact CD2-CG2 4.12Å; T77-T79 VanDerWaalsContact C-N 3.26Å; T77-T79 PolarHBondContact O-N 2.79Å; T77-E125 CarbonylContact C-O 3.51Å; T77-E125 WeakPolarHBondContact CA-O 3.35Å; T77-E125 WeakPolarHBondContact CB-O 3.37Å; T77-E125 HydrophobicContact CG2-CG 3.61Å |
| 78 | Y | 78.1 | Confident | 71.6 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37 | 177.6 | -55.6 | -71.8 | 0 | 0 | 0 | 114.1 | R123 L124 E125 | Y78-R123 WeakPolarHBondContact O-CD 3.45Å; Y78-R123 PolarHBondContact O-NH1 2.87Å; Y78-L124 WeakPolarHBondContact CD1-O 3.5Å; Y78-E125 HydrophobicContact CD1-CB 4.34Å; Y78-E125 HydrophobicContact CD2-CG 4.44Å; Y78-E125 HydrophobicContact CE1-CB 3.71Å; Y78-E125 HydrophobicContact CE1-CG 4.29Å; Y78-E125 HydrophobicContact CE2-CB 4.19Å; Y78-E125 HydrophobicContact CE2-CG 3.83Å; Y78-E125 PolarHBondContact N-O 2.87Å |
| 79 | T | 82.4 | Confident | 73.3 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | trans | -75.8 | 162.7 | 173.6 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | K76 T77 R81 C82 E183 | K76-T79 HydrophobicContact CB-CG2 3.78Å; K76-T79 VanDerWaalsContact O-CG2 3.27Å; K76-T79 WeakPolarHBondContact O-CG2 3.37Å; T77-T79 VanDerWaalsContact C-N 3.26Å; T77-T79 PolarHBondContact O-N 2.79Å; T79-R81 PolarHBondContact O-N 2.99Å; T79-R81 VanDerWaalsContact O-N 3.15Å; T79-C82 WeakPolarHBondContact O-CB 3.3Å; T79-C82 PolarHBondContact O-N 3.42Å; T79-C82 PolarHBondContact OG1-SG 2.88Å; T79-E183 WeakPolarHBondContact CA-OE1 3.37Å; T79-E183 WeakPolarHBondContact CA-OE2 3.2Å; T79-E183 VanDerWaalsContact CB-OE2 3.25Å; T79-E183 WeakPolarHBondContact CB-OE2 3.27Å; T79-E183 HydrophobicContact CG2-CB 3.82Å; T79-E183 HydrophobicContact CG2-CG 3.89Å | ||
| 80 | Q | 81 | Confident | 75 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.6 | -21.7 | 170.4 | -65.3 | -72.2 | -10.9 | 0 | 0 | 112.2 | C82 R83 R123 H154 E183 A204 | Q80-C82 VanDerWaalsContact C-N 3.31Å; Q80-R83 WeakPolarHBondContact O-CB 3.49Å; Q80-R83 PolarHBondContact O-N 3.34Å; Q80-R123 VanDerWaalsContact NE2-NH2 3.15Å; Q80-H154 WeakPolarHBondContact CB-CD2 3.42Å; Q80-E183 WeakPolarHBondContact CB-OE2 3.12Å; Q80-E183 PolarHBondContact N-OE1 3.09Å; Q80-E183 PolarHBondContact N-OE2 3.25Å; Q80-A204 PolarHBondContact NE2-O 3.13Å |
| 81 | R | 77.7 | Confident | 76.4 | Confident | 64 Ų | 64 | 49 Ų | 49 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -70.9 | -24.5 | 172.1 | -54.4 | -176.1 | 71.7 | 123.2 | 10.1 | 113.4 | T79 R83 E202 | T79-R81 PolarHBondContact O-N 2.99Å; T79-R81 VanDerWaalsContact O-N 3.15Å; R81-R83 VanDerWaalsContact C-N 3.26Å; R81-E202 WeakPolarHBondContact CD-OE1 3.43Å; R81-E202 WeakPolarHBondContact CD-OE2 3.44Å; R81-E202 IonicContact CZ-OE1 2.93Å; R81-E202 IonicContact CZ-OE2 3.67Å; R81-E202 IonicContact NE-OE1 2.72Å; R81-E202 IonicContact NE-OE2 2.69Å; R81-E202 IonicContact NH1-OE1 2.6Å; R81-E202 PolarHBondContact NH1-OE1 3Å; R81-E202 IonicContact NH1-OE2 3.41Å; R81-E202 PolarHBondContact NH1-OE2 3.43Å |
| 82 | C | 83.6 | Confident | 77.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -88.2 | 6.4 | 173.5 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | T79 Q80 L124 R127 | T79-C82 WeakPolarHBondContact O-CB 3.3Å; T79-C82 PolarHBondContact O-N 3.42Å; T79-C82 PolarHBondContact OG1-SG 2.88Å; Q80-C82 VanDerWaalsContact C-N 3.31Å; C82-L124 WeakPolarHBondContact CB-O 3.46Å; C82-L124 PolarHBondContact O-N 3.36Å; C82-R127 PolarHBondContact SG-N 2.81Å |
| 83 | R | 87.3 | Confident | 79.2 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119 | -179.3 | -164.9 | 174.6 | -177 | -97.7 | -0.7 | 109.7 | Q80 R81 E110 F121 I122 R123 A152 | Q80-R83 WeakPolarHBondContact O-CB 3.49Å; Q80-R83 PolarHBondContact O-N 3.34Å; R81-R83 VanDerWaalsContact C-N 3.26Å; R83-E110 IonicContact NH2-OE1 2.67Å; R83-F121 VanDerWaalsContact NH2-CG 3.27Å; R83-I122 CarbonylContact C-O 3.5Å; R83-I122 VanDerWaalsContact CA-O 3.27Å; R83-I122 WeakPolarHBondContact CA-O 3.17Å; R83-R123 HydrophobicContact CG-CB 4.49Å; R83-A152 HydrophobicContact CB-CB 4.02Å; R83-A152 HydrophobicContact CG-CB 3.84Å; R83-A152 VanDerWaalsContact O-CB 3.29Å; R83-A152 WeakPolarHBondContact O-CB 3.44Å; R83-A152 PolarHBondContact O-N 2.92Å |
| 84 | L | 88.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 144 | 173.9 | -62.9 | 174 | 0 | 0 | 0 | 110.4 | F102 F121 I122 L124 A130 A133 K134 I149 R150 F151 | L84-F102 HydrophobicContact CD1-CE1 4.02Å; L84-F121 VanDerWaalsContact O-CA 3.25Å; L84-F121 WeakPolarHBondContact O-CA 3.2Å; L84-I122 HydrophobicContact CB-CG2 3.82Å; L84-I122 HydrophobicContact CD1-CG2 4.4Å; L84-I122 PolarHBondContact N-O 2.74Å; L84-I122 PolarHBondContact O-N 3.17Å; L84-L124 HydrophobicContact CD1-CD1 3.93Å; L84-A130 HydrophobicContact CD1-CB 4.17Å; L84-A130 HydrophobicContact CD2-CB 4.03Å; L84-A130 HydrophobicContact CG-CB 3.98Å; L84-A133 HydrophobicContact CD1-CB 4.1Å; L84-K134 HydrophobicContact CD2-CB 4.21Å; L84-I149 HydrophobicContact CB-CG2 4.15Å; L84-I149 HydrophobicContact CD1-CG2 3.97Å; L84-I149 HydrophobicContact CD2-CG2 4.22Å; L84-I149 HydrophobicContact CG-CG2 4.35Å; L84-R150 CarbonylContact C-O 3.56Å; L84-R150 WeakPolarHBondContact CA-O 3.25Å; L84-F151 HydrophobicContact CD2-CD1 3.85Å; L84-F151 HydrophobicContact CD2-CE1 3.75Å; L84-F151 HydrophobicContact CD2-CG 4.37Å; L84-F151 HydrophobicContact CD2-CZ 4.18Å |
| 85 | F | 90.1 | Very high | 82.5 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.6 | 163 | 170.6 | -100.6 | 0 | 0 | 0 | 108.5 | F119 F121 I149 R150 | F85-F119 HydrophobicContact CD2-CB 4.48Å; F85-F119 HydrophobicContact CD2-CD2 4.24Å; F85-F119 HydrophobicContact CE2-CB 3.54Å; F85-F119 HydrophobicContact CE2-CD1 4.41Å; F85-F119 AromaticContact CE2-CD2 3.65Å; F85-F119 HydrophobicContact CE2-CD2 3.65Å; F85-F119 AromaticContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CZ-CB 3.75Å; F85-F119 HydrophobicContact CZ-CG 4.19Å; F85-F121 HydrophobicContact CB-CD1 4.02Å; F85-F121 HydrophobicContact CB-CE1 3.83Å; F85-F121 HydrophobicContact CD2-CD1 4.11Å; F85-F121 AromaticContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE2 4.45Å; F85-F121 AromaticContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CE2-CZ 4.42Å; F85-F121 HydrophobicContact CG-CE1 4.17Å; F85-I149 WeakPolarHBondContact O-CA 3.04Å; F85-R150 PolarHBondContact N-O 3.36Å; F85-R150 PolarHBondContact O-N 3.22Å |
| 86 | V | 89.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 97.1 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | L89 F98 F102 F119 G120 I122 L147 R148 I149 | V86-L89 HydrophobicContact CB-CD1 4.49Å; V86-L89 HydrophobicContact CG1-CD1 4.33Å; V86-L89 HydrophobicContact CG1-CD2 3.83Å; V86-L89 HydrophobicContact CG1-CG 4.01Å; V86-F98 HydrophobicContact CB-CE2 3.82Å; V86-F98 HydrophobicContact CB-CZ 4.07Å; V86-F98 HydrophobicContact CG1-CE2 3.92Å; V86-F98 HydrophobicContact CG2-CE2 3.84Å; V86-F98 HydrophobicContact CG2-CZ 3.73Å; V86-F102 HydrophobicContact CG2-CE2 4.01Å; V86-F102 HydrophobicContact CG2-CZ 3.65Å; V86-F119 CarbonylContact O-C 3.56Å; V86-F119 WeakPolarHBondContact O-CA 3.23Å; V86-G120 PolarHBondContact N-O 2.69Å; V86-G120 PolarHBondContact O-N 3.49Å; V86-I122 HydrophobicContact CG2-CG2 4.35Å; V86-L147 HydrophobicContact CG1-CD1 4.49Å; V86-L147 HydrophobicContact CG1-CD2 4.45Å; V86-R148 CarbonylContact C-O 3.47Å; V86-I149 HydrophobicContact CB-CG1 4.39Å; V86-I149 HydrophobicContact CG1-CD1 4.38Å; V86-I149 HydrophobicContact CG1-CG1 3.96Å; V86-I149 HydrophobicContact CG2-CD1 4.43Å; V86-I149 HydrophobicContact CG2-CG1 4.12Å |
| 87 | G | 88.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 168.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L89 R148 | G87-L89 PolarHBondContact O-N 2.86Å; G87-R148 PolarHBondContact N-O 3.25Å; G87-R148 PolarHBondContact O-N 3.42Å |
| 88 | N | 88.1 | Confident | 84.9 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 62.9 | 23.2 | 178.3 | -152.3 | 34.3 | 0 | 0 | 0 | 115.2 | G118 R145 P146 | N88-G118 CarbonylContact C-O 3.57Å; N88-G118 PolarHBondContact N-O 3.17Å; N88-R145 PolarHBondContact O-NE 3.37Å; N88-R145 PolarHBondContact O-NH2 3.3Å; N88-R145 PolarHBondContact OD1-NE 2.71Å; N88-R145 PolarHBondContact OD1-NH2 2.74Å; N88-P146 WeakPolarHBondContact CB-O 3.49Å; N88-P146 PolarHBondContact ND2-O 3.45Å |
| 89 | L | 86.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | -61.3 | 140.8 | 175.3 | -72.6 | 170.5 | 0 | 0 | 0 | 111.7 | V86 G87 I93 F98 I113 G118 R145 L147 | V86-L89 HydrophobicContact CB-CD1 4.49Å; V86-L89 HydrophobicContact CG1-CD1 4.33Å; V86-L89 HydrophobicContact CG1-CD2 3.83Å; V86-L89 HydrophobicContact CG1-CG 4.01Å; G87-L89 PolarHBondContact O-N 2.86Å; L89-I93 HydrophobicContact CB-CG2 4.21Å; L89-I93 HydrophobicContact CD1-CG2 4.37Å; L89-I93 HydrophobicContact CD2-CG1 4.32Å; L89-I93 HydrophobicContact CD2-CG2 4.47Å; L89-F98 HydrophobicContact CD1-CD2 4.21Å; L89-F98 HydrophobicContact CD1-CE2 3.9Å; L89-F98 HydrophobicContact CD2-CD2 4.07Å; L89-F98 HydrophobicContact CD2-CE2 4.11Å; L89-I113 HydrophobicContact CD1-CG2 4.31Å; L89-G118 PolarHBondContact N-O 3.16Å; L89-G118 WeakPolarHBondContact O-CA 3.46Å; L89-R145 PolarHBondContact O-NH1 2.73Å; L89-R145 PolarHBondContact O-NH2 2.91Å; L89-L147 HydrophobicContact CD2-CD2 3.68Å; L89-L147 HydrophobicContact CG-CD2 4.44Å | ||
| 90 | P | 83.3 | Confident | 85.5 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | trans | -65.7 | 148.2 | 169.9 | 27.7 | -31 | 0 | 0 | 0 | 110.9 | D92 I93 K143 | P90-D92 PolarHBondContact O-N 2.77Å; P90-I93 HydrophobicContact CG-CB 4.21Å; P90-I93 HydrophobicContact CG-CD1 4.37Å; P90-I93 WeakPolarHBondContact O-CB 3.35Å; P90-I93 VanDerWaalsContact O-CG2 3.32Å; P90-I93 WeakPolarHBondContact O-CG2 3.38Å; P90-I93 PolarHBondContact O-N 2.9Å; P90-I93 VanDerWaalsContact O-N 3.14Å; P90-K143 HydrophobicContact CB-CB 4.42Å; P90-K143 HydrophobicContact CB-CD 4.27Å; P90-K143 HydrophobicContact CG-CD 4.23Å | ||
| 91 | T | 83.1 | Confident | 85.6 | Confident | 87 Ų | 87 | 52 Ų | 52 | 53% | 0.534 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.8 | 175.3 | 37 | 0 | 0 | 0 | 0 | 112.6 | I93 | T91-I93 VanDerWaalsContact C-N 3.28Å; T91-I93 PolarHBondContact O-N 3.24Å |
| 92 | D | 83.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 49 Ų | 49 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 21.8 | 180 | -54.8 | -108.1 | 0 | 0 | 0 | 113.1 | P90 K143 | P90-D92 PolarHBondContact O-N 2.77Å; D92-K143 HydrophobicContact CB-CD 4.43Å; D92-K143 PolarHBondContact O-NZ 3.24Å |
| 93 | I | 83.7 | Confident | 85.9 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | trans | -84.1 | 129.7 | 168.3 | -157.2 | 81.5 | 0 | 0 | 0 | 109.2 | L89 P90 T91 D97 F98 I113 L142 | L89-I93 HydrophobicContact CB-CG2 4.21Å; L89-I93 HydrophobicContact CD1-CG2 4.37Å; L89-I93 HydrophobicContact CD2-CG1 4.32Å; L89-I93 HydrophobicContact CD2-CG2 4.47Å; P90-I93 HydrophobicContact CG-CB 4.21Å; P90-I93 HydrophobicContact CG-CD1 4.37Å; P90-I93 WeakPolarHBondContact O-CB 3.35Å; P90-I93 VanDerWaalsContact O-CG2 3.32Å; P90-I93 WeakPolarHBondContact O-CG2 3.38Å; P90-I93 PolarHBondContact O-N 2.9Å; P90-I93 VanDerWaalsContact O-N 3.14Å; T91-I93 VanDerWaalsContact C-N 3.28Å; T91-I93 PolarHBondContact O-N 3.24Å; I93-D97 HydrophobicContact CD1-CB 3.93Å; I93-D97 HydrophobicContact CG1-CB 4.26Å; I93-F98 HydrophobicContact CG1-CB 4.34Å; I93-I113 HydrophobicContact CG2-CG2 3.96Å; I93-L142 HydrophobicContact CD1-CD1 3.99Å | ||
| 94 | T | 86.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | trans | -92 | 167.2 | 168.5 | 69 | 0 | 0 | 0 | 0 | 111 | E96 D97 F98 | T94-E96 PolarHBondContact O-N 2.88Å; T94-E96 PolarHBondContact OG1-N 3.36Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D97 PolarHBondContact N-OD2 3.38Å; T94-D97 PolarHBondContact OG1-N 2.92Å; T94-D97 PolarHBondContact OG1-OD2 2.8Å; T94-F98 WeakPolarHBondContact O-CB 3.4Å; T94-F98 PolarHBondContact O-N 2.98Å | ||
| 95 | E | 85 | Confident | 85.4 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | 170.7 | -166 | -171.9 | 125.1 | 0 | 0 | 111.5 | F98 K99 V111 I113 | E95-F98 PolarHBondContact O-N 3.21Å; E95-K99 HydrophobicContact CG-CD 4.41Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 WeakPolarHBondContact OE1-CE 3.4Å; E95-K99 IonicContact OE1-NZ 2.71Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; E95-V111 HydrophobicContact CG-CG1 3.78Å; E95-I113 HydrophobicContact CB-CD1 4.32Å; E95-I113 HydrophobicContact CG-CD1 4.49Å |
| 96 | E | 86.4 | Confident | 84.9 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.2 | -45.6 | 179 | -62.3 | 175 | 86.3 | 0 | 0 | 111.5 | T94 F98 K99 R100 | T94-E96 PolarHBondContact O-N 2.88Å; T94-E96 PolarHBondContact OG1-N 3.36Å; E96-F98 VanDerWaalsContact C-N 3.28Å; E96-F98 PolarHBondContact O-N 3.45Å; E96-K99 PolarHBondContact O-N 3.35Å; E96-R100 WeakPolarHBondContact O-CB 3.4Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.42Å; E96-R100 PolarHBondContact O-N 3.35Å |
| 97 | D | 86.2 | Confident | 84.4 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.4 | -60.6 | -53.2 | 0 | 0 | 0 | 111 | I93 T94 R100 L101 | I93-D97 HydrophobicContact CD1-CB 3.93Å; I93-D97 HydrophobicContact CG1-CB 4.26Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D97 PolarHBondContact N-OD2 3.38Å; T94-D97 PolarHBondContact OG1-N 2.92Å; T94-D97 PolarHBondContact OG1-OD2 2.8Å; D97-R100 PolarHBondContact O-N 3.3Å; D97-L101 PolarHBondContact O-N 3.49Å |
