| 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 | 34.3 | Very low | 35.6 | Very low | 233 Ų | 233 | 168.6 Ų | 168.6 | 100% | 1.148 | 83% | 0.828 | S | S | * | * | 0 | 109.5 | 0 | -54.3 | 173.3 | -165.8 | 0 | 0 | 104.3 | |||||
| 2 | L | 36.6 | Very low | 35.3 | Very low | 142 Ų | 142 | 165.9 Ų | 165.9 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | cis | 50.6 | 139.9 | 41.3 | -76.1 | 86.7 | 0 | 0 | 0 | 111.2 | ||||
| 3 | W | 33.7 | Very low | 35.2 | Very low | 244 Ų | 244 | 166.9 Ų | 166.9 | 92% | 0.924 | 81% | 0.814 | S | S | * | * | cis | -106.3 | 165.3 | 19.8 | -54.6 | 8.1 | 0 | 0 | 0 | 111.8 | ||||
| 4 | K | 38.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 167 Ų | 167 | 73% | 0.73 | 82% | 0.82 | S | S | * | * | cis | 73.6 | 90.6 | 33.5 | -122.9 | -169.4 | -173.8 | -169 | 0 | 114.7 | ||||
| 5 | L | 43.8 | Very low | 34.8 | Very low | 181 Ų | 181 | 163.6 Ų | 163.6 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -93.3 | 157.7 | 143.1 | -98.1 | 70.1 | 0 | 0 | 0 | 108.1 | ||||
| 6 | A | 38 | Very low | 34.8 | Very low | 88 Ų | 88 | 166.3 Ų | 166.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -137.4 | 153 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 7 | D | 37.2 | Very low | 34.5 | Very low | 165 Ų | 165 | 165.5 Ų | 165.5 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -66.6 | 142.1 | 178.9 | -53.5 | -84.6 | 0 | 0 | 0 | 113.2 | ||||
| 8 | N | 34 | Very low | 34.4 | Very low | 154 Ų | 154 | 170.2 Ų | 170.2 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -168.3 | 141.5 | 171.6 | -129 | -4.2 | 0 | 0 | 0 | 106.2 | ||||
| 9 | V | 33.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 169.1 Ų | 169.1 | 66% | 0.661 | 82% | 0.82 | S | S | * | * | cis | -147.9 | 150.6 | 21.5 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | K | 31.3 | Very low | 34.7 | Very low | 150 Ų | 150 | 168.5 Ų | 168.5 | 65% | 0.652 | 82% | 0.82 | S | S | * | * | trans | 47.6 | 129.5 | 160.6 | -77.4 | 178.8 | 159.3 | -154 | 0 | 121.7 | E12 | K10-E12 VanDerWaalsContact CD-OE1 3.28Å; K10-E12 WeakPolarHBondContact CD-OE1 3.39Å; K10-E12 WeakPolarHBondContact CE-OE1 3.38Å; K10-E12 IonicContact NZ-OE1 3.43Å; K10-E12 PolarHBondContact NZ-OE1 2.68Å; K10-E12 IonicContact NZ-OE2 2.66Å; K10-E12 PolarHBondContact NZ-OE2 3.45Å | ||
| 11 | Y | 31.5 | Very low | 34.5 | Very low | 221 Ų | 221 | 163.8 Ų | 163.8 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | -82 | 149.3 | 128 | -82.5 | -112.5 | 0 | 0 | 0 | 108.7 | |||||
| 12 | E | 31.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -106.9 | 131.2 | 158.7 | -63.2 | -78 | 69.9 | 0 | 0 | 107.4 | K10 | K10-E12 VanDerWaalsContact CD-OE1 3.28Å; K10-E12 WeakPolarHBondContact CD-OE1 3.39Å; K10-E12 WeakPolarHBondContact CE-OE1 3.38Å; K10-E12 IonicContact NZ-OE1 3.43Å; K10-E12 PolarHBondContact NZ-OE1 2.68Å; K10-E12 IonicContact NZ-OE2 2.66Å; K10-E12 PolarHBondContact NZ-OE2 3.45Å | ||
| 13 | E | 33.7 | Very low | 34.2 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -117.5 | 105.4 | 165.9 | -83.1 | -171.9 | 121.2 | 0 | 0 | 108.4 | C15 | E13-C15 PolarHBondContact O-N 3.34Š| ||
| 14 | D | 31.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 107.7 | 171.1 | -81 | -47.2 | 0 | 0 | 0 | 110.1 | ||||
| 15 | C | 32.9 | Very low | 34 | Very low | 116 Ų | 116 | 151 Ų | 151 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -116.5 | 112.7 | 167.6 | -81.2 | 0 | 0 | 0 | 0 | 108.8 | E13 | E13-C15 PolarHBondContact O-N 3.34Š| ||
| 16 | E | 34.9 | Very low | 33.6 | Very low | 206 Ų | 206 | 149.8 Ų | 149.8 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -65.4 | 138.9 | 178.7 | -73.7 | -172.2 | 111.2 | 0 | 0 | 112.6 | ||||
| 17 | E | 30 | Very low | 33.9 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -90.8 | 140 | -173.7 | 179 | 179.2 | -160.3 | 0 | 0 | 112.3 | H19 | E17-H19 IonicContact OE1-CD2 3.81Å; E17-H19 PolarHBondContact OE1-CD2 3.39Å | ||