| 98 | F | 85.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | -179.4 | -171.3 | -98.3 | 0 | 0 | 0 | 111.5 | V86 L89 I93 T94 E95 E96 L101 F102 V111 I113 I122 | V86-F98 HydrophobicContact CB-CE2 3.82Å; V86-F98 HydrophobicContact CB-CZ 4.07Å; V86-F98 HydrophobicContact CG1-CE2 3.92Å; V86-F98 HydrophobicContact CG2-CE2 3.84Å; V86-F98 HydrophobicContact CG2-CZ 3.73Å; L89-F98 HydrophobicContact CD1-CD2 4.21Å; L89-F98 HydrophobicContact CD1-CE2 3.9Å; L89-F98 HydrophobicContact CD2-CD2 4.07Å; L89-F98 HydrophobicContact CD2-CE2 4.11Å; I93-F98 HydrophobicContact CG1-CB 4.34Å; T94-F98 WeakPolarHBondContact O-CB 3.4Å; T94-F98 PolarHBondContact O-N 2.98Å; E95-F98 PolarHBondContact O-N 3.21Å; E96-F98 VanDerWaalsContact C-N 3.28Å; E96-F98 PolarHBondContact O-N 3.45Å; F98-L101 WeakPolarHBondContact O-CB 3.47Å; F98-L101 PolarHBondContact O-N 3.23Å; F98-F102 HydrophobicContact CD2-CE2 4.32Å; F98-F102 HydrophobicContact CE1-CD2 4.39Å; F98-F102 HydrophobicContact CE1-CE2 4.37Å; F98-F102 HydrophobicContact CE2-CD2 4.48Å; F98-F102 AromaticContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CZ-CD2 4.36Å; F98-F102 AromaticContact CZ-CE2 3.89Å; F98-F102 HydrophobicContact CZ-CE2 3.89Å; F98-F102 WeakPolarHBondContact O-CD2 3.33Å; F98-F102 PolarHBondContact O-N 3.25Å; F98-V111 HydrophobicContact CD1-CG1 3.59Å; F98-V111 HydrophobicContact CE1-CG1 3.84Å; F98-I113 HydrophobicContact CB-CD1 3.56Å; F98-I113 HydrophobicContact CD1-CD1 3.89Å; F98-I113 HydrophobicContact CD1-CG1 4.22Å; F98-I113 HydrophobicContact CD2-CD1 4.24Å; F98-I113 HydrophobicContact CE1-CG1 4.46Å; F98-I113 HydrophobicContact CG-CD1 3.66Å; F98-I113 HydrophobicContact CG-CG1 4.3Å; F98-I122 HydrophobicContact CD1-CD1 4.14Å; F98-I122 HydrophobicContact CE1-CB 3.84Å; F98-I122 HydrophobicContact CE1-CD1 3.69Å; F98-I122 HydrophobicContact CE1-CG1 4.32Å; F98-I122 HydrophobicContact CZ-CB 4.13Å; F98-I122 HydrophobicContact CZ-CD1 4.47Å; F98-I122 HydrophobicContact CZ-CG2 4.43Å |
| 99 | K | 85.8 | Confident | 84.1 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 172.2 | -84.9 | 173.8 | 168.5 | 164.4 | 0 | 111.5 | E95 E96 L101 F102 E103 P108 V111 | E95-K99 HydrophobicContact CG-CD 4.41Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 WeakPolarHBondContact OE1-CE 3.4Å; E95-K99 IonicContact OE1-NZ 2.71Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; E96-K99 PolarHBondContact O-N 3.35Å; K99-L101 PolarHBondContact O-N 2.97Å; K99-F102 CarbonylContact O-C 3.59Å; K99-F102 PolarHBondContact O-N 3.44Å; K99-E103 WeakPolarHBondContact O-CB 3.33Å; K99-E103 PolarHBondContact O-N 3.09Å; K99-P108 HydrophobicContact CG-CG 4.25Å; K99-V111 HydrophobicContact CG-CG2 4.1Å |
| 100 | R | 85.8 | Confident | 83.8 | Confident | 179 Ų | 179 | 72.3 Ų | 72.3 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.5 | -35.1 | 176 | -74.2 | 171.8 | 177.4 | -83.2 | 1.4 | 113 | E96 D97 F102 | E96-R100 WeakPolarHBondContact O-CB 3.4Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.42Å; E96-R100 PolarHBondContact O-N 3.35Å; D97-R100 PolarHBondContact O-N 3.3Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 2.99Å |
| 101 | L | 83.8 | Confident | 84.1 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 23% | 0.225 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 176.1 | -136.1 | 80.6 | 0 | 0 | 0 | 112.5 | D97 F98 K99 Y105 L137 L142 L147 | D97-L101 PolarHBondContact O-N 3.49Å; F98-L101 WeakPolarHBondContact O-CB 3.47Å; F98-L101 PolarHBondContact O-N 3.23Å; K99-L101 PolarHBondContact O-N 2.97Å; L101-Y105 WeakPolarHBondContact O-CE2 3.48Å; L101-L137 HydrophobicContact CD2-CD1 4.39Å; L101-L137 HydrophobicContact CD2-CD2 4.17Å; L101-L137 HydrophobicContact CG-CD2 4.12Å; L101-L142 HydrophobicContact CD1-CD1 4.26Å; L101-L142 HydrophobicContact CD2-CD1 4.09Å; L101-L147 HydrophobicContact CD2-CD1 3.73Å |
| 102 | F | 84.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -102.5 | -14.4 | -174.8 | -76.4 | -87 | 0 | 0 | 0 | 114.7 | L84 V86 F98 K99 R100 R104 Y105 I122 L124 A133 L137 I149 | L84-F102 HydrophobicContact CD1-CE1 4.02Å; V86-F102 HydrophobicContact CG2-CE2 4.01Å; V86-F102 HydrophobicContact CG2-CZ 3.65Å; F98-F102 HydrophobicContact CD2-CE2 4.32Å; F98-F102 HydrophobicContact CE1-CD2 4.39Å; F98-F102 HydrophobicContact CE1-CE2 4.37Å; F98-F102 HydrophobicContact CE2-CD2 4.48Å; F98-F102 AromaticContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CZ-CD2 4.36Å; F98-F102 AromaticContact CZ-CE2 3.89Å; F98-F102 HydrophobicContact CZ-CE2 3.89Å; F98-F102 WeakPolarHBondContact O-CD2 3.33Å; F98-F102 PolarHBondContact O-N 3.25Å; K99-F102 CarbonylContact O-C 3.59Å; K99-F102 PolarHBondContact O-N 3.44Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 2.99Å; F102-R104 PolarHBondContact O-N 3.3Å; F102-R104 VanDerWaalsContact O-N 3.17Å; F102-Y105 HydrophobicContact CD1-CD2 4.49Å; F102-Y105 CarbonylContact O-C 3.54Å; F102-Y105 WeakPolarHBondContact O-CA 3.2Å; F102-Y105 PolarHBondContact O-N 3.14Å; F102-I122 HydrophobicContact CB-CD1 3.48Å; F102-I122 VanDerWaalsContact CB-CD1 3.48Å; F102-I122 HydrophobicContact CD1-CD1 4.12Å; F102-I122 HydrophobicContact CD1-CG2 4.11Å; F102-I122 HydrophobicContact CD2-CD1 3.63Å; F102-I122 HydrophobicContact CE1-CG2 3.85Å; F102-I122 HydrophobicContact CE2-CD1 4.38Å; F102-I122 HydrophobicContact CE2-CG2 4.3Å; F102-I122 HydrophobicContact CG-CD1 3.48Å; F102-I122 VanDerWaalsContact CG-CD1 3.48Å; F102-I122 HydrophobicContact CG-CG1 4.47Å; F102-I122 HydrophobicContact CG-CG2 4.44Å; F102-I122 HydrophobicContact CZ-CG2 3.96Å; F102-L124 HydrophobicContact CD1-CD1 4.36Å; F102-A133 HydrophobicContact CD1-CB 4.09Å; F102-A133 HydrophobicContact CE1-CB 4.03Å; F102-L137 HydrophobicContact CD1-CD1 3.8Å; F102-L137 HydrophobicContact CD2-CD1 4.32Å; F102-L137 HydrophobicContact CE1-CD1 3.49Å; F102-L137 VanDerWaalsContact CE1-CD1 3.49Å; F102-L137 HydrophobicContact CE2-CD1 4.06Å; F102-L137 HydrophobicContact CG-CD1 4.21Å; F102-L137 HydrophobicContact CZ-CD1 3.63Å; F102-I149 HydrophobicContact CZ-CD1 3.97Å |
| 103 | E | 83.9 | Confident | 84.5 | Confident | 131 Ų | 131 | 70.8 Ų | 70.8 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52.5 | -36.1 | 179.4 | -176.2 | 172.2 | -165.7 | 0 | 0 | 112.9 | K99 Y105 G106 | K99-E103 WeakPolarHBondContact O-CB 3.33Å; K99-E103 PolarHBondContact O-N 3.09Å; E103-Y105 PolarHBondContact O-N 2.75Å; E103-G106 PolarHBondContact O-N 3.02Å |
| 104 | R | 83.4 | Confident | 84.7 | Confident | 176 Ų | 176 | 72.3 Ų | 72.3 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -21.7 | 175 | -166.3 | 178.1 | -177.7 | -145.7 | -1.7 | 113.9 | F102 E136 | F102-R104 PolarHBondContact O-N 3.3Å; F102-R104 VanDerWaalsContact O-N 3.17Å; R104-E136 IonicContact CZ-OE1 2.86Å; R104-E136 IonicContact NH1-OE1 3.24Å; R104-E136 PolarHBondContact NH1-OE1 2.77Å; R104-E136 IonicContact NH1-OE2 3.01Å |
| 105 | Y | 81.6 | Confident | 84.6 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 19.6 | 179.8 | -44.9 | -81.7 | 0 | 0 | 0 | 112.2 | L101 F102 E103 L129 I132 A133 E136 L137 | L101-Y105 WeakPolarHBondContact O-CE2 3.48Å; F102-Y105 HydrophobicContact CD1-CD2 4.49Å; F102-Y105 CarbonylContact O-C 3.54Å; F102-Y105 WeakPolarHBondContact O-CA 3.2Å; F102-Y105 PolarHBondContact O-N 3.14Å; E103-Y105 PolarHBondContact O-N 2.75Å; Y105-L129 WeakPolarHBondContact O-CB 3.27Å; Y105-L129 WeakPolarHBondContact O-CD1 3.33Å; Y105-I132 HydrophobicContact CD1-CG2 3.84Å; Y105-I132 HydrophobicContact CE1-CG2 3.92Å; Y105-A133 HydrophobicContact CD1-CB 4.01Å; Y105-A133 HydrophobicContact CD2-CB 3.85Å; Y105-A133 HydrophobicContact CE2-CB 4.46Å; Y105-A133 HydrophobicContact CG-CB 3.6Å; Y105-E136 HydrophobicContact CE1-CB 4.27Å; Y105-E136 WeakPolarHBondContact CE1-OE2 3.41Å; Y105-E136 WeakPolarHBondContact OH-CG 3.36Å; Y105-E136 PolarHBondContact OH-OE1 2.86Å; Y105-E136 PolarHBondContact OH-OE2 2.77Å; Y105-L137 HydrophobicContact CD2-CD1 4.18Å; Y105-L137 HydrophobicContact CE2-CD1 3.66Å; Y105-L137 HydrophobicContact CE2-CD2 4.24Å; Y105-L137 HydrophobicContact CE2-CG 3.89Å |
| 106 | G | 78.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | trans | 102.3 | 167.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E103 P108 | E103-G106 PolarHBondContact O-N 3.02Å; G106-P108 WeakPolarHBondContact O-CD 3.49Å | ||
| 107 | E | 80.3 | Confident | 84.3 | Confident | 154 Ų | 154 | 81.8 Ų | 81.8 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | trans | -72.6 | 126.5 | -177.6 | -166.4 | 178.5 | 168.2 | 0 | 0 | 111 | S109 | E107-S109 PolarHBondContact O-N 2.97Š| ||
| 108 | P | 84.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | trans | -83.1 | 118.6 | 178.5 | 31.3 | -33.1 | 0 | 0 | 0 | 111.7 | K99 G106 E110 V111 I122 R123 | K99-P108 HydrophobicContact CG-CG 4.25Å; G106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-E110 VanDerWaalsContact C-N 3.32Å; P108-E110 PolarHBondContact O-N 2.78Å; P108-V111 HydrophobicContact CB-CG2 3.67Å; P108-V111 HydrophobicContact CG-CG2 3.63Å; P108-I122 HydrophobicContact CB-CD1 3.57Å; P108-I122 HydrophobicContact CB-CG1 3.51Å; P108-I122 HydrophobicContact CG-CD1 4.02Å; P108-I122 HydrophobicContact CG-CG1 4.47Å; P108-R123 CarbonylContact C-O 3.39Å; P108-R123 WeakPolarHBondContact CA-O 3.39Å | ||
| 109 | S | 83.9 | Confident | 84.4 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -69.2 | -28.6 | 176.9 | 165.6 | 0 | 0 | 0 | 0 | 113.3 | E107 R123 | E107-S109 PolarHBondContact O-N 2.97Å; S109-R123 PolarHBondContact N-O 2.9Å |
| 110 | E | 81.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 125 | 178.7 | -167.9 | -170.7 | 157.6 | 0 | 0 | 108.5 | R83 P108 I122 R123 | R83-E110 IonicContact NH2-OE1 2.67Å; P108-E110 VanDerWaalsContact C-N 3.32Å; P108-E110 PolarHBondContact O-N 2.78Å; E110-I122 CarbonylContact O-C 3.58Å; E110-I122 WeakPolarHBondContact O-CA 3.48Å; E110-R123 HydrophobicContact CB-CB 3.72Å; E110-R123 PolarHBondContact O-N 2.96Å; E110-R123 IonicContact OE2-CZ 2.66Å; E110-R123 VanDerWaalsContact OE2-CZ 3.24Å; E110-R123 IonicContact OE2-NE 3.81Å; E110-R123 PolarHBondContact OE2-NE 2.77Å; E110-R123 IonicContact OE2-NH2 3.9Å; E110-R123 PolarHBondContact OE2-NH2 2.87Å |
| 111 | V | 88 | Confident | 84.8 | Confident | 29 Ų | 29 | 69 Ų | 69 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.4 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | E95 F98 K99 P108 I113 I122 | E95-V111 HydrophobicContact CG-CG1 3.78Å; F98-V111 HydrophobicContact CD1-CG1 3.59Å; F98-V111 HydrophobicContact CE1-CG1 3.84Å; K99-V111 HydrophobicContact CG-CG2 4.1Å; P108-V111 HydrophobicContact CB-CG2 3.67Å; P108-V111 HydrophobicContact CG-CG2 3.63Å; V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-I113 HydrophobicContact CG1-CG1 4.33Å; V111-I122 HydrophobicContact CG2-CD1 4.04Å; V111-I122 HydrophobicContact CG2-CG1 4.27Å |
| 112 | F | 87.4 | Confident | 85.1 | Confident | 103 Ų | 103 | 67 Ų | 67 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129 | 177.2 | 179.2 | -90.5 | 0 | 0 | 0 | 109.4 | N114 F119 G120 F121 | F112-N114 HydrophobicContact CE1-CB 4.08Å; F112-F119 HydrophobicContact CE1-CE2 4.48Å; F112-G120 CarbonylContact O-C 3.43Å; F112-G120 WeakPolarHBondContact O-CA 3.34Å; F112-F121 HydrophobicContact CB-CB 4.49Å; F112-F121 HydrophobicContact CD1-CD2 4.1Å; F112-F121 PolarHBondContact N-O 2.71Å; F112-F121 PolarHBondContact O-N 3.3Å |
| 113 | I | 88.1 | Confident | 85.3 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124 | -179.3 | -55.3 | 177.1 | 0 | 0 | 0 | 109.3 | L89 I93 E95 F98 V111 R115 | L89-I113 HydrophobicContact CD1-CG2 4.31Å; I93-I113 HydrophobicContact CG2-CG2 3.96Å; E95-I113 HydrophobicContact CB-CD1 4.32Å; E95-I113 HydrophobicContact CG-CD1 4.49Å; F98-I113 HydrophobicContact CB-CD1 3.56Å; F98-I113 HydrophobicContact CD1-CD1 3.89Å; F98-I113 HydrophobicContact CD1-CG1 4.22Å; F98-I113 HydrophobicContact CD2-CD1 4.24Å; F98-I113 HydrophobicContact CE1-CG1 4.46Å; F98-I113 HydrophobicContact CG-CD1 3.66Å; F98-I113 HydrophobicContact CG-CG1 4.3Å; V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-I113 HydrophobicContact CG1-CG1 4.33Å; I113-R115 HydrophobicContact CG2-CG 4.14Å |
| 114 | N | 87.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 97.1 | 172.2 | -171.8 | -45.9 | 0 | 0 | 0 | 108.8 | F112 D116 R117 G118 F119 | F112-N114 HydrophobicContact CE1-CB 4.08Å; N114-D116 PolarHBondContact OD1-N 2.99Å; N114-R117 PolarHBondContact OD1-N 3.06Å; N114-G118 PolarHBondContact O-N 3.24Å; N114-F119 CarbonylContact C-O 3.53Å; N114-F119 WeakPolarHBondContact CA-O 3.35Å; N114-F119 HydrophobicContact CB-CD1 4.4Å; N114-F119 HydrophobicContact CB-CD2 4.28Å; N114-F119 HydrophobicContact CB-CE1 4.01Å; N114-F119 HydrophobicContact CB-CE2 3.85Å; N114-F119 HydrophobicContact CB-CZ 3.7Å; N114-F119 PolarHBondContact N-O 3.44Å; N114-F119 PolarHBondContact O-N 2.83Å; N114-F119 VanDerWaalsContact O-N 3.14Å |
| 115 | R | 83.8 | Confident | 85.5 | Confident | 134 Ų | 134 | 56.8 Ų | 56.8 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -38.2 | -176.8 | -58.2 | -174.9 | -166.7 | 174.4 | 4.8 | 111.6 | I113 R117 G118 | I113-R115 HydrophobicContact CG2-CG 4.14Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.17Å; R115-G118 PolarHBondContact O-N 2.84Å |
| 116 | D | 83.5 | Confident | 85.5 | Confident | 157 Ų | 157 | 56.5 Ų | 56.5 | 84% | 0.84 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -36 | 179.7 | -53.8 | -96.3 | 0 | 0 | 0 | 113.1 | N114 | N114-D116 PolarHBondContact OD1-N 2.99Š|
| 117 | R | 82.6 | Confident | 85.8 | Confident | 186 Ų | 186 | 60 Ų | 60 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 4.2 | 179.2 | -67.3 | -174.5 | 60.9 | -149.3 | -6 | 113.7 | N114 R115 F119 | N114-R117 PolarHBondContact OD1-N 3.06Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.17Å; R117-F119 VanDerWaalsContact C-N 3.35Å; R117-F119 HydrophobicContact CB-CD1 3.48Å; R117-F119 VanDerWaalsContact CB-CD1 3.48Å; R117-F119 HydrophobicContact CB-CE1 3.35Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 PolarHBondContact O-N 3.18Å |
| 118 | G | 84.8 | Confident | 86 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | N88 L89 N114 R115 | N88-G118 CarbonylContact C-O 3.57Å; N88-G118 PolarHBondContact N-O 3.17Å; L89-G118 PolarHBondContact N-O 3.16Å; L89-G118 WeakPolarHBondContact O-CA 3.46Å; N114-G118 PolarHBondContact O-N 3.24Å; R115-G118 PolarHBondContact O-N 2.84Å |
| 119 | F | 88.6 | Confident | 86 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159 | 173.6 | 74 | -99.4 | 0 | 0 | 0 | 112.5 | F85 V86 F112 N114 R117 F121 | F85-F119 HydrophobicContact CD2-CB 4.48Å; F85-F119 HydrophobicContact CD2-CD2 4.24Å; F85-F119 HydrophobicContact CE2-CB 3.54Å; F85-F119 HydrophobicContact CE2-CD1 4.41Å; F85-F119 AromaticContact CE2-CD2 3.65Å; F85-F119 HydrophobicContact CE2-CD2 3.65Å; F85-F119 AromaticContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CZ-CB 3.75Å; F85-F119 HydrophobicContact CZ-CG 4.19Å; V86-F119 CarbonylContact O-C 3.56Å; V86-F119 WeakPolarHBondContact O-CA 3.23Å; F112-F119 HydrophobicContact CE1-CE2 4.48Å; N114-F119 CarbonylContact C-O 3.53Å; N114-F119 WeakPolarHBondContact CA-O 3.35Å; N114-F119 HydrophobicContact CB-CD1 4.4Å; N114-F119 HydrophobicContact CB-CD2 4.28Å; N114-F119 HydrophobicContact CB-CE1 4.01Å; N114-F119 HydrophobicContact CB-CE2 3.85Å; N114-F119 HydrophobicContact CB-CZ 3.7Å; N114-F119 PolarHBondContact N-O 3.44Å; N114-F119 PolarHBondContact O-N 2.83Å; N114-F119 VanDerWaalsContact O-N 3.14Å; R117-F119 VanDerWaalsContact C-N 3.35Å; R117-F119 HydrophobicContact CB-CD1 3.48Å; R117-F119 VanDerWaalsContact CB-CD1 3.48Å; R117-F119 HydrophobicContact CB-CE1 3.35Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 PolarHBondContact O-N 3.18Å; F119-F121 HydrophobicContact CD2-CD2 4.37Å; F119-F121 HydrophobicContact CD2-CE2 4.07Å; F119-F121 HydrophobicContact CE2-CD2 4.12Å; F119-F121 AromaticContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CZ 4.46Å |
| 120 | G | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 172.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V86 F112 | V86-G120 PolarHBondContact N-O 2.69Å; V86-G120 PolarHBondContact O-N 3.49Å; F112-G120 CarbonylContact O-C 3.43Å; F112-G120 WeakPolarHBondContact O-CA 3.34Å |
| 121 | F | 89.9 | Confident | 86.3 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.2 | 166.5 | -66.9 | -80.3 | 0 | 0 | 0 | 108.9 | R83 L84 F85 F112 F119 A152 | R83-F121 VanDerWaalsContact NH2-CG 3.27Å; L84-F121 VanDerWaalsContact O-CA 3.25Å; L84-F121 WeakPolarHBondContact O-CA 3.2Å; F85-F121 HydrophobicContact CB-CD1 4.02Å; F85-F121 HydrophobicContact CB-CE1 3.83Å; F85-F121 HydrophobicContact CD2-CD1 4.11Å; F85-F121 AromaticContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE2 4.45Å; F85-F121 AromaticContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CE2-CZ 4.42Å; F85-F121 HydrophobicContact CG-CE1 4.17Å; F112-F121 HydrophobicContact CB-CB 4.49Å; F112-F121 HydrophobicContact CD1-CD2 4.1Å; F112-F121 PolarHBondContact N-O 2.71Å; F112-F121 PolarHBondContact O-N 3.3Å; F119-F121 HydrophobicContact CD2-CD2 4.37Å; F119-F121 HydrophobicContact CD2-CE2 4.07Å; F119-F121 HydrophobicContact CE2-CD2 4.12Å; F119-F121 AromaticContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CZ 4.46Å; F121-A152 HydrophobicContact CD1-CB 3.85Å; F121-A152 HydrophobicContact CE1-CB 3.83Å |
| 122 | I | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.2 | 173.8 | -169.1 | 147.1 | 0 | 0 | 0 | 109.8 | R83 L84 V86 F98 F102 P108 E110 V111 L124 | R83-I122 CarbonylContact C-O 3.5Å; R83-I122 VanDerWaalsContact CA-O 3.27Å; R83-I122 WeakPolarHBondContact CA-O 3.17Å; L84-I122 HydrophobicContact CB-CG2 3.82Å; L84-I122 HydrophobicContact CD1-CG2 4.4Å; L84-I122 PolarHBondContact N-O 2.74Å; L84-I122 PolarHBondContact O-N 3.17Å; V86-I122 HydrophobicContact CG2-CG2 4.35Å; F98-I122 HydrophobicContact CD1-CD1 4.14Å; F98-I122 HydrophobicContact CE1-CB 3.84Å; F98-I122 HydrophobicContact CE1-CD1 3.69Å; F98-I122 HydrophobicContact CE1-CG1 4.32Å; F98-I122 HydrophobicContact CZ-CB 4.13Å; F98-I122 HydrophobicContact CZ-CD1 4.47Å; F98-I122 HydrophobicContact CZ-CG2 4.43Å; F102-I122 HydrophobicContact CB-CD1 3.48Å; F102-I122 VanDerWaalsContact CB-CD1 3.48Å; F102-I122 HydrophobicContact CD1-CD1 4.12Å; F102-I122 HydrophobicContact CD1-CG2 4.11Å; F102-I122 HydrophobicContact CD2-CD1 3.63Å; F102-I122 HydrophobicContact CE1-CG2 3.85Å; F102-I122 HydrophobicContact CE2-CD1 4.38Å; F102-I122 HydrophobicContact CE2-CG2 4.3Å; F102-I122 HydrophobicContact CG-CD1 3.48Å; F102-I122 VanDerWaalsContact CG-CD1 3.48Å; F102-I122 HydrophobicContact CG-CG1 4.47Å; F102-I122 HydrophobicContact CG-CG2 4.44Å; F102-I122 HydrophobicContact CZ-CG2 3.96Å; P108-I122 HydrophobicContact CB-CD1 3.57Å; P108-I122 HydrophobicContact CB-CG1 3.51Å; P108-I122 HydrophobicContact CG-CD1 4.02Å; P108-I122 HydrophobicContact CG-CG1 4.47Å; E110-I122 CarbonylContact O-C 3.58Å; E110-I122 WeakPolarHBondContact O-CA 3.48Å; V111-I122 HydrophobicContact CG2-CD1 4.04Å; V111-I122 HydrophobicContact CG2-CG1 4.27Å; I122-L124 HydrophobicContact CG1-CD2 4.48Å |
| 123 | R | 88.6 | Confident | 86.4 | Confident | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 109.5 | 177.4 | -174.9 | -163.6 | -69 | -109 | 2.7 | 109.1 | Y78 Q80 R83 P108 S109 E110 E183 | Y78-R123 WeakPolarHBondContact O-CD 3.45Å; Y78-R123 PolarHBondContact O-NH1 2.87Å; Q80-R123 VanDerWaalsContact NE2-NH2 3.15Å; R83-R123 HydrophobicContact CG-CB 4.49Å; P108-R123 CarbonylContact C-O 3.39Å; P108-R123 WeakPolarHBondContact CA-O 3.39Å; S109-R123 PolarHBondContact N-O 2.9Å; E110-R123 HydrophobicContact CB-CB 3.72Å; E110-R123 PolarHBondContact O-N 2.96Å; E110-R123 IonicContact OE2-CZ 2.66Å; E110-R123 VanDerWaalsContact OE2-CZ 3.24Å; E110-R123 IonicContact OE2-NE 3.81Å; E110-R123 PolarHBondContact OE2-NE 2.77Å; E110-R123 IonicContact OE2-NH2 3.9Å; E110-R123 PolarHBondContact OE2-NH2 2.87Å; R123-E183 IonicContact NH1-OE1 3.97Å |
| 124 | L | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -89 | 165.9 | 178.5 | -64.2 | 167.7 | 0 | 0 | 0 | 110.8 | Y78 C82 L84 F102 I122 A130 A133 | Y78-L124 WeakPolarHBondContact CD1-O 3.5Å; C82-L124 WeakPolarHBondContact CB-O 3.46Å; C82-L124 PolarHBondContact O-N 3.36Å; L84-L124 HydrophobicContact CD1-CD1 3.93Å; F102-L124 HydrophobicContact CD1-CD1 4.36Å; I122-L124 HydrophobicContact CG1-CD2 4.48Å; L124-A130 HydrophobicContact CD1-CB 4.12Å; L124-A133 HydrophobicContact CD1-CB 3.81Å | ||
| 125 | E | 84.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -63.9 | -48.4 | -177.8 | -173.9 | 174.9 | -149.8 | 0 | 0 | 112.4 | T77 Y78 L129 | T77-E125 CarbonylContact C-O 3.51Å; T77-E125 WeakPolarHBondContact CA-O 3.35Å; T77-E125 WeakPolarHBondContact CB-O 3.37Å; T77-E125 HydrophobicContact CG2-CG 3.61Å; Y78-E125 HydrophobicContact CD1-CB 4.34Å; Y78-E125 HydrophobicContact CD2-CG 4.44Å; Y78-E125 HydrophobicContact CE1-CB 3.71Å; Y78-E125 HydrophobicContact CE1-CG 4.29Å; Y78-E125 HydrophobicContact CE2-CB 4.19Å; Y78-E125 HydrophobicContact CE2-CG 3.83Å; Y78-E125 PolarHBondContact N-O 2.87Å; E125-L129 HydrophobicContact CB-CD1 4.25Å |
| 126 | S | 81.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | trans | -122.7 | 150.9 | -173.5 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | T128 L129 A130 | S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 3.43Å; S126-T128 PolarHBondContact OG-N 3.04Å; S126-L129 WeakPolarHBondContact O-CB 3.44Å; S126-L129 PolarHBondContact O-N 3.35Å; S126-A130 PolarHBondContact O-N 3.5Å; S126-A130 VanDerWaalsContact O-N 3.1Å | ||
| 127 | R | 83.4 | Confident | 86.6 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 35% | 0.347 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -39.1 | 173.9 | 178.9 | -177.1 | 164.2 | 174.5 | -1 | 110.9 | C82 L129 A130 E131 | C82-R127 PolarHBondContact SG-N 2.81Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.87Å; R127-A130 CarbonylContact O-C 3.54Å; R127-A130 WeakPolarHBondContact O-CA 3.34Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.16Å; R127-A130 VanDerWaalsContact O-N 3.1Å; R127-E131 HydrophobicContact CG-CG 4.42Å; R127-E131 IonicContact CZ-OE1 2.74Å; R127-E131 IonicContact NE-OE1 2.59Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NH2-OE1 3.56Å; R127-E131 PolarHBondContact NH2-OE1 3.18Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 3.4Å |
| 128 | T | 84.3 | Confident | 86.8 | Confident | 62 Ų | 62 | 35 Ų | 35 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.7 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | S126 A130 E131 I132 | S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 3.43Å; S126-T128 PolarHBondContact OG-N 3.04Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-E131 PolarHBondContact O-N 2.98Å; T128-I132 HydrophobicContact CG2-CD1 4.13Å; T128-I132 VanDerWaalsContact O-CG1 3.27Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.91Å |
| 129 | L | 85.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -39 | 174.1 | -68 | 169.7 | 0 | 0 | 0 | 111.7 | I67 Y105 E125 S126 R127 I132 A133 | I67-L129 HydrophobicContact CD1-CD1 3.85Å; I67-L129 HydrophobicContact CD1-CD2 3.95Å; I67-L129 HydrophobicContact CD1-CG 4.37Å; I67-L129 HydrophobicContact CG1-CD1 4.09Å; I67-L129 HydrophobicContact CG1-CD2 3.92Å; I67-L129 HydrophobicContact CG1-CG 4.24Å; I67-L129 HydrophobicContact CG2-CD1 4.15Å; Y105-L129 WeakPolarHBondContact O-CB 3.27Å; Y105-L129 WeakPolarHBondContact O-CD1 3.33Å; E125-L129 HydrophobicContact CB-CD1 4.25Å; S126-L129 WeakPolarHBondContact O-CB 3.44Å; S126-L129 PolarHBondContact O-N 3.35Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.87Å; L129-I132 PolarHBondContact O-N 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.16Å; L129-A133 PolarHBondContact O-N 2.95Å |
| 130 | A | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L84 L124 S126 R127 T128 K134 F151 | L84-A130 HydrophobicContact CD1-CB 4.17Å; L84-A130 HydrophobicContact CD2-CB 4.03Å; L84-A130 HydrophobicContact CG-CB 3.98Å; L124-A130 HydrophobicContact CD1-CB 4.12Å; S126-A130 PolarHBondContact O-N 3.5Å; S126-A130 VanDerWaalsContact O-N 3.1Å; R127-A130 CarbonylContact O-C 3.54Å; R127-A130 WeakPolarHBondContact O-CA 3.34Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.16Å; R127-A130 VanDerWaalsContact O-N 3.1Å; T128-A130 VanDerWaalsContact C-N 3.34Å; A130-K134 WeakPolarHBondContact O-CB 3.23Å; A130-K134 PolarHBondContact O-N 3.18Å; A130-F151 HydrophobicContact CB-CE1 3.87Å; A130-F151 HydrophobicContact CB-CZ 4.5Å |
| 131 | E | 86.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67 | -44.7 | 173.2 | -72.9 | 172.6 | 165.7 | 0 | 0 | 111.7 | R127 T128 A135 F151 | R127-E131 HydrophobicContact CG-CG 4.42Å; R127-E131 IonicContact CZ-OE1 2.74Å; R127-E131 IonicContact NE-OE1 2.59Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NH2-OE1 3.56Å; R127-E131 PolarHBondContact NH2-OE1 3.18Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 3.4Å; T128-E131 PolarHBondContact O-N 2.98Å; E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.87Å; E131-F151 HydrophobicContact CB-CZ 4.48Å; E131-F151 HydrophobicContact CG-CE1 4.47Å; E131-F151 HydrophobicContact CG-CE2 4.3Å; E131-F151 HydrophobicContact CG-CZ 3.58Å |
| 132 | I | 88.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 175.9 | -63.5 | 161.7 | 0 | 0 | 0 | 110.7 | Y105 T128 L129 K134 A135 E136 | Y105-I132 HydrophobicContact CD1-CG2 3.84Å; Y105-I132 HydrophobicContact CE1-CG2 3.92Å; T128-I132 HydrophobicContact CG2-CD1 4.13Å; T128-I132 VanDerWaalsContact O-CG1 3.27Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.91Å; L129-I132 PolarHBondContact O-N 3.28Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.13Å; I132-A135 PolarHBondContact O-N 3.49Å; I132-E136 PolarHBondContact O-N 2.83Å |
| 133 | A | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -39.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L84 F102 Y105 L124 L129 L137 | L84-A133 HydrophobicContact CD1-CB 4.1Å; F102-A133 HydrophobicContact CD1-CB 4.09Å; F102-A133 HydrophobicContact CE1-CB 4.03Å; Y105-A133 HydrophobicContact CD1-CB 4.01Å; Y105-A133 HydrophobicContact CD2-CB 3.85Å; Y105-A133 HydrophobicContact CE2-CB 4.46Å; Y105-A133 HydrophobicContact CG-CB 3.6Å; L124-A133 HydrophobicContact CD1-CB 3.81Å; L129-A133 WeakPolarHBondContact O-CB 3.16Å; L129-A133 PolarHBondContact O-N 2.95Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.12Å |