| 18 | R | 33.1 | Very low | 33.8 | Very low | 250 Ų | 250 | 154.9 Ų | 154.9 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -137.2 | 139.7 | 151.9 | -75.8 | -162.2 | 173.8 | 171.5 | 1 | 111 | ||||
| 19 | H | 37 | Very low | 33.8 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | trans | -98.6 | -177.5 | -164.2 | -142.7 | -90.7 | 0 | 0 | 0 | 112.3 | E17 | E17-H19 IonicContact OE1-CD2 3.81Å; E17-H19 PolarHBondContact OE1-CD2 3.39Å | ||
| 20 | D | 36.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 90.4 | 139.6 | 175.4 | -53.3 | -24.4 | 0 | 0 | 0 | 116.4 | ||||
| 21 | G | 31.6 | Very low | 34.7 | Very low | 71 Ų | 71 | 156.8 Ų | 156.8 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | cis | 177.1 | 81.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 22 | N | 31.2 | Very low | 34.8 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 55.3 | 155.8 | 155.3 | -160.5 | 37.1 | 0 | 0 | 0 | 122.6 | ||||
| 23 | S | 32.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | 102.1 | 145.5 | 151.1 | 78.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 24 | N | 36.2 | Very low | 35.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -96.9 | 148.7 | -177.4 | -77.8 | -39.7 | 0 | 0 | 0 | 112.7 | ||||
| 25 | G | 32.6 | Very low | 35.1 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -175.4 | 129.4 | 163 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 26 | N | 35.5 | Very low | 35.1 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -149.5 | 114.3 | -178.9 | -176.3 | 7 | 0 | 0 | 0 | 112.3 | ||||
| 27 | P | 44.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -120 | 172.8 | 163 | 31.2 | -14.5 | 0 | 0 | 0 | 113.7 | ||||
| 28 | R | 34.3 | Very low | 35.3 | Very low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -102.9 | 150 | -158.1 | -63 | 169 | 171.9 | 161.6 | -5.5 | 115.8 | ||||
| 29 | L | 35.1 | Very low | 35.4 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 4.8 | 147.8 | 146.1 | -66.6 | 167.1 | 0 | 0 | 0 | 120.3 | ||||
| 30 | P | 50.4 | Low | 35.4 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | -125.7 | -162.7 | 99.2 | 37.9 | -32.1 | 0 | 0 | 0 | 114.9 | |||||
| 31 | H | 31.7 | Very low | 35.7 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -141 | 173.1 | -148.8 | 171.8 | -91.7 | 0 | 0 | 0 | 113.6 | ||||
| 32 | L | 33.8 | Very low | 36.3 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | 111.9 | 151.2 | 167.6 | -62.8 | 166.4 | 0 | 0 | 0 | 115.4 | ||||
| 33 | P | 39.5 | Very low | 36.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | cis | -129.7 | -176.7 | -46 | 37.5 | -21.4 | 0 | 0 | 0 | 112.5 | ||||
| 34 | A | 32.2 | Very low | 37.1 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -94.7 | 160.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 35 | V | 32.2 | Very low | 37.2 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -134.9 | 155.3 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 36 | S | 32.5 | Very low | 37.5 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 140.3 | -158.6 | -56.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 37 | Q | 36.5 | Very low | 37.7 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 18.8 | 136.8 | 133.9 | -52.2 | -176.1 | 5.7 | 0 | 0 | 120.2 | ||||
| 38 | H | 33.7 | Very low | 37.4 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | -168.1 | 139.2 | 104.7 | -111.4 | -106.2 | 0 | 0 | 0 | 111.8 | |||||
| 39 | L | 35.3 | Very low | 37.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 17.1 | 115.9 | 171 | -68.4 | 82.5 | 0 | 0 | 0 | 120.6 | ||||
| 40 | Y | 37.2 | Very low | 37.7 | Very low | 233 Ų | 233 | 138.2 Ų | 138.2 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | -164 | 143.5 | 112.8 | -95.2 | -65.4 | 0 | 0 | 0 | 110 | |||||