| 134 | K | 88.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 12% | 0.122 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 170.8 | 179.1 | -165.4 | 161.5 | -156.2 | 0 | 110.8 | L84 A130 I132 E136 D138 I149 F151 E241 | L84-K134 HydrophobicContact CD2-CB 4.21Å; A130-K134 WeakPolarHBondContact O-CB 3.23Å; A130-K134 PolarHBondContact O-N 3.18Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.13Å; K134-E136 VanDerWaalsContact C-N 3.33Å; K134-E136 PolarHBondContact O-N 3.38Å; K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 PolarHBondContact O-N 2.89Å; K134-I149 HydrophobicContact CB-CG2 4.02Å; K134-I149 HydrophobicContact CG-CB 4.38Å; K134-I149 HydrophobicContact CG-CG2 4.05Å; K134-F151 HydrophobicContact CD-CD2 4.2Å; K134-F151 HydrophobicContact CD-CE2 3.72Å; K134-F151 HydrophobicContact CD-CZ 4.43Å; K134-E241 IonicContact NZ-OE1 3.55Å; K134-E241 PolarHBondContact NZ-OE1 3.03Å; K134-E241 IonicContact NZ-OE2 3.12Å; K134-E241 PolarHBondContact NZ-OE2 3.04Å |
| 135 | A | 86.6 | Confident | 84.3 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 69% | 0.694 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.2 | -33.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E131 I132 | E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.87Å; I132-A135 PolarHBondContact O-N 3.49Å |
| 136 | E | 87.2 | Confident | 84.4 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.1 | -30.7 | -178.5 | -164.7 | 171.2 | 169.6 | 0 | 0 | 113.1 | R104 Y105 I132 K134 | R104-E136 IonicContact CZ-OE1 2.86Å; R104-E136 IonicContact NH1-OE1 3.24Å; R104-E136 PolarHBondContact NH1-OE1 2.77Å; R104-E136 IonicContact NH1-OE2 3.01Å; Y105-E136 HydrophobicContact CE1-CB 4.27Å; Y105-E136 WeakPolarHBondContact CE1-OE2 3.41Å; Y105-E136 WeakPolarHBondContact OH-CG 3.36Å; Y105-E136 PolarHBondContact OH-OE1 2.86Å; Y105-E136 PolarHBondContact OH-OE2 2.77Å; I132-E136 PolarHBondContact O-N 2.83Å; K134-E136 VanDerWaalsContact C-N 3.33Å; K134-E136 PolarHBondContact O-N 3.38Å |
| 137 | L | 86.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -99.5 | -18.9 | -177.6 | -61.1 | 172.5 | 0 | 0 | 0 | 114.5 | L101 F102 Y105 A133 T140 I149 | L101-L137 HydrophobicContact CD2-CD1 4.39Å; L101-L137 HydrophobicContact CD2-CD2 4.17Å; L101-L137 HydrophobicContact CG-CD2 4.12Å; F102-L137 HydrophobicContact CD1-CD1 3.8Å; F102-L137 HydrophobicContact CD2-CD1 4.32Å; F102-L137 HydrophobicContact CE1-CD1 3.49Å; F102-L137 VanDerWaalsContact CE1-CD1 3.49Å; F102-L137 HydrophobicContact CE2-CD1 4.06Å; F102-L137 HydrophobicContact CG-CD1 4.21Å; F102-L137 HydrophobicContact CZ-CD1 3.63Å; Y105-L137 HydrophobicContact CD2-CD1 4.18Å; Y105-L137 HydrophobicContact CE2-CD1 3.66Å; Y105-L137 HydrophobicContact CE2-CD2 4.24Å; Y105-L137 HydrophobicContact CE2-CG 3.89Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.12Å; L137-T140 VanDerWaalsContact O-CB 3.23Å; L137-T140 WeakPolarHBondContact O-CB 3.47Å; L137-T140 PolarHBondContact O-N 3.23Å; L137-T140 PolarHBondContact O-OG1 2.91Å; L137-I149 HydrophobicContact CB-CD1 3.27Å; L137-I149 HydrophobicContact CD1-CD1 4.35Å; L137-I149 HydrophobicContact CG-CD1 4.47Å |
| 138 | D | 87.4 | Confident | 84.9 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 135.8 | 175.5 | -169.4 | -142.6 | 0 | 0 | 0 | 110.9 | K134 T140 R148 I149 R150 | K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 PolarHBondContact O-N 2.89Å; D138-T140 PolarHBondContact O-N 2.75Å; D138-R148 VanDerWaalsContact OD2-CA 3.3Å; D138-R148 WeakPolarHBondContact OD2-CA 3.37Å; D138-I149 HydrophobicContact CB-CB 4.19Å; D138-I149 PolarHBondContact OD2-N 3.34Å; D138-R150 VanDerWaalsContact CG-NH1 3.26Å; D138-R150 IonicContact OD1-CZ 2.87Å; D138-R150 IonicContact OD1-NH1 2.75Å; D138-R150 PolarHBondContact OD1-NH1 3.16Å; D138-R150 IonicContact OD1-NH2 2.8Å; D138-R150 IonicContact OD2-NH1 3.31Å; D138-R150 PolarHBondContact OD2-NH1 3.09Å |
| 139 | G | 84.8 | Confident | 85.1 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -7.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I141 L147 | G139-I141 PolarHBondContact O-N 2.99Å; G139-L147 WeakPolarHBondContact CA-O 3.29Å; G139-L147 PolarHBondContact N-O 3.22Å |
| 140 | T | 85.1 | Confident | 85.2 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | trans | -58.7 | 126.7 | 178.7 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L137 D138 L142 P146 L147 | L137-T140 VanDerWaalsContact O-CB 3.23Å; L137-T140 WeakPolarHBondContact O-CB 3.47Å; L137-T140 PolarHBondContact O-N 3.23Å; L137-T140 PolarHBondContact O-OG1 2.91Å; D138-T140 PolarHBondContact O-N 2.75Å; T140-L142 PolarHBondContact O-N 2.78Å; T140-P146 WeakPolarHBondContact O-CA 3.26Å; T140-L147 WeakPolarHBondContact O-CG 3.3Å; T140-L147 PolarHBondContact O-N 2.66Å | ||
| 141 | I | 84.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 61.1 Ų | 61.1 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 100 | -176.9 | -54.5 | 177.5 | 0 | 0 | 0 | 110.2 | G139 R145 | G139-I141 PolarHBondContact O-N 2.99Å; I141-R145 WeakPolarHBondContact CA-O 3.42Å |
| 142 | L | 77.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 123.6 | 169.1 | -88.4 | -178.6 | 0 | 0 | 0 | 110.7 | I93 L101 T140 S144 R145 L147 | I93-L142 HydrophobicContact CD1-CD1 3.99Å; L101-L142 HydrophobicContact CD1-CD1 4.26Å; L101-L142 HydrophobicContact CD2-CD1 4.09Å; T140-L142 PolarHBondContact O-N 2.78Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.15Å; L142-R145 PolarHBondContact N-O 3.22Å; L142-R145 PolarHBondContact O-N 2.83Å; L142-R145 VanDerWaalsContact O-O 3.12Å; L142-L147 HydrophobicContact CB-CD2 4.41Å; L142-L147 HydrophobicContact CD1-CD1 3.93Å; L142-L147 HydrophobicContact CD1-CD2 4.24Å; L142-L147 HydrophobicContact CD1-CG 4.31Å; L142-L147 HydrophobicContact CG-CD1 4.46Å |
| 143 | K | 74.5 | Confident | 84.6 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 48.5 | 176.1 | -59.4 | -178.6 | 179.6 | 177.9 | 0 | 112.5 | P90 D92 R145 | P90-K143 HydrophobicContact CB-CB 4.42Å; P90-K143 HydrophobicContact CB-CD 4.27Å; P90-K143 HydrophobicContact CG-CD 4.23Å; D92-K143 HydrophobicContact CB-CD 4.43Å; D92-K143 PolarHBondContact O-NZ 3.24Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.75Å |
| 144 | S | 79.3 | Confident | 84.2 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 78% | 0.783 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 13 | -177.2 | -161.6 | 0 | 0 | 0 | 0 | 116.8 | L142 | L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.15Å |
| 145 | R | 81.4 | Confident | 83.6 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.4 | 174.7 | -65.9 | 176.1 | 67.8 | -167.5 | -6.1 | 110.4 | N88 L89 I141 L142 K143 L147 | N88-R145 PolarHBondContact O-NE 3.37Å; N88-R145 PolarHBondContact O-NH2 3.3Å; N88-R145 PolarHBondContact OD1-NE 2.71Å; N88-R145 PolarHBondContact OD1-NH2 2.74Å; L89-R145 PolarHBondContact O-NH1 2.73Å; L89-R145 PolarHBondContact O-NH2 2.91Å; I141-R145 WeakPolarHBondContact CA-O 3.42Å; L142-R145 PolarHBondContact N-O 3.22Å; L142-R145 PolarHBondContact O-N 2.83Å; L142-R145 VanDerWaalsContact O-O 3.12Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.75Å; R145-L147 PolarHBondContact O-N 3.29Å |
| 146 | P | 86.3 | Confident | 83.6 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.2 | 173.3 | 28.5 | -32.8 | 0 | 0 | 0 | 109.6 | N88 T140 | N88-P146 WeakPolarHBondContact CB-O 3.49Å; N88-P146 PolarHBondContact ND2-O 3.45Å; T140-P146 WeakPolarHBondContact O-CA 3.26Å |
| 147 | L | 88.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -63.1 | 147.9 | 170.2 | -64.6 | -173.3 | 0 | 0 | 0 | 110.3 | V86 L89 L101 G139 T140 L142 R145 | V86-L147 HydrophobicContact CG1-CD1 4.49Å; V86-L147 HydrophobicContact CG1-CD2 4.45Å; L89-L147 HydrophobicContact CD2-CD2 3.68Å; L89-L147 HydrophobicContact CG-CD2 4.44Å; L101-L147 HydrophobicContact CD2-CD1 3.73Å; G139-L147 WeakPolarHBondContact CA-O 3.29Å; G139-L147 PolarHBondContact N-O 3.22Å; T140-L147 WeakPolarHBondContact O-CG 3.3Å; T140-L147 PolarHBondContact O-N 2.66Å; L142-L147 HydrophobicContact CB-CD2 4.41Å; L142-L147 HydrophobicContact CD1-CD1 3.93Å; L142-L147 HydrophobicContact CD1-CD2 4.24Å; L142-L147 HydrophobicContact CD1-CG 4.31Å; L142-L147 HydrophobicContact CG-CD1 4.46Å; R145-L147 PolarHBondContact O-N 3.29Å | ||
| 148 | R | 86.6 | Confident | 84 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.8 | 171.1 | -172.6 | -179.5 | -174 | 169.6 | 7.1 | 109.8 | V86 G87 D138 D242 | V86-R148 CarbonylContact C-O 3.47Å; G87-R148 PolarHBondContact N-O 3.25Å; G87-R148 PolarHBondContact O-N 3.42Å; D138-R148 VanDerWaalsContact OD2-CA 3.3Å; D138-R148 WeakPolarHBondContact OD2-CA 3.37Å; R148-D242 IonicContact CZ-OD1 3.98Å; R148-D242 IonicContact CZ-OD2 2.73Å; R148-D242 IonicContact NE-OD1 2.69Å; R148-D242 IonicContact NE-OD2 3.8Å; R148-D242 IonicContact NH2-OD1 3.76Å; R148-D242 PolarHBondContact NH2-OD1 2.93Å; R148-D242 IonicContact NH2-OD2 3.35Å; R148-D242 PolarHBondContact NH2-OD2 2.96Å |
| 149 | I | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.1 | -176.5 | -57.2 | 176.5 | 0 | 0 | 0 | 109.9 | L84 F85 V86 F102 K134 L137 D138 | L84-I149 HydrophobicContact CB-CG2 4.15Å; L84-I149 HydrophobicContact CD1-CG2 3.97Å; L84-I149 HydrophobicContact CD2-CG2 4.22Å; L84-I149 HydrophobicContact CG-CG2 4.35Å; F85-I149 WeakPolarHBondContact O-CA 3.04Å; V86-I149 HydrophobicContact CB-CG1 4.39Å; V86-I149 HydrophobicContact CG1-CD1 4.38Å; V86-I149 HydrophobicContact CG1-CG1 3.96Å; V86-I149 HydrophobicContact CG2-CD1 4.43Å; V86-I149 HydrophobicContact CG2-CG1 4.12Å; F102-I149 HydrophobicContact CZ-CD1 3.97Å; K134-I149 HydrophobicContact CB-CG2 4.02Å; K134-I149 HydrophobicContact CG-CB 4.38Å; K134-I149 HydrophobicContact CG-CG2 4.05Å; L137-I149 HydrophobicContact CB-CD1 3.27Å; L137-I149 HydrophobicContact CD1-CD1 4.35Å; L137-I149 HydrophobicContact CG-CD1 4.47Å; D138-I149 HydrophobicContact CB-CB 4.19Å; D138-I149 PolarHBondContact OD2-N 3.34Å |
| 150 | R | 87.4 | Confident | 84.6 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 163.4 | -178.8 | -66.4 | -63.8 | 177.5 | -107.5 | 12.9 | 109.8 | L84 F85 D138 D242 | L84-R150 CarbonylContact C-O 3.56Å; L84-R150 WeakPolarHBondContact CA-O 3.25Å; F85-R150 PolarHBondContact N-O 3.36Å; F85-R150 PolarHBondContact O-N 3.22Å; D138-R150 VanDerWaalsContact CG-NH1 3.26Å; D138-R150 IonicContact OD1-CZ 2.87Å; D138-R150 IonicContact OD1-NH1 2.75Å; D138-R150 PolarHBondContact OD1-NH1 3.16Å; D138-R150 IonicContact OD1-NH2 2.8Å; D138-R150 IonicContact OD2-NH1 3.31Å; D138-R150 PolarHBondContact OD2-NH1 3.09Å; R150-D242 WeakPolarHBondContact CD-OD2 3.33Å; R150-D242 IonicContact CZ-OD1 3.69Å; R150-D242 VanDerWaalsContact CZ-OD1 3.31Å; R150-D242 IonicContact CZ-OD2 3.74Å; R150-D242 IonicContact NE-OD1 2.92Å; R150-D242 PolarHBondContact NE-OD1 3.23Å; R150-D242 IonicContact NE-OD2 2.73Å; R150-D242 PolarHBondContact NE-OD2 2.79Å; R150-D242 IonicContact NH2-OD1 3.97Å; R150-D242 PolarHBondContact NH2-OD1 2.94Å; R150-D242 IonicContact NH2-OD2 3.91Å |
| 151 | F | 86.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 136.9 | 166.7 | -72 | -77.7 | 0 | 0 | 0 | 109.8 | L84 A130 E131 K134 | L84-F151 HydrophobicContact CD2-CD1 3.85Å; L84-F151 HydrophobicContact CD2-CE1 3.75Å; L84-F151 HydrophobicContact CD2-CG 4.37Å; L84-F151 HydrophobicContact CD2-CZ 4.18Å; A130-F151 HydrophobicContact CB-CE1 3.87Å; A130-F151 HydrophobicContact CB-CZ 4.5Å; E131-F151 HydrophobicContact CB-CZ 4.48Å; E131-F151 HydrophobicContact CG-CE1 4.47Å; E131-F151 HydrophobicContact CG-CE2 4.3Å; E131-F151 HydrophobicContact CG-CZ 3.58Å; K134-F151 HydrophobicContact CD-CD2 4.2Å; K134-F151 HydrophobicContact CD-CE2 3.72Å; K134-F151 HydrophobicContact CD-CZ 4.43Å |
| 152 | A | 83.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 136.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | R83 F121 H154 | R83-A152 HydrophobicContact CB-CB 4.02Å; R83-A152 HydrophobicContact CG-CB 3.84Å; R83-A152 VanDerWaalsContact O-CB 3.29Å; R83-A152 WeakPolarHBondContact O-CB 3.44Å; R83-A152 PolarHBondContact O-N 2.92Å; F121-A152 HydrophobicContact CD1-CB 3.85Å; F121-A152 HydrophobicContact CE1-CB 3.83Å; A152-H154 PolarHBondContact O-N 3.03Å; A152-H154 VanDerWaalsContact O-N 3.16Å |
| 153 | T | 77.5 | Confident | 85.9 | Confident | 108 Ų | 108 | 47.3 Ų | 47.3 | 66% | 0.663 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 119.9 | 178.9 | 46 | 0 | 0 | 0 | 0 | 110.9 | G155 Q237 | T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.25Å; T153-Q237 VanDerWaalsContact C-OE1 3.29Å; T153-Q237 VanDerWaalsContact CB-OE1 3.27Å |
| 154 | H | 79.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.06 | 23% | 0.231 | C | C | . | . | trans | -77.6 | 75.7 | -177.2 | -171.6 | -56.6 | 0 | 0 | 0 | 110 | Q80 A152 A156 A157 E183 F203 Q237 | Q80-H154 WeakPolarHBondContact CB-CD2 3.42Å; A152-H154 PolarHBondContact O-N 3.03Å; A152-H154 VanDerWaalsContact O-N 3.16Å; H154-A156 VanDerWaalsContact CE1-C 3.43Å; H154-A156 PolarHBondContact ND1-N 2.82Å; H154-A156 PolarHBondContact O-N 3.41Å; H154-A157 WeakPolarHBondContact ND1-CB 3.25Å; H154-A157 PolarHBondContact ND1-N 2.84Å; H154-A157 VanDerWaalsContact ND1-N 3.12Å; H154-A157 PolarHBondContact O-N 3.39Å; H154-E183 IonicContact NE2-OE2 2.81Å; H154-F203 PolarHBondContact CE1-O 3.1Å; H154-Q237 PolarHBondContact O-NE2 2.92Å | ||
| 155 | G | 76.3 | Confident | 87 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 15.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | T153 K206 | T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.25Å; G155-K206 WeakPolarHBondContact O-CG 3.5Å |
| 156 | A | 86.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130 | 19.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | H154 F203 A205 A209 | H154-A156 VanDerWaalsContact CE1-C 3.43Å; H154-A156 PolarHBondContact ND1-N 2.82Å; H154-A156 PolarHBondContact O-N 3.41Å; A156-F203 HydrophobicContact CB-CB 4.28Å; A156-F203 VanDerWaalsContact CB-O 3.26Å; A156-F203 WeakPolarHBondContact CB-O 3.47Å; A156-F203 PolarHBondContact O-N 3.19Å; A156-A205 VanDerWaalsContact CB-C 3.49Å; A156-A205 WeakPolarHBondContact CB-O 3.17Å; A156-A209 HydrophobicContact CB-CB 4.1Å |
| 157 | A | 89.2 | Confident | 87.6 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | H154 E202 M235 | H154-A157 WeakPolarHBondContact ND1-CB 3.25Å; H154-A157 PolarHBondContact ND1-N 2.84Å; H154-A157 VanDerWaalsContact ND1-N 3.12Å; H154-A157 PolarHBondContact O-N 3.39Å; A157-E202 HydrophobicContact CB-CG 4.1Å; A157-M235 HydrophobicContact CB-CB 3.78Å; A157-M235 HydrophobicContact CB-CG 4.39Å; A157-M235 HydrophobicContact CB-SD 3.82Å; A157-M235 WeakPolarHBondContact O-CB 3.41Å; A157-M235 PolarHBondContact O-N 3.21Å |
| 158 | L | 91.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.7 | 178.5 | -56.7 | 179.6 | 0 | 0 | 0 | 110.4 | F200 V201 F203 A209 A212 V232 E233 | L158-F200 CarbonylContact O-C 3.55Å; L158-F200 VanDerWaalsContact O-CA 3.27Å; L158-F200 WeakPolarHBondContact O-CA 3.37Å; L158-V201 PolarHBondContact N-O 2.87Å; L158-V201 PolarHBondContact O-N 3.33Å; L158-F203 HydrophobicContact CD1-CD2 4.25Å; L158-F203 HydrophobicContact CD1-CE2 3.8Å; L158-A209 HydrophobicContact CD1-CB 4.26Å; L158-A209 WeakPolarHBondContact CD1-O 3.48Å; L158-A209 HydrophobicContact CD2-CB 4.25Å; L158-A209 HydrophobicContact CG-CB 4.19Å; L158-A212 HydrophobicContact CD1-CB 3.84Å; L158-V232 HydrophobicContact CB-CG1 3.95Å; L158-V232 HydrophobicContact CD1-CG1 3.6Å; L158-V232 HydrophobicContact CG-CG1 4.24Å; L158-E233 CarbonylContact C-O 3.57Å; L158-E233 VanDerWaalsContact CA-O 3.31Å; L158-E233 WeakPolarHBondContact CA-O 3.38Å |
| 159 | T | 92.1 | Very high | 88 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.9 | 168.4 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | K161 V232 E233 | T159-K161 HydrophobicContact CG2-CG 4.18Å; T159-V232 WeakPolarHBondContact O-CA 3.4Å; T159-E233 PolarHBondContact N-O 3.41Å; T159-E233 PolarHBondContact O-N 3.44Å |
| 160 | V | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.1 | 175.4 | -167.5 | 0 | 0 | 0 | 0 | 108.9 | L163 L172 F176 K198 G199 V201 V230 I231 V232 | V160-L163 HydrophobicContact CB-CD2 4.41Å; V160-L163 HydrophobicContact CG1-CD2 3.59Å; V160-L163 HydrophobicContact CG1-CG 4.13Å; V160-L172 HydrophobicContact CG1-CD1 4.45Å; V160-F176 HydrophobicContact CG1-CE2 4.37Å; V160-F176 HydrophobicContact CG1-CZ 4.01Å; V160-F176 HydrophobicContact CG2-CE1 4.03Å; V160-F176 HydrophobicContact CG2-CE2 4.18Å; V160-F176 HydrophobicContact CG2-CZ 3.61Å; V160-K198 CarbonylContact O-C 3.45Å; V160-K198 WeakPolarHBondContact O-CA 3.45Å; V160-G199 PolarHBondContact N-O 3.44Å; V160-G199 PolarHBondContact O-N 2.98Å; V160-V201 HydrophobicContact CG2-CG2 3.79Å; V160-V230 HydrophobicContact CG1-CB 3.83Å; V160-V230 HydrophobicContact CG1-CG1 4.47Å; V160-V230 HydrophobicContact CG1-CG2 4.14Å; V160-I231 CarbonylContact C-O 3.54Å; V160-I231 WeakPolarHBondContact CA-O 3.46Å; V160-V232 HydrophobicContact CG1-CG2 4.34Å; V160-V232 HydrophobicContact CG2-CG2 4.42Å |
| 161 | K | 91.8 | Very high | 88.2 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 169 | 179.1 | -58.7 | 176.6 | -174.2 | 167.6 | 0 | 110.4 | T159 L163 G197 I231 E233 | T159-K161 HydrophobicContact CG2-CG 4.18Å; K161-L163 VanDerWaalsContact C-N 3.25Å; K161-L163 PolarHBondContact O-N 3.03Å; K161-G197 CarbonylContact C-O 3.44Å; K161-I231 HydrophobicContact CB-CB 4.21Å; K161-I231 PolarHBondContact N-O 2.84Å; K161-I231 PolarHBondContact O-N 2.78Å; K161-E233 WeakPolarHBondContact CE-OE1 3.41Å; K161-E233 WeakPolarHBondContact CE-OE2 3.3Å; K161-E233 IonicContact NZ-OE1 3.48Å; K161-E233 PolarHBondContact NZ-OE1 3.3Å; K161-E233 IonicContact NZ-OE2 2.77Å; K161-E233 PolarHBondContact NZ-OE2 3.4Å |
| 162 | N | 91.9 | Very high | 88.5 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 61.3 | 29.2 | -177 | -161.5 | 38.5 | 0 | 0 | 0 | 113.9 | G197 P229 I231 | N162-G197 PolarHBondContact N-O 2.79Å; N162-P229 PolarHBondContact ND2-O 3.17Å; N162-I231 HydrophobicContact CB-CD1 4.22Å; N162-I231 HydrophobicContact CB-CG1 4.31Å |
| 163 | L | 90.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -65.9 | 139.2 | 174.7 | -64.9 | 179.8 | 0 | 0 | 0 | 111 | V160 K161 L172 V187 G197 L223 V230 | V160-L163 HydrophobicContact CB-CD2 4.41Å; V160-L163 HydrophobicContact CG1-CD2 3.59Å; V160-L163 HydrophobicContact CG1-CG 4.13Å; K161-L163 VanDerWaalsContact C-N 3.25Å; K161-L163 PolarHBondContact O-N 3.03Å; L163-L172 HydrophobicContact CD1-CD1 4.42Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD1 3.96Å; L163-V187 HydrophobicContact CD1-CG1 4.29Å; L163-V187 HydrophobicContact CD1-CG2 4.12Å; L163-G197 PolarHBondContact N-O 3.03Å; L163-G197 WeakPolarHBondContact O-CA 3.33Å; L163-L223 HydrophobicContact CD2-CD1 3.65Å; L163-V230 HydrophobicContact CD2-CB 4.42Å; L163-V230 HydrophobicContact CD2-CG1 3.76Å | ||
| 164 | S | 90.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -72.3 | 141.7 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | V166 V167 | S164-V166 PolarHBondContact O-N 2.94Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 WeakPolarHBondContact O-CG2 3.06Å; S164-V167 PolarHBondContact O-N 2.76Å | ||
| 165 | P | 88 | Confident | 90.2 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 58% | 0.578 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9 | -175.7 | 27.4 | -36.6 | 0 | 0 | 0 | 114.6 | A195 | P165-A195 HydrophobicContact CB-CB 4.37Š|
| 166 | V | 89.3 | Confident | 90.9 | Very high | 109 Ų | 109 | 45.5 Ų | 45.5 | 66% | 0.661 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.5 | 172.8 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | S164 S168 T224 | S164-V166 PolarHBondContact O-N 2.94Å; V166-S168 PolarHBondContact O-N 3.16Å; V166-T224 HydrophobicContact CG2-CG2 3.72Å |
| 167 | V | 90.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | trans | -78.8 | 117.3 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | S164 L171 L172 V187 L223 T224 | S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 WeakPolarHBondContact O-CG2 3.06Å; S164-V167 PolarHBondContact O-N 2.76Å; V167-L171 HydrophobicContact CG1-CB 4.49Å; V167-L171 HydrophobicContact CG1-CD2 4.43Å; V167-L171 HydrophobicContact CG2-CD2 4.31Å; V167-L172 HydrophobicContact CG1-CB 4.15Å; V167-V187 HydrophobicContact CG1-CG2 4.32Å; V167-L223 HydrophobicContact CG1-CD1 3.87Å; V167-L223 HydrophobicContact CG2-CB 4.05Å; V167-L223 HydrophobicContact CG2-CD1 4.04Å; V167-T224 HydrophobicContact CG2-CG2 3.85Å | ||
| 168 | S | 91.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -83 | 164 | 169.2 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | V166 E170 L171 L172 | V166-S168 PolarHBondContact O-N 3.16Å; S168-E170 VanDerWaalsContact C-N 3.26Å; S168-E170 PolarHBondContact O-N 3.27Å; S168-L171 PolarHBondContact O-N 3.33Å; S168-L171 PolarHBondContact OG-N 3.35Å; S168-L171 VanDerWaalsContact OG-N 3.11Å; S168-L172 WeakPolarHBondContact O-CB 3.34Å; S168-L172 PolarHBondContact O-N 2.97Å | ||
| 169 | N | 91.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.6 | -42.1 | 167 | 48 | -63.3 | 0 | 0 | 0 | 112.3 | L172 E173 | N169-L172 PolarHBondContact O-N 3.31Å; N169-E173 PolarHBondContact O-N 3.43Å |
| 170 | E | 90.6 | Very high | 91.3 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.1 | -43.8 | 177.3 | -62.8 | 174.3 | 97.9 | 0 | 0 | 112.5 | S168 L172 E173 Q174 | S168-E170 VanDerWaalsContact C-N 3.26Å; S168-E170 PolarHBondContact O-N 3.27Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 2.92Å; E170-E173 PolarHBondContact O-N 2.94Å; E170-Q174 WeakPolarHBondContact O-CB 3.27Å; E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.17Å |
| 171 | L | 91.9 | Very high | 91.2 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177 | -177.3 | 63.5 | 0 | 0 | 0 | 111 | V167 S168 A175 | V167-L171 HydrophobicContact CG1-CB 4.49Å; V167-L171 HydrophobicContact CG1-CD2 4.43Å; V167-L171 HydrophobicContact CG2-CD2 4.31Å; S168-L171 PolarHBondContact O-N 3.33Å; S168-L171 PolarHBondContact OG-N 3.35Å; S168-L171 VanDerWaalsContact OG-N 3.11Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.1Å; L171-A175 PolarHBondContact O-N 3.15Å |
| 172 | L | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.9 | -171 | 67.1 | 0 | 0 | 0 | 111.2 | V160 L163 V167 S168 N169 E170 F176 A185 V187 V201 L223 | V160-L172 HydrophobicContact CG1-CD1 4.45Å; L163-L172 HydrophobicContact CD1-CD1 4.42Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD1 3.96Å; V167-L172 HydrophobicContact CG1-CB 4.15Å; S168-L172 WeakPolarHBondContact O-CB 3.34Å; S168-L172 PolarHBondContact O-N 2.97Å; N169-L172 PolarHBondContact O-N 3.31Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 2.92Å; L172-F176 HydrophobicContact CD1-CD2 3.8Å; L172-F176 HydrophobicContact CD1-CE2 3.56Å; L172-F176 HydrophobicContact CG-CD2 4.36Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å; L172-F176 PolarHBondContact O-N 3.3Å; L172-F176 VanDerWaalsContact O-N 3.09Å; L172-A185 HydrophobicContact CB-CB 4.18Å; L172-A185 HydrophobicContact CD2-CB 4.12Å; L172-A185 HydrophobicContact CG-CB 4.06Å; L172-V187 HydrophobicContact CB-CG2 4.45Å; L172-V187 HydrophobicContact CD2-CG2 4.03Å; L172-V201 HydrophobicContact CD1-CG2 4.3Å; L172-V201 HydrophobicContact CD2-CG2 3.88Å; L172-V201 HydrophobicContact CG-CG2 3.84Å; L172-L223 HydrophobicContact CD1-CD1 3.85Å |
| 173 | E | 91.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -52.5 | 175 | -173.8 | 172.3 | 155 | 0 | 0 | 111.7 | K76 N169 E170 A175 F176 S177 V182 A185 | K76-E173 IonicContact NZ-OE1 3.72Å; K76-E173 PolarHBondContact NZ-OE1 2.92Å; K76-E173 IonicContact NZ-OE2 3.53Å; N169-E173 PolarHBondContact O-N 3.43Å; E170-E173 PolarHBondContact O-N 2.94Å; E173-A175 VanDerWaalsContact C-N 3.33Å; E173-A175 PolarHBondContact O-N 3.29Å; E173-F176 PolarHBondContact O-N 3.02Å; E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 2.84Å; E173-V182 HydrophobicContact CG-CB 4.1Å; E173-V182 HydrophobicContact CG-CG1 3.93Å; E173-A185 HydrophobicContact CB-CB 3.81Å |
| 174 | Q | 92.6 | Very high | 90.7 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | -178.7 | -72 | 176.4 | 13.4 | 0 | 0 | 111.8 | E170 S177 | E170-Q174 WeakPolarHBondContact O-CB 3.27Å; E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.17Å; Q174-S177 WeakPolarHBondContact O-CB 3.22Å; Q174-S177 PolarHBondContact O-N 3.22Å |
| 175 | A | 91.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L171 E173 Q178 F221 L223 | L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.1Å; L171-A175 PolarHBondContact O-N 3.15Å; E173-A175 VanDerWaalsContact C-N 3.33Å; E173-A175 PolarHBondContact O-N 3.29Å; A175-Q178 WeakPolarHBondContact O-CG 3.5Å; A175-F221 HydrophobicContact CB-CE1 4.38Å; A175-F221 HydrophobicContact CB-CZ 4.03Å; A175-L223 HydrophobicContact CB-CD2 3.32Å |
| 176 | F | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -81.5 | -20.4 | 178.3 | -81.3 | -105.6 | 0 | 0 | 0 | 113.3 | V160 L172 E173 Q178 F179 V182 V201 F203 A212 F221 V230 V232 | V160-F176 HydrophobicContact CG1-CE2 4.37Å; V160-F176 HydrophobicContact CG1-CZ 4.01Å; V160-F176 HydrophobicContact CG2-CE1 4.03Å; V160-F176 HydrophobicContact CG2-CE2 4.18Å; V160-F176 HydrophobicContact CG2-CZ 3.61Å; L172-F176 HydrophobicContact CD1-CD2 3.8Å; L172-F176 HydrophobicContact CD1-CE2 3.56Å; L172-F176 HydrophobicContact CG-CD2 4.36Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å; L172-F176 PolarHBondContact O-N 3.3Å; L172-F176 VanDerWaalsContact O-N 3.09Å; E173-F176 PolarHBondContact O-N 3.02Å; F176-Q178 PolarHBondContact O-N 3.49Å; F176-Q178 VanDerWaalsContact O-N 3.13Å; F176-F179 HydrophobicContact CB-CD2 4.39Å; F176-F179 AromaticContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CE2 4.1Å; F176-F179 HydrophobicContact CE1-CE2 4.38Å; F176-F179 HydrophobicContact CG-CD2 4.34Å; F176-F179 HydrophobicContact CG-CE2 4.42Å; F176-F179 WeakPolarHBondContact O-CB 3.17Å; F176-F179 WeakPolarHBondContact O-CD2 3.44Å; F176-F179 PolarHBondContact O-N 3.3Å; F176-V182 HydrophobicContact CB-CG2 3.94Å; F176-V201 HydrophobicContact CB-CG1 3.88Å; F176-V201 HydrophobicContact CB-CG2 4.46Å; F176-V201 HydrophobicContact CD1-CB 4.34Å; F176-V201 HydrophobicContact CD1-CG1 4.09Å; F176-V201 HydrophobicContact CD1-CG2 4.15Å; F176-V201 HydrophobicContact CD2-CG2 4.18Å; F176-V201 HydrophobicContact CE1-CG2 4.47Å; F176-V201 HydrophobicContact CG-CG1 4.09Å; F176-V201 HydrophobicContact CG-CG2 4Å; F176-F203 HydrophobicContact CB-CZ 3.98Å; F176-F203 HydrophobicContact CD1-CE2 4.15Å; F176-F203 AromaticContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CG-CZ 4.48Å; F176-F203 WeakPolarHBondContact O-CE1 3.46Å; F176-A212 HydrophobicContact CD1-CB 4.33Å; F176-A212 HydrophobicContact CE1-CB 4.48Å; F176-F221 HydrophobicContact CD2-CE1 4.17Å; F176-F221 HydrophobicContact CE2-CD1 4.36Å; F176-F221 AromaticContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CZ-CD1 4.36Å; F176-F221 HydrophobicContact CZ-CE1 4.19Å; F176-V230 HydrophobicContact CZ-CG2 4.36Å; F176-V232 HydrophobicContact CE1-CG1 4.45Å; F176-V232 HydrophobicContact CE1-CG2 3.84Å; F176-V232 HydrophobicContact CZ-CG2 3.7Å |