| 41 | S | 41.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87 | 135.8 | -171.8 | -39.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 42 | P | 44.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 156 | 169 | 32.6 | -34.5 | 0 | 0 | 0 | 112 | ||
| 43 | S | 35.7 | Very low | 38.8 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 142.2 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 44 | P | 43.5 | Very low | 39 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 146.2 | 175.5 | 30.7 | -34.7 | 0 | 0 | 0 | 112 | ||
| 45 | S | 39.8 | Very low | 40 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.3 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | S47 | S45-S47 PolarHBondContact O-N 2.89Š|
| 46 | L | 38.7 | Very low | 41.3 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 117 | 171.6 | -81.3 | 144.4 | 0 | 0 | 0 | 111.6 | ||
| 47 | S | 38.5 | Very low | 42.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -124 | 128.2 | 163 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | S45 | S45-S47 PolarHBondContact O-N 2.89Š| ||
| 48 | H | 38 | Very low | 43.9 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 128.8 | -179 | -69.1 | -99.5 | 0 | 0 | 0 | 110.7 | ||||
| 49 | S | 33.8 | Very low | 45.1 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -114.1 | 138.8 | 159.3 | -75.7 | 0 | 0 | 0 | 0 | 109 | G51 | S49-G51 PolarHBondContact O-N 3.47Š| ||
| 50 | A | 43 | Very low | 46.5 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 97% | 0.967 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 118.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 51 | G | 39.5 | Very low | 47.8 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | -151.5 | 112.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | S49 D53 | S49-G51 PolarHBondContact O-N 3.47Å; G51-D53 PolarHBondContact O-N 3.43Å | ||
| 52 | S | 50.5 | Low | 48.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -96.1 | 59.9 | -166.7 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 53 | D | 48.5 | Very low | 48.9 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -111.8 | 63.9 | 176.8 | -74 | -58.6 | 0 | 0 | 0 | 111.5 | G51 Q55 | G51-D53 PolarHBondContact O-N 3.43Å; D53-Q55 PolarHBondContact O-N 3.23Å | ||
| 54 | F | 43.2 | Very low | 50.1 | Low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -88.9 | 76.1 | 173.8 | -160.9 | -86.7 | 0 | 0 | 0 | 110.6 | P56 | F54-P56 WeakPolarHBondContact O-CD 3.28Š| ||
| 55 | Q | 54.7 | Low | 50.2 | Low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -83.7 | 114.5 | 178.5 | -166.8 | 161.5 | -8 | 0 | 0 | 110.5 | D53 | D53-Q55 PolarHBondContact O-N 3.23Š| ||
| 56 | P | 57.6 | Low | 50.5 | Low | 91 Ų | 91 | 140.3 Ų | 140.3 | 59% | 0.591 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 153.6 | -179.8 | 28.6 | -35 | 0 | 0 | 0 | 111.2 | F54 Y58 | F54-P56 WeakPolarHBondContact O-CD 3.28Å; P56-Y58 PolarHBondContact O-N 2.63Å; P56-Y58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | P | 58.8 | Low | 50.5 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -62.5 | 117.3 | -176.6 | 25.2 | -34.1 | 0 | 0 | 0 | 111.1 | F59 | P57-F59 PolarHBondContact O-N 3.31Š| ||
| 58 | Y | 65.3 | Low | 50.5 | Low | 196 Ų | 196 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -61.4 | 115.1 | 178.9 | 179.7 | -94.7 | 0 | 0 | 0 | 110.7 | P56 | P56-Y58 PolarHBondContact O-N 2.63Å; P56-Y58 VanDerWaalsContact O-N 3.12Å | ||
| 59 | F | 59.8 | Low | 50.8 | Low | 186 Ų | 186 | 138.9 Ų | 138.9 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 123.6 | 173.1 | -123.6 | -96.5 | 0 | 0 | 0 | 108.9 | P57 | P57-F59 PolarHBondContact O-N 3.31Š|
| 60 | P | 64.4 | Low | 51.1 | Low | 88 Ų | 88 | 142.2 Ų | 142.2 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 144.6 | 176 | 28.1 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 61 | P | 64.6 | Low | 51 | Low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 152.5 | 175.2 | 27.4 | -34.7 | 0 | 0 | 0 | 111 | Y63 | P61-Y63 PolarHBondContact O-N 3.32Š|