| 177 | S | 93 | Very high | 90.9 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.9 | -27.5 | 173.8 | -166.9 | 0 | 0 | 0 | 0 | 113.2 | E173 Q174 F179 G180 | E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 2.84Å; Q174-S177 WeakPolarHBondContact O-CB 3.22Å; Q174-S177 PolarHBondContact O-N 3.22Å; S177-F179 PolarHBondContact O-N 2.81Å; S177-G180 WeakPolarHBondContact CA-O 3.18Å; S177-G180 PolarHBondContact O-N 2.75Å |
| 178 | Q | 91.8 | Very high | 90.9 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.4 | 173.9 | 82.6 | -175.1 | 14.7 | 0 | 0 | 113.7 | A175 F176 | A175-Q178 WeakPolarHBondContact O-CG 3.5Å; F176-Q178 PolarHBondContact O-N 3.49Å; F176-Q178 VanDerWaalsContact O-N 3.13Å |
| 179 | F | 91.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -34.6 | 179.1 | -57.2 | -64.3 | 0 | 0 | 0 | 111.3 | F176 S177 F203 K211 A212 R215 F221 | F176-F179 HydrophobicContact CB-CD2 4.39Å; F176-F179 AromaticContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CE2 4.1Å; F176-F179 HydrophobicContact CE1-CE2 4.38Å; F176-F179 HydrophobicContact CG-CD2 4.34Å; F176-F179 HydrophobicContact CG-CE2 4.42Å; F176-F179 WeakPolarHBondContact O-CB 3.17Å; F176-F179 WeakPolarHBondContact O-CD2 3.44Å; F176-F179 PolarHBondContact O-N 3.3Å; S177-F179 PolarHBondContact O-N 2.81Å; F179-F203 HydrophobicContact CB-CE1 4.15Å; F179-F203 HydrophobicContact CB-CZ 4.08Å; F179-F203 HydrophobicContact CD2-CZ 4.41Å; F179-K211 PolarHBondContact O-NZ 3.34Å; F179-K211 VanDerWaalsContact O-NZ 3.14Å; F179-A212 HydrophobicContact CB-CB 3.9Å; F179-A212 HydrophobicContact CD1-CB 4.28Å; F179-A212 HydrophobicContact CD2-CB 3.56Å; F179-A212 HydrophobicContact CE2-CB 4.09Å; F179-A212 HydrophobicContact CG-CB 3.65Å; F179-R215 HydrophobicContact CD1-CB 4.3Å; F179-R215 HydrophobicContact CD1-CG 4.37Å; F179-R215 HydrophobicContact CE1-CB 3.52Å; F179-R215 HydrophobicContact CE1-CG 3.92Å; F179-R215 HydrophobicContact CZ-CB 4.16Å; F179-F221 HydrophobicContact CE2-CD1 4.29Å; F179-F221 AromaticContact CE2-CE1 3.8Å; F179-F221 HydrophobicContact CE2-CE1 3.8Å; F179-F221 AromaticContact CE2-CZ 4Å; F179-F221 HydrophobicContact CE2-CZ 4Å; F179-F221 HydrophobicContact CZ-CD1 4.31Å; F179-F221 HydrophobicContact CZ-CD2 4.48Å; F179-F221 HydrophobicContact CZ-CE1 4.13Å; F179-F221 HydrophobicContact CZ-CE2 4.34Å; F179-F221 HydrophobicContact CZ-CG 4.49Å; F179-F221 HydrophobicContact CZ-CZ 4.15Å |
| 180 | G | 90.2 | Very high | 90.7 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 165.5 | -173.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S177 V182 F203 | S177-G180 WeakPolarHBondContact CA-O 3.18Å; S177-G180 PolarHBondContact O-N 2.75Å; G180-V182 PolarHBondContact O-N 3.01Å; G180-V182 VanDerWaalsContact O-N 3.09Å; G180-F203 WeakPolarHBondContact O-CE1 3.38Å |
| 181 | P | 90.6 | Very high | 90.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | trans | -62.7 | 112.6 | -175.5 | 25.1 | -34.4 | 0 | 0 | 0 | 112.2 | A204 | P181-A204 HydrophobicContact CB-CB 4.35Å; P181-A204 HydrophobicContact CG-CB 4.19Å; P181-A204 PolarHBondContact O-N 3.06Å | ||
| 182 | V | 91.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.1 | 171.2 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | K76 E173 F176 G180 K184 A185 V201 F203 | K76-V182 PolarHBondContact NZ-O 3.4Å; E173-V182 HydrophobicContact CG-CB 4.1Å; E173-V182 HydrophobicContact CG-CG1 3.93Å; F176-V182 HydrophobicContact CB-CG2 3.94Å; G180-V182 PolarHBondContact O-N 3.01Å; G180-V182 VanDerWaalsContact O-N 3.09Å; V182-K184 WeakPolarHBondContact CG1-O 3.49Å; V182-A185 HydrophobicContact CG1-CB 4.31Å; V182-V201 HydrophobicContact CG1-CG1 3.93Å; V182-V201 HydrophobicContact CG2-CG1 4.04Å; V182-F203 HydrophobicContact CG2-CD1 3.94Å; V182-F203 HydrophobicContact CG2-CE1 3.62Å; V182-F203 HydrophobicContact CG2-CZ 4.18Å |
| 183 | E | 87.4 | Confident | 90 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -41.4 | 169.7 | -74.1 | -175.3 | 167.1 | 0 | 0 | 110.8 | K76 T79 Q80 R123 H154 E202 A204 | K76-E183 WeakPolarHBondContact CD-O 3.46Å; K76-E183 PolarHBondContact NZ-O 3.37Å; T79-E183 WeakPolarHBondContact CA-OE1 3.37Å; T79-E183 WeakPolarHBondContact CA-OE2 3.2Å; T79-E183 VanDerWaalsContact CB-OE2 3.25Å; T79-E183 WeakPolarHBondContact CB-OE2 3.27Å; T79-E183 HydrophobicContact CG2-CB 3.82Å; T79-E183 HydrophobicContact CG2-CG 3.89Å; Q80-E183 WeakPolarHBondContact CB-OE2 3.12Å; Q80-E183 PolarHBondContact N-OE1 3.09Å; Q80-E183 PolarHBondContact N-OE2 3.25Å; R123-E183 IonicContact NH1-OE1 3.97Å; H154-E183 IonicContact NE2-OE2 2.81Å; E183-E202 PolarHBondContact N-O 2.85Å; E183-A204 VanDerWaalsContact CD-CA 3.47Å; E183-A204 HydrophobicContact CG-CB 3.7Å; E183-A204 WeakPolarHBondContact OE1-CA 3.42Å; E183-A204 WeakPolarHBondContact OE1-CB 3.27Å |
| 184 | K | 85.8 | Confident | 89.8 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 141.4 | -179.9 | -152.6 | 174.6 | -167.2 | 152.3 | 0 | 111.3 | E75 V182 V186 V201 E202 | E75-K184 IonicContact OE1-NZ 2.71Å; E75-K184 PolarHBondContact OE1-NZ 3.46Å; V182-K184 WeakPolarHBondContact CG1-O 3.49Å; K184-V186 HydrophobicContact CD-CG2 4.3Å; K184-V186 HydrophobicContact CG-CG2 4.08Å; K184-V201 WeakPolarHBondContact O-CA 3.29Å; K184-E202 HydrophobicContact CB-CB 4.12Å; K184-E202 VanDerWaalsContact CB-OE2 3.29Å; K184-E202 WeakPolarHBondContact CB-OE2 3.32Å; K184-E202 VanDerWaalsContact CD-OE2 3.29Å; K184-E202 WeakPolarHBondContact CD-OE2 3.49Å; K184-E202 PolarHBondContact N-O 2.95Å; K184-E202 PolarHBondContact O-N 3.37Å |
| 185 | A | 90.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L172 E173 V182 F200 V201 | L172-A185 HydrophobicContact CB-CB 4.18Å; L172-A185 HydrophobicContact CD2-CB 4.12Å; L172-A185 HydrophobicContact CG-CB 4.06Å; E173-A185 HydrophobicContact CB-CB 3.81Å; V182-A185 HydrophobicContact CG1-CB 4.31Å; A185-F200 WeakPolarHBondContact CA-O 3.29Å; A185-V201 HydrophobicContact CB-CG2 4.17Å |
| 186 | V | 90.2 | Very high | 89.3 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.9 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | K184 G199 F200 | K184-V186 HydrophobicContact CD-CG2 4.3Å; K184-V186 HydrophobicContact CG-CG2 4.08Å; V186-G199 CarbonylContact O-C 3.43Å; V186-G199 WeakPolarHBondContact O-CA 3.41Å; V186-F200 HydrophobicContact CB-CD1 4.39Å; V186-F200 HydrophobicContact CB-CD2 4.21Å; V186-F200 HydrophobicContact CB-CE1 3.86Å; V186-F200 HydrophobicContact CB-CE2 3.65Å; V186-F200 HydrophobicContact CB-CZ 3.46Å; V186-F200 VanDerWaalsContact CB-CZ 3.46Å; V186-F200 HydrophobicContact CG1-CE1 4.07Å; V186-F200 HydrophobicContact CG1-CZ 3.85Å; V186-F200 HydrophobicContact CG2-CD2 4.38Å; V186-F200 HydrophobicContact CG2-CE2 3.57Å; V186-F200 HydrophobicContact CG2-CZ 3.69Å; V186-F200 PolarHBondContact N-O 3.05Å; V186-F200 PolarHBondContact O-N 3.28Å |
| 187 | V | 91.5 | Very high | 89.1 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.2 | 167.9 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | L163 V167 L172 V189 A195 | L163-V187 HydrophobicContact CD1-CG1 4.29Å; L163-V187 HydrophobicContact CD1-CG2 4.12Å; V167-V187 HydrophobicContact CG1-CG2 4.32Å; L172-V187 HydrophobicContact CB-CG2 4.45Å; L172-V187 HydrophobicContact CD2-CG2 4.03Å; V187-V189 PolarHBondContact O-N 2.97Å; V187-A195 HydrophobicContact CG1-CB 3.86Å |
| 188 | V | 90.2 | Very high | 89 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.5 | 179 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | T196 K198 F200 | V188-T196 HydrophobicContact CG1-CG2 4.09Å; V188-T196 WeakPolarHBondContact O-CB 3.31Å; V188-T196 WeakPolarHBondContact O-CG2 3.39Å; V188-T196 PolarHBondContact O-N 2.6Å; V188-T196 PolarHBondContact O-OG1 2.72Å; V188-K198 HydrophobicContact CB-CB 4.4Å; V188-K198 PolarHBondContact N-O 2.84Å; V188-F200 HydrophobicContact CG2-CD1 4.01Å; V188-F200 HydrophobicContact CG2-CE1 4.04Å |
| 189 | V | 89.2 | Confident | 89 | Confident | 85 Ų | 85 | 60 Ų | 60 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.7 | 173.7 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | V187 R194 | V187-V189 PolarHBondContact O-N 2.97Å; V189-R194 CarbonylContact C-O 3.56Å; V189-R194 VanDerWaalsContact CA-O 3.3Å; V189-R194 WeakPolarHBondContact CA-O 3.25Å |
| 190 | D | 90.1 | Very high | 89 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 164 | 168.7 | -177.5 | 31.3 | 0 | 0 | 0 | 110 | R192 G193 R194 T196 | D190-R192 PolarHBondContact O-N 2.9Å; D190-G193 WeakPolarHBondContact O-CA 3.44Å; D190-G193 PolarHBondContact O-N 3.38Å; D190-R194 HydrophobicContact CB-CB 4.44Å; D190-R194 WeakPolarHBondContact CB-O 3.3Å; D190-R194 PolarHBondContact N-O 2.73Å; D190-R194 IonicContact OD2-CZ 3.82Å; D190-R194 IonicContact OD2-NE 3.37Å; D190-R194 PolarHBondContact OD2-NE 2.92Å; D190-R194 IonicContact OD2-NH2 3.72Å; D190-R194 PolarHBondContact OD2-NH2 2.69Å; D190-T196 HydrophobicContact CB-CG2 4.12Å |
| 191 | D | 87.2 | Confident | 89.1 | Confident | 171 Ų | 171 | 60.7 Ų | 60.7 | 91% | 0.914 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.1 | 176.3 | -68.2 | -89.3 | 0 | 0 | 0 | 113.1 | G193 | D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.19Å |
| 192 | R | 87.8 | Confident | 89 | Confident | 197 Ų | 197 | 57.4 Ų | 57.4 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 10.1 | 174.9 | -65.8 | -178.4 | 164.3 | -155.8 | -4.5 | 114.4 | D190 R194 | D190-R192 PolarHBondContact O-N 2.9Å; R192-R194 HydrophobicContact CB-CG 4.28Å; R192-R194 PolarHBondContact O-N 2.82Å |
| 193 | G | 84 | Confident | 89 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 57% | 0.567 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 68.4 | 11.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D190 D191 | D190-G193 WeakPolarHBondContact O-CA 3.44Å; D190-G193 PolarHBondContact O-N 3.38Å; D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.19Å |
| 194 | R | 86.7 | Confident | 89 | Confident | 146 Ų | 146 | 57.4 Ų | 57.4 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | trans | -90.7 | 133.9 | -178.1 | -61.2 | 179 | -60.1 | 165.4 | 5.7 | 110.3 | V189 D190 R192 T196 | V189-R194 CarbonylContact C-O 3.56Å; V189-R194 VanDerWaalsContact CA-O 3.3Å; V189-R194 WeakPolarHBondContact CA-O 3.25Å; D190-R194 HydrophobicContact CB-CB 4.44Å; D190-R194 WeakPolarHBondContact CB-O 3.3Å; D190-R194 PolarHBondContact N-O 2.73Å; D190-R194 IonicContact OD2-CZ 3.82Å; D190-R194 IonicContact OD2-NE 3.37Å; D190-R194 PolarHBondContact OD2-NE 2.92Å; D190-R194 IonicContact OD2-NH2 3.72Å; D190-R194 PolarHBondContact OD2-NH2 2.69Å; R192-R194 HydrophobicContact CB-CG 4.28Å; R192-R194 PolarHBondContact O-N 2.82Å; R194-T196 PolarHBondContact O-N 2.93Å | ||
| 195 | A | 86.7 | Confident | 89.1 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 123.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P165 V187 G197 | P165-A195 HydrophobicContact CB-CB 4.37Å; V187-A195 HydrophobicContact CG1-CB 3.86Å; A195-G197 PolarHBondContact O-N 2.71Å |
| 196 | T | 87.6 | Confident | 89 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -1.7 | -178.2 | 59.9 | 0 | 0 | 0 | 0 | 114 | V188 D190 R194 K198 | V188-T196 HydrophobicContact CG1-CG2 4.09Å; V188-T196 WeakPolarHBondContact O-CB 3.31Å; V188-T196 WeakPolarHBondContact O-CG2 3.39Å; V188-T196 PolarHBondContact O-N 2.6Å; V188-T196 PolarHBondContact O-OG1 2.72Å; D190-T196 HydrophobicContact CB-CG2 4.12Å; R194-T196 PolarHBondContact O-N 2.93Å; T196-K198 PolarHBondContact O-N 3.1Å; T196-K198 PolarHBondContact OG1-N 3.41Å |
| 197 | G | 87.5 | Confident | 89.1 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.6 | 5.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K161 N162 L163 A195 | K161-G197 CarbonylContact C-O 3.44Å; N162-G197 PolarHBondContact N-O 2.79Å; L163-G197 PolarHBondContact N-O 3.03Å; L163-G197 WeakPolarHBondContact O-CA 3.33Å; A195-G197 PolarHBondContact O-N 2.71Å |
| 198 | K | 91.1 | Very high | 89.1 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.1 | 172.7 | -57.8 | 178.1 | -177.2 | 176.2 | 0 | 110.5 | V160 V188 T196 | V160-K198 CarbonylContact O-C 3.45Å; V160-K198 WeakPolarHBondContact O-CA 3.45Å; V188-K198 HydrophobicContact CB-CB 4.4Å; V188-K198 PolarHBondContact N-O 2.84Å; T196-K198 PolarHBondContact O-N 3.1Å; T196-K198 PolarHBondContact OG1-N 3.41Å |
| 199 | G | 91.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V160 V186 | V160-G199 PolarHBondContact N-O 3.44Å; V160-G199 PolarHBondContact O-N 2.98Å; V186-G199 CarbonylContact O-C 3.43Å; V186-G199 WeakPolarHBondContact O-CA 3.41Å |
| 200 | F | 91.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.7 | 173 | 53 | -91.8 | 0 | 0 | 0 | 110.6 | L158 A185 V186 V188 M235 | L158-F200 CarbonylContact O-C 3.55Å; L158-F200 VanDerWaalsContact O-CA 3.27Å; L158-F200 WeakPolarHBondContact O-CA 3.37Å; A185-F200 WeakPolarHBondContact CA-O 3.29Å; V186-F200 HydrophobicContact CB-CD1 4.39Å; V186-F200 HydrophobicContact CB-CD2 4.21Å; V186-F200 HydrophobicContact CB-CE1 3.86Å; V186-F200 HydrophobicContact CB-CE2 3.65Å; V186-F200 HydrophobicContact CB-CZ 3.46Å; V186-F200 VanDerWaalsContact CB-CZ 3.46Å; V186-F200 HydrophobicContact CG1-CE1 4.07Å; V186-F200 HydrophobicContact CG1-CZ 3.85Å; V186-F200 HydrophobicContact CG2-CD2 4.38Å; V186-F200 HydrophobicContact CG2-CE2 3.57Å; V186-F200 HydrophobicContact CG2-CZ 3.69Å; V186-F200 PolarHBondContact N-O 3.05Å; V186-F200 PolarHBondContact O-N 3.28Å; V188-F200 HydrophobicContact CG2-CD1 4.01Å; V188-F200 HydrophobicContact CG2-CE1 4.04Å; F200-M235 HydrophobicContact CB-CE 4.39Å; F200-M235 HydrophobicContact CB-SD 4.39Å |
| 201 | V | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.1 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | L158 V160 L172 F176 V182 K184 A185 F203 | L158-V201 PolarHBondContact N-O 2.87Å; L158-V201 PolarHBondContact O-N 3.33Å; V160-V201 HydrophobicContact CG2-CG2 3.79Å; L172-V201 HydrophobicContact CD1-CG2 4.3Å; L172-V201 HydrophobicContact CD2-CG2 3.88Å; L172-V201 HydrophobicContact CG-CG2 3.84Å; F176-V201 HydrophobicContact CB-CG1 3.88Å; F176-V201 HydrophobicContact CB-CG2 4.46Å; F176-V201 HydrophobicContact CD1-CB 4.34Å; F176-V201 HydrophobicContact CD1-CG1 4.09Å; F176-V201 HydrophobicContact CD1-CG2 4.15Å; F176-V201 HydrophobicContact CD2-CG2 4.18Å; F176-V201 HydrophobicContact CE1-CG2 4.47Å; F176-V201 HydrophobicContact CG-CG1 4.09Å; F176-V201 HydrophobicContact CG-CG2 4Å; V182-V201 HydrophobicContact CG1-CG1 3.93Å; V182-V201 HydrophobicContact CG2-CG1 4.04Å; K184-V201 WeakPolarHBondContact O-CA 3.29Å; A185-V201 HydrophobicContact CB-CG2 4.17Å; V201-F203 HydrophobicContact CG1-CD2 4.1Å; V201-F203 HydrophobicContact CG1-CE2 3.72Å; V201-F203 HydrophobicContact CG1-CZ 4.1Å |
| 202 | E | 89.8 | Confident | 89.5 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.5 | 178.4 | -71.5 | 172 | 129.1 | 0 | 0 | 108.1 | R81 A157 E183 K184 | R81-E202 WeakPolarHBondContact CD-OE1 3.43Å; R81-E202 WeakPolarHBondContact CD-OE2 3.44Å; R81-E202 IonicContact CZ-OE1 2.93Å; R81-E202 IonicContact CZ-OE2 3.67Å; R81-E202 IonicContact NE-OE1 2.72Å; R81-E202 IonicContact NE-OE2 2.69Å; R81-E202 IonicContact NH1-OE1 2.6Å; R81-E202 PolarHBondContact NH1-OE1 3Å; R81-E202 IonicContact NH1-OE2 3.41Å; R81-E202 PolarHBondContact NH1-OE2 3.43Å; A157-E202 HydrophobicContact CB-CG 4.1Å; E183-E202 PolarHBondContact N-O 2.85Å; K184-E202 HydrophobicContact CB-CB 4.12Å; K184-E202 VanDerWaalsContact CB-OE2 3.29Å; K184-E202 WeakPolarHBondContact CB-OE2 3.32Å; K184-E202 VanDerWaalsContact CD-OE2 3.29Å; K184-E202 WeakPolarHBondContact CD-OE2 3.49Å; K184-E202 PolarHBondContact N-O 2.95Å; K184-E202 PolarHBondContact O-N 3.37Å |
| 203 | F | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 148 | 174.8 | -73.8 | -86.6 | 0 | 0 | 0 | 111.7 | H154 A156 L158 F176 F179 G180 V182 V201 A205 P208 A209 A212 | H154-F203 PolarHBondContact CE1-O 3.1Å; A156-F203 HydrophobicContact CB-CB 4.28Å; A156-F203 VanDerWaalsContact CB-O 3.26Å; A156-F203 WeakPolarHBondContact CB-O 3.47Å; A156-F203 PolarHBondContact O-N 3.19Å; L158-F203 HydrophobicContact CD1-CD2 4.25Å; L158-F203 HydrophobicContact CD1-CE2 3.8Å; F176-F203 HydrophobicContact CB-CZ 3.98Å; F176-F203 HydrophobicContact CD1-CE2 4.15Å; F176-F203 AromaticContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CG-CZ 4.48Å; F176-F203 WeakPolarHBondContact O-CE1 3.46Å; F179-F203 HydrophobicContact CB-CE1 4.15Å; F179-F203 HydrophobicContact CB-CZ 4.08Å; F179-F203 HydrophobicContact CD2-CZ 4.41Å; G180-F203 WeakPolarHBondContact O-CE1 3.38Å; V182-F203 HydrophobicContact CG2-CD1 3.94Å; V182-F203 HydrophobicContact CG2-CE1 3.62Å; V182-F203 HydrophobicContact CG2-CZ 4.18Å; V201-F203 HydrophobicContact CG1-CD2 4.1Å; V201-F203 HydrophobicContact CG1-CE2 3.72Å; V201-F203 HydrophobicContact CG1-CZ 4.1Å; F203-A205 PolarHBondContact O-N 3.19Å; F203-A205 VanDerWaalsContact O-N 3.09Å; F203-P208 HydrophobicContact CB-CB 4.22Å; F203-P208 HydrophobicContact CD1-CB 3.53Å; F203-P208 HydrophobicContact CE1-CB 4.02Å; F203-P208 HydrophobicContact CG-CB 3.98Å; F203-A209 HydrophobicContact CB-CB 4.27Å; F203-A209 HydrophobicContact CD2-CB 3.8Å; F203-A209 HydrophobicContact CG-CB 4.31Å; F203-A212 HydrophobicContact CE2-CB 3.95Å; F203-A212 HydrophobicContact CZ-CB 3.91Å |
| 204 | A | 87.4 | Confident | 90 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -62 | -21.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q80 P181 E183 | Q80-A204 PolarHBondContact NE2-O 3.13Å; P181-A204 HydrophobicContact CB-CB 4.35Å; P181-A204 HydrophobicContact CG-CB 4.19Å; P181-A204 PolarHBondContact O-N 3.06Å; E183-A204 VanDerWaalsContact CD-CA 3.47Å; E183-A204 HydrophobicContact CG-CB 3.7Å; E183-A204 WeakPolarHBondContact OE1-CA 3.42Å; E183-A204 WeakPolarHBondContact OE1-CB 3.27Å |
| 205 | A | 86.8 | Confident | 90.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -146.8 | 154.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A156 F203 P208 | A156-A205 VanDerWaalsContact CB-C 3.49Å; A156-A205 WeakPolarHBondContact CB-O 3.17Å; F203-A205 PolarHBondContact O-N 3.19Å; F203-A205 VanDerWaalsContact O-N 3.09Å; A205-P208 HydrophobicContact CB-CG 4.5Å; A205-P208 VanDerWaalsContact O-CD 3.32Å; A205-P208 WeakPolarHBondContact O-CD 3.41Å |
| 206 | K | 88.5 | Confident | 90.3 | Very high | 148 Ų | 148 | 55.1 Ų | 55.1 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.5 | -35.2 | -180 | -167.9 | 166.6 | -171.2 | 174 | 0 | 115.2 | G155 A209 R210 | G155-K206 WeakPolarHBondContact O-CG 3.5Å; K206-A209 PolarHBondContact O-N 3.21Å; K206-R210 PolarHBondContact O-N 2.97Å |
| 207 | P | 91.5 | Very high | 90.1 | Very high | 85 Ų | 85 | 55 Ų | 55 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | -179.4 | -19.4 | 31.4 | 0 | 0 | 0 | 114.5 | A209 R210 K211 | P207-A209 VanDerWaalsContact C-N 3.33Å; P207-A209 PolarHBondContact O-N 2.59Å; P207-R210 PolarHBondContact O-N 3.4Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.39Å |
| 208 | P | 92.3 | Very high | 90 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.5 | -45.8 | 167.4 | -31.3 | 36.4 | 0 | 0 | 0 | 114 | F203 A205 R210 K211 A212 | F203-P208 HydrophobicContact CB-CB 4.22Å; F203-P208 HydrophobicContact CD1-CB 3.53Å; F203-P208 HydrophobicContact CE1-CB 4.02Å; F203-P208 HydrophobicContact CG-CB 3.98Å; A205-P208 HydrophobicContact CB-CG 4.5Å; A205-P208 VanDerWaalsContact O-CD 3.32Å; A205-P208 WeakPolarHBondContact O-CD 3.41Å; P208-R210 PolarHBondContact O-N 2.94Å; P208-K211 PolarHBondContact O-N 2.82Å; P208-A212 PolarHBondContact O-N 3.3Å |
| 209 | A | 91.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A156 L158 F203 K206 P207 A212 L213 | A156-A209 HydrophobicContact CB-CB 4.1Å; L158-A209 HydrophobicContact CD1-CB 4.26Å; L158-A209 WeakPolarHBondContact CD1-O 3.48Å; L158-A209 HydrophobicContact CD2-CB 4.25Å; L158-A209 HydrophobicContact CG-CB 4.19Å; F203-A209 HydrophobicContact CB-CB 4.27Å; F203-A209 HydrophobicContact CD2-CB 3.8Å; F203-A209 HydrophobicContact CG-CB 4.31Å; K206-A209 PolarHBondContact O-N 3.21Å; P207-A209 VanDerWaalsContact C-N 3.33Å; P207-A209 PolarHBondContact O-N 2.59Å; A209-A212 PolarHBondContact O-N 2.86Å; A209-L213 PolarHBondContact O-N 2.78Å |
| 210 | R | 91.3 | Very high | 89.2 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 175.2 | -167.6 | -178.7 | 72.5 | -147.9 | -2.9 | 111.9 | K206 P207 P208 A212 L213 E214 | K206-R210 PolarHBondContact O-N 2.97Å; P207-R210 PolarHBondContact O-N 3.4Å; P208-R210 PolarHBondContact O-N 2.94Å; R210-A212 VanDerWaalsContact C-N 3.31Å; R210-A212 PolarHBondContact O-N 2.81Å; R210-L213 WeakPolarHBondContact O-CB 3.39Å; R210-L213 PolarHBondContact O-N 2.9Å; R210-L213 VanDerWaalsContact O-N 3.16Å; R210-E214 HydrophobicContact CG-CG 4.31Å; R210-E214 IonicContact NE-OE1 3.95Å; R210-E214 PolarHBondContact NE-OE1 3.28Å; R210-E214 IonicContact NE-OE2 3.81Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 2.87Å |
| 211 | K | 91.8 | Very high | 89.1 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 39% | 0.391 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177.3 | 179.3 | -173.6 | 166.6 | -158.9 | 0 | 112 | F179 P207 P208 R215 | F179-K211 PolarHBondContact O-NZ 3.34Å; F179-K211 VanDerWaalsContact O-NZ 3.14Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.39Å; P208-K211 PolarHBondContact O-N 2.82Å; K211-R215 VanDerWaalsContact O-CB 3.23Å; K211-R215 WeakPolarHBondContact O-CB 3.42Å; K211-R215 WeakPolarHBondContact O-CG 3.42Å; K211-R215 PolarHBondContact O-N 2.92Å |
| 212 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 F176 F179 F203 P208 A209 R210 R215 C216 | L158-A212 HydrophobicContact CD1-CB 3.84Å; F176-A212 HydrophobicContact CD1-CB 4.33Å; F176-A212 HydrophobicContact CE1-CB 4.48Å; F179-A212 HydrophobicContact CB-CB 3.9Å; F179-A212 HydrophobicContact CD1-CB 4.28Å; F179-A212 HydrophobicContact CD2-CB 3.56Å; F179-A212 HydrophobicContact CE2-CB 4.09Å; F179-A212 HydrophobicContact CG-CB 3.65Å; F203-A212 HydrophobicContact CE2-CB 3.95Å; F203-A212 HydrophobicContact CZ-CB 3.91Å; P208-A212 PolarHBondContact O-N 3.3Å; A209-A212 PolarHBondContact O-N 2.86Å; R210-A212 VanDerWaalsContact C-N 3.31Å; R210-A212 PolarHBondContact O-N 2.81Å; A212-R215 PolarHBondContact O-N 3.26Å; A212-C216 VanDerWaalsContact O-CB 3.3Å; A212-C216 WeakPolarHBondContact O-CB 3.42Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.46Å |
| 213 | L | 91.5 | Very high | 88.9 | Confident | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 176.9 | -172.5 | 71 | 0 | 0 | 0 | 112.1 | A209 R210 G217 V232 P234 | A209-L213 PolarHBondContact O-N 2.78Å; R210-L213 WeakPolarHBondContact O-CB 3.39Å; R210-L213 PolarHBondContact O-N 2.9Å; R210-L213 VanDerWaalsContact O-N 3.16Å; L213-G217 PolarHBondContact O-N 2.95Å; L213-V232 HydrophobicContact CD1-CG1 4.13Å; L213-V232 VanDerWaalsContact CD1-O 3.25Å; L213-V232 WeakPolarHBondContact CD1-O 3.23Å; L213-P234 HydrophobicContact CD1-CG 4.39Å; L213-P234 HydrophobicContact CD2-CG 3.95Å |
| 214 | E | 90.8 | Very high | 88.8 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 176.3 | -70 | 162.9 | 160.3 | 0 | 0 | 110.6 | R210 C216 G217 D218 | R210-E214 HydrophobicContact CG-CG 4.31Å; R210-E214 IonicContact NE-OE1 3.95Å; R210-E214 PolarHBondContact NE-OE1 3.28Å; R210-E214 IonicContact NE-OE2 3.81Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 2.87Å; E214-C216 PolarHBondContact O-N 3.41Å; E214-G217 PolarHBondContact O-N 3.11Å; E214-D218 WeakPolarHBondContact O-CB 3.34Å; E214-D218 PolarHBondContact O-N 2.74Å |
| 215 | R | 89.9 | Confident | 88.8 | Confident | 174 Ų | 174 | 72.4 Ų | 72.4 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67 | -34 | -177.1 | -75.1 | -72.4 | -173.9 | 153.7 | 0.1 | 114.8 | F179 K211 A212 G219 | F179-R215 HydrophobicContact CD1-CB 4.3Å; F179-R215 HydrophobicContact CD1-CG 4.37Å; F179-R215 HydrophobicContact CE1-CB 3.52Å; F179-R215 HydrophobicContact CE1-CG 3.92Å; F179-R215 HydrophobicContact CZ-CB 4.16Å; K211-R215 VanDerWaalsContact O-CB 3.23Å; K211-R215 WeakPolarHBondContact O-CB 3.42Å; K211-R215 WeakPolarHBondContact O-CG 3.42Å; K211-R215 PolarHBondContact O-N 2.92Å; A212-R215 PolarHBondContact O-N 3.26Å; R215-G219 PolarHBondContact O-N 2.75Å |
| 216 | C | 88.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -89.6 | -14 | 178.1 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | A212 E214 F221 V232 | A212-C216 VanDerWaalsContact O-CB 3.3Å; A212-C216 WeakPolarHBondContact O-CB 3.42Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.46Å; E214-C216 PolarHBondContact O-N 3.41Å; C216-F221 HydrophobicContact CB-CB 4.31Å; C216-F221 WeakPolarHBondContact SG-CD1 3.05Å; C216-V232 HydrophobicContact CB-CB 3.83Å; C216-V232 HydrophobicContact CB-CG2 3.44Å; C216-V232 VanDerWaalsContact CB-CG2 3.44Å |
| 217 | G | 84.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 72 Ų | 72 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -81.5 | -47.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L213 E214 | L213-G217 PolarHBondContact O-N 2.95Å; E214-G217 PolarHBondContact O-N 3.11Å |
| 218 | D | 84.8 | Confident | 88.5 | Confident | 158 Ų | 158 | 73.7 Ų | 73.7 | 85% | 0.845 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -79.4 | -16.9 | -179 | -67.6 | -26 | 0 | 0 | 0 | 113.5 | E214 | E214-D218 WeakPolarHBondContact O-CB 3.34Å; E214-D218 PolarHBondContact O-N 2.74Å |
| 219 | G | 81.1 | Confident | 88.4 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 36% | 0.361 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -137.3 | 150 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R215 F221 | R215-G219 PolarHBondContact O-N 2.75Å; G219-F221 PolarHBondContact O-N 3.47Å |
| 220 | A | 85.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 65% | 0.653 | 41% | 0.414 | S | S | * | . | trans | -73.6 | 88.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L222 P229 | A220-L222 PolarHBondContact O-N 2.96Å; A220-P229 HydrophobicContact CB-CB 4.13Å | ||
| 221 | F | 89 | Confident | 88.4 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 13% | 0.132 | 41% | 0.407 | C | S | . | . | trans | -78.8 | 114.5 | 175.5 | -170.7 | -132 | 0 | 0 | 0 | 110.8 | A175 F176 F179 C216 G219 L223 P229 V230 | A175-F221 HydrophobicContact CB-CE1 4.38Å; A175-F221 HydrophobicContact CB-CZ 4.03Å; F176-F221 HydrophobicContact CD2-CE1 4.17Å; F176-F221 HydrophobicContact CE2-CD1 4.36Å; F176-F221 AromaticContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CZ-CD1 4.36Å; F176-F221 HydrophobicContact CZ-CE1 4.19Å; F179-F221 HydrophobicContact CE2-CD1 4.29Å; F179-F221 AromaticContact CE2-CE1 3.8Å; F179-F221 HydrophobicContact CE2-CE1 3.8Å; F179-F221 AromaticContact CE2-CZ 4Å; F179-F221 HydrophobicContact CE2-CZ 4Å; F179-F221 HydrophobicContact CZ-CD1 4.31Å; F179-F221 HydrophobicContact CZ-CD2 4.48Å; F179-F221 HydrophobicContact CZ-CE1 4.13Å; F179-F221 HydrophobicContact CZ-CE2 4.34Å; F179-F221 HydrophobicContact CZ-CG 4.49Å; F179-F221 HydrophobicContact CZ-CZ 4.15Å; C216-F221 HydrophobicContact CB-CB 4.31Å; C216-F221 WeakPolarHBondContact SG-CD1 3.05Å; G219-F221 PolarHBondContact O-N 3.47Å; F221-L223 HydrophobicContact CD1-CD2 4.24Å; F221-L223 HydrophobicContact CE1-CD2 3.64Å; F221-L223 HydrophobicContact CZ-CD2 3.93Å; F221-P229 WeakPolarHBondContact O-CA 3.41Å; F221-V230 HydrophobicContact CB-CG2 4.12Å; F221-V230 HydrophobicContact CD1-CG2 3.59Å; F221-V230 HydrophobicContact CG-CG2 4.28Å; F221-V230 PolarHBondContact O-N 2.82Å | ||
| 222 | L | 90.6 | Very high | 88.5 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 128.3 | -176.2 | -58.5 | -179.7 | 0 | 0 | 0 | 110.5 | A220 R228 P229 | A220-L222 PolarHBondContact O-N 2.96Å; L222-R228 VanDerWaalsContact CD2-C 3.42Å; L222-R228 WeakPolarHBondContact CD2-O 3.35Å; L222-P229 HydrophobicContact CD2-CB 4.43Å |
| 223 | L | 88.2 | Confident | 88.4 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 13% | 0.126 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -95.1 | -11.6 | 175.9 | -60.7 | -173.2 | 0 | 0 | 0 | 114 | L163 V167 L172 A175 F221 V230 | L163-L223 HydrophobicContact CD2-CD1 3.65Å; V167-L223 HydrophobicContact CG1-CD1 3.87Å; V167-L223 HydrophobicContact CG2-CB 4.05Å; V167-L223 HydrophobicContact CG2-CD1 4.04Å; L172-L223 HydrophobicContact CD1-CD1 3.85Å; A175-L223 HydrophobicContact CB-CD2 3.32Å; F221-L223 HydrophobicContact CD1-CD2 4.24Å; F221-L223 HydrophobicContact CE1-CD2 3.64Å; F221-L223 HydrophobicContact CZ-CD2 3.93Å; L223-V230 HydrophobicContact CD1-CG1 3.76Å; L223-V230 HydrophobicContact CG-CG1 3.73Å |
| 224 | T | 88.9 | Confident | 88.3 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.19 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -146.5 | 165.4 | -169.5 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | V166 V167 T226 | V166-T224 HydrophobicContact CG2-CG2 3.72Å; V167-T224 HydrophobicContact CG2-CG2 3.85Å; T224-T226 PolarHBondContact O-N 2.99Å; T224-T226 VanDerWaalsContact O-N 3.17Å; T224-T226 VanDerWaalsContact O-O 3.14Å; T224-T226 PolarHBondContact OG1-O 3.49Å; T224-T226 PolarHBondContact OG1-OG1 3.39Å |
| 225 | T | 88.1 | Confident | 88 | Confident | 153 Ų | 153 | 72 Ų | 72 | 94% | 0.939 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -59.1 | -24.8 | 176.5 | -33.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 226 | T | 85.9 | Confident | 87.2 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -75 | 133.8 | 173.3 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | T224 R228 | T224-T226 PolarHBondContact O-N 2.99Å; T224-T226 VanDerWaalsContact O-N 3.17Å; T224-T226 VanDerWaalsContact O-O 3.14Å; T224-T226 PolarHBondContact OG1-O 3.49Å; T224-T226 PolarHBondContact OG1-OG1 3.39Å; T226-R228 PolarHBondContact O-N 2.96Å |
| 227 | P | 87.3 | Confident | 86.3 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | trans | -75.1 | 65.8 | -178.1 | 32.4 | -36.8 | 0 | 0 | 0 | 111.7 | ||||
| 228 | R | 86.3 | Confident | 85.1 | Confident | 122 Ų | 122 | 78.3 Ų | 78.3 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | trans | -108.5 | 99.5 | 174.5 | -70.7 | -171.8 | 172.8 | -162.8 | -1.3 | 109 | L222 T226 V230 | L222-R228 VanDerWaalsContact CD2-C 3.42Å; L222-R228 WeakPolarHBondContact CD2-O 3.35Å; T226-R228 PolarHBondContact O-N 2.96Å; R228-V230 PolarHBondContact O-N 2.94Å | ||
| 229 | P | 89.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 130.3 | 175 | 27.9 | -33.2 | 0 | 0 | 0 | 109.7 | N162 A220 F221 L222 | N162-P229 PolarHBondContact ND2-O 3.17Å; A220-P229 HydrophobicContact CB-CB 4.13Å; F221-P229 WeakPolarHBondContact O-CA 3.41Å; L222-P229 HydrophobicContact CD2-CB 4.43Å |
| 230 | V | 92.3 | Very high | 82.9 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.036 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 138.8 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | V160 L163 F176 F221 L223 R228 V232 | V160-V230 HydrophobicContact CG1-CB 3.83Å; V160-V230 HydrophobicContact CG1-CG1 4.47Å; V160-V230 HydrophobicContact CG1-CG2 4.14Å; L163-V230 HydrophobicContact CD2-CB 4.42Å; L163-V230 HydrophobicContact CD2-CG1 3.76Å; F176-V230 HydrophobicContact CZ-CG2 4.36Å; F221-V230 HydrophobicContact CB-CG2 4.12Å; F221-V230 HydrophobicContact CD1-CG2 3.59Å; F221-V230 HydrophobicContact CG-CG2 4.28Å; F221-V230 PolarHBondContact O-N 2.82Å; L223-V230 HydrophobicContact CD1-CG1 3.76Å; L223-V230 HydrophobicContact CG-CG1 3.73Å; R228-V230 PolarHBondContact O-N 2.94Å; V230-V232 HydrophobicContact CG2-CG2 4.3Å |
| 231 | I | 91.7 | Very high | 81.5 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.8 | 178.7 | -61.2 | 169.8 | 0 | 0 | 0 | 106.7 | V160 K161 N162 E233 | V160-I231 CarbonylContact C-O 3.54Å; V160-I231 WeakPolarHBondContact CA-O 3.46Å; K161-I231 HydrophobicContact CB-CB 4.21Å; K161-I231 PolarHBondContact N-O 2.84Å; K161-I231 PolarHBondContact O-N 2.78Å; N162-I231 HydrophobicContact CB-CD1 4.22Å; N162-I231 HydrophobicContact CB-CG1 4.31Å; I231-E233 HydrophobicContact CG2-CG 4.37Å |
| 232 | V | 92.6 | Very high | 80 | Confident | 12 Ų | 12 | 83 Ų | 83 | 7% | 0.073 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 179.9 | -177 | 0 | 0 | 0 | 0 | 108.8 | L158 T159 V160 F176 L213 C216 V230 | L158-V232 HydrophobicContact CB-CG1 3.95Å; L158-V232 HydrophobicContact CD1-CG1 3.6Å; L158-V232 HydrophobicContact CG-CG1 4.24Å; T159-V232 WeakPolarHBondContact O-CA 3.4Å; V160-V232 HydrophobicContact CG1-CG2 4.34Å; V160-V232 HydrophobicContact CG2-CG2 4.42Å; F176-V232 HydrophobicContact CE1-CG1 4.45Å; F176-V232 HydrophobicContact CE1-CG2 3.84Å; F176-V232 HydrophobicContact CZ-CG2 3.7Å; L213-V232 HydrophobicContact CD1-CG1 4.13Å; L213-V232 VanDerWaalsContact CD1-O 3.25Å; L213-V232 WeakPolarHBondContact CD1-O 3.23Å; C216-V232 HydrophobicContact CB-CB 3.83Å; C216-V232 HydrophobicContact CB-CG2 3.44Å; C216-V232 VanDerWaalsContact CB-CG2 3.44Å; V230-V232 HydrophobicContact CG2-CG2 4.3Å |
| 233 | E | 90.9 | Very high | 78.6 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.8 | 178.3 | -69.1 | 171.3 | -159.2 | 0 | 0 | 109.4 | L158 T159 K161 I231 M235 | L158-E233 CarbonylContact C-O 3.57Å; L158-E233 VanDerWaalsContact CA-O 3.31Å; L158-E233 WeakPolarHBondContact CA-O 3.38Å; T159-E233 PolarHBondContact N-O 3.41Å; T159-E233 PolarHBondContact O-N 3.44Å; K161-E233 WeakPolarHBondContact CE-OE1 3.41Å; K161-E233 WeakPolarHBondContact CE-OE2 3.3Å; K161-E233 IonicContact NZ-OE1 3.48Å; K161-E233 PolarHBondContact NZ-OE1 3.3Å; K161-E233 IonicContact NZ-OE2 2.77Å; K161-E233 PolarHBondContact NZ-OE2 3.4Å; I231-E233 HydrophobicContact CG2-CG 4.37Å; E233-M235 PolarHBondContact O-N 3.26Å |
| 234 | P | 88.9 | Confident | 76.9 | Confident | 83 Ų | 83 | 89 Ų | 89 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 139.3 | 166.5 | -18.4 | 32.2 | 0 | 0 | 0 | 110.1 | L213 E236 | L213-P234 HydrophobicContact CD1-CG 4.39Å; L213-P234 HydrophobicContact CD2-CG 3.95Å; P234-E236 PolarHBondContact O-N 2.74Å |
| 235 | M | 82.9 | Confident | 75.6 | Confident | 68 Ų | 68 | 92.2 Ų | 92.2 | 34% | 0.335 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 117.7 | 172.5 | -168.5 | 175.3 | -163.7 | 0 | 0 | 109.3 | A157 F200 E233 Q237 | A157-M235 HydrophobicContact CB-CB 3.78Å; A157-M235 HydrophobicContact CB-CG 4.39Å; A157-M235 HydrophobicContact CB-SD 3.82Å; A157-M235 WeakPolarHBondContact O-CB 3.41Å; A157-M235 PolarHBondContact O-N 3.21Å; F200-M235 HydrophobicContact CB-CE 4.39Å; F200-M235 HydrophobicContact CB-SD 4.39Å; E233-M235 PolarHBondContact O-N 3.26Å; M235-Q237 PolarHBondContact O-N 3.38Å |
| 236 | E | 75.1 | Confident | 74.2 | Confident | 148 Ų | 148 | 94.1 Ų | 94.1 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 120.2 | 165.9 | -71.3 | -174 | 142.3 | 0 | 0 | 108.8 | P234 F238 | P234-E236 PolarHBondContact O-N 2.74Å; E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE2 3.66Å; E236-F238 HydrophobicContact CB-CZ 4.03Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.48Å |
| 237 | Q | 67.6 | Low | 72.3 | Confident | 87 Ų | 87 | 101 Ų | 101 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | trans | -89.2 | 107.9 | 170.1 | -106.9 | 145.7 | 58.8 | 0 | 0 | 108.2 | T153 H154 M235 | T153-Q237 VanDerWaalsContact C-OE1 3.29Å; T153-Q237 VanDerWaalsContact CB-OE1 3.27Å; H154-Q237 PolarHBondContact O-NE2 2.92Å; M235-Q237 PolarHBondContact O-N 3.38Å | ||
| 238 | F | 60.2 | Low | 70.1 | Confident | 143 Ų | 143 | 107.1 Ų | 107.1 | 63% | 0.627 | 55% | 0.55 | S | S | * | . | trans | -81.5 | 121.9 | 164.4 | -62.8 | -84.1 | 0 | 0 | 0 | 107.6 | E236 D240 | E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE2 3.66Å; E236-F238 HydrophobicContact CB-CZ 4.03Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.48Å; F238-D240 VanDerWaalsContact C-N 3.33Å; F238-D240 PolarHBondContact O-N 3.23Å | ||
| 239 | D | 62.8 | Low | 69.3 | Low | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | trans | -88.8 | 79.2 | 172.4 | -169.9 | -16.1 | 0 | 0 | 0 | 108.1 | E241 D242 | D239-E241 PolarHBondContact O-N 2.87Å; D239-E241 PolarHBondContact OD1-N 2.96Å; D239-D242 PolarHBondContact OD1-N 2.83Å | ||
| 240 | D | 56.1 | Low | 68.3 | Low | 150 Ų | 150 | 109.1 Ų | 109.1 | 80% | 0.802 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -2.8 | 179 | -59.7 | -49.7 | 0 | 0 | 0 | 112.5 | F238 | F238-D240 VanDerWaalsContact C-N 3.33Å; F238-D240 PolarHBondContact O-N 3.23Å |
| 241 | E | 56.3 | Low | 66.9 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -44.6 | -178 | -68.8 | -147.4 | 87.1 | 0 | 0 | 113.7 | K134 D239 | K134-E241 IonicContact NZ-OE1 3.55Å; K134-E241 PolarHBondContact NZ-OE1 3.03Å; K134-E241 IonicContact NZ-OE2 3.12Å; K134-E241 PolarHBondContact NZ-OE2 3.04Å; D239-E241 PolarHBondContact O-N 2.87Å; D239-E241 PolarHBondContact OD1-N 2.96Å |
| 242 | D | 57.9 | Low | 65.5 | Low | 42 Ų | 42 | 116.6 Ų | 116.6 | 23% | 0.225 | 60% | 0.603 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -24 | -177.3 | -90.7 | -43 | 0 | 0 | 0 | 113.8 | R148 R150 D239 | R148-D242 IonicContact CZ-OD1 3.98Å; R148-D242 IonicContact CZ-OD2 2.73Å; R148-D242 IonicContact NE-OD1 2.69Å; R148-D242 IonicContact NE-OD2 3.8Å; R148-D242 IonicContact NH2-OD1 3.76Å; R148-D242 PolarHBondContact NH2-OD1 2.93Å; R148-D242 IonicContact NH2-OD2 3.35Å; R148-D242 PolarHBondContact NH2-OD2 2.96Å; R150-D242 WeakPolarHBondContact CD-OD2 3.33Å; R150-D242 IonicContact CZ-OD1 3.69Å; R150-D242 VanDerWaalsContact CZ-OD1 3.31Å; R150-D242 IonicContact CZ-OD2 3.74Å; R150-D242 IonicContact NE-OD1 2.92Å; R150-D242 PolarHBondContact NE-OD1 3.23Å; R150-D242 IonicContact NE-OD2 2.73Å; R150-D242 PolarHBondContact NE-OD2 2.79Å; R150-D242 IonicContact NH2-OD1 3.97Å; R150-D242 PolarHBondContact NH2-OD1 2.94Å; R150-D242 IonicContact NH2-OD2 3.91Å; D239-D242 PolarHBondContact OD1-N 2.83Å |
| 243 | G | 61.3 | Low | 63.8 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | trans | 55.3 | -154.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 244 | L | 51.3 | Low | 62 | Low | 175 Ų | 175 | 126.7 Ų | 126.7 | 92% | 0.916 | 66% | 0.657 | S | S | * | * | trans | -98.8 | 110.1 | 161.4 | -114.6 | 90 | 0 | 0 | 0 | 108.2 | E246 | L244-E246 PolarHBondContact O-N 3.45Š| ||
| 245 | P | 61.5 | Low | 60 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | trans | -65.9 | 130 | 167.5 | 26.8 | -32.6 | 0 | 0 | 0 | 109 | K247 | P245-K247 PolarHBondContact O-N 2.77Å; P245-K247 VanDerWaalsContact O-N 3.17Å | ||
| 246 | E | 59 | Low | 58.3 | Low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | trans | -58 | 122 | 168.8 | -77.3 | -169 | 123.2 | 0 | 0 | 108.8 | L244 L248 | L244-E246 PolarHBondContact O-N 3.45Å; E246-L248 PolarHBondContact O-N 3.48Å; E246-L248 VanDerWaalsContact O-N 3.15Å | ||
| 247 | K | 46.6 | Very low | 56.9 | Low | 210 Ų | 210 | 133.5 Ų | 133.5 | 91% | 0.913 | 69% | 0.691 | S | S | * | * | trans | -72.1 | 105.6 | 168.3 | -77.2 | -174.2 | 175.5 | -178.3 | 0 | 108 | P245 | P245-K247 PolarHBondContact O-N 2.77Å; P245-K247 VanDerWaalsContact O-N 3.17Å | ||
| 248 | L | 41.8 | Very low | 55.9 | Low | 241 Ų | 241 | 137.7 Ų | 137.7 | 100% | 1.262 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 0 | 163.3 | -143.6 | 78.9 | 0 | 0 | 0 | 110.6 | E246 | E246-L248 PolarHBondContact O-N 3.48Å; E246-L248 VanDerWaalsContact O-N 3.15Å |
Retrieved 248 of 248 residues in 94 ms
(Link to these results)