| 62 | P | 56.5 | Low | 51.2 | Low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.2 | 179.9 | 26 | -34.3 | 0 | 0 | 0 | 111.1 | Q64 | P62-Q64 PolarHBondContact O-N 3.02Š|
| 63 | Y | 52.1 | Low | 50.7 | Low | 224 Ų | 224 | 144.5 Ų | 144.5 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.3 | 178.3 | -72.4 | -90.3 | 0 | 0 | 0 | 111.1 | P61 | P61-Y63 PolarHBondContact O-N 3.32Š|
| 64 | Q | 61.7 | Low | 50.6 | Low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142.9 | 163.5 | -69.3 | -171.9 | -14.3 | 0 | 0 | 109.5 | P62 I66 | P62-Q64 PolarHBondContact O-N 3.02Å; Q64-I66 PolarHBondContact O-N 3.48Å; Q64-I66 VanDerWaalsContact O-N 3.1Å |
| 65 | P | 44.8 | Very low | 50.7 | Low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -68 | 110 | 177.4 | 27.5 | -33.2 | 0 | 0 | 0 | 110.1 | S67 | P65-S67 PolarHBondContact O-N 3.35Š| ||
| 66 | I | 47.3 | Very low | 50.6 | Low | 118 Ų | 118 | 137 Ų | 137 | 61% | 0.605 | 74% | 0.736 | S | S | * | * | trans | -73.9 | 116.9 | 171.6 | -65.4 | 169.9 | 0 | 0 | 0 | 108 | Q64 Y68 | Q64-I66 PolarHBondContact O-N 3.48Å; Q64-I66 VanDerWaalsContact O-N 3.1Å; I66-Y68 HydrophobicContact CB-CE2 4.18Å; I66-Y68 HydrophobicContact CG2-CD2 4.35Å; I66-Y68 HydrophobicContact CG2-CE2 4.13Å; I66-Y68 VanDerWaalsContact O-CD2 3.27Å; I66-Y68 WeakPolarHBondContact O-CD2 3.38Å; I66-Y68 PolarHBondContact O-N 3.47Å | ||
| 67 | S | 38.9 | Very low | 50.3 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -69.3 | 92.1 | 173 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | P65 | P65-S67 PolarHBondContact O-N 3.35Š| ||
| 68 | Y | 38 | Very low | 49.9 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -67.4 | 132.1 | 170.5 | -72 | -86.4 | 0 | 0 | 0 | 110.2 | I66 Q70 | I66-Y68 HydrophobicContact CB-CE2 4.18Å; I66-Y68 HydrophobicContact CG2-CD2 4.35Å; I66-Y68 HydrophobicContact CG2-CE2 4.13Å; I66-Y68 VanDerWaalsContact O-CD2 3.27Å; I66-Y68 WeakPolarHBondContact O-CD2 3.38Å; I66-Y68 PolarHBondContact O-N 3.47Å; Y68-Q70 PolarHBondContact O-N 3.32Å | ||
| 69 | P | 43.9 | Very low | 49.1 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -64.9 | 130.1 | 170.8 | 27.8 | -33.1 | 0 | 0 | 0 | 109.3 | S71 | P69-S71 PolarHBondContact O-N 3.13Å; P69-S71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | Q | 40.1 | Very low | 48.4 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | trans | -68.4 | 107.6 | -175.5 | -174.2 | 173.3 | -1.8 | 0 | 0 | 110.6 | Y68 T72 | Y68-Q70 PolarHBondContact O-N 3.32Å; Q70-T72 PolarHBondContact O-N 2.7Å | ||
| 71 | S | 39.9 | Very low | 47.7 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -64 | 121.5 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | P69 D73 | P69-S71 PolarHBondContact O-N 3.13Å; P69-S71 VanDerWaalsContact O-N 3.1Å; S71-D73 PolarHBondContact O-N 2.98Å; S71-D73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | T | 44.3 | Very low | 46.8 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -65 | 105.9 | 175.5 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | Q70 P74 | Q70-T72 PolarHBondContact O-N 2.7Å; T72-P74 VanDerWaalsContact O-CD 3.28Å; T72-P74 WeakPolarHBondContact O-CD 3.23Å | ||
| 73 | D | 40.8 | Very low | 46.4 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | -75.7 | 114.5 | 177 | -166.8 | -28.2 | 0 | 0 | 0 | 110.5 | S71 Y75 S76 | S71-D73 PolarHBondContact O-N 2.98Å; S71-D73 VanDerWaalsContact O-N 3.1Å; D73-Y75 PolarHBondContact O-N 3.25Å; D73-Y75 VanDerWaalsContact O-N 3.13Å; D73-Y75 PolarHBondContact OD1-N 2.7Å; D73-S76 PolarHBondContact O-OG 2.74Å | ||
| 74 | P | 46.6 | Very low | 46.2 | Very low | 95 Ų | 95 | 135 Ų | 135 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -10.9 | -171.5 | -21.7 | 35 | 0 | 0 | 0 | 115.6 | T72 H77 | T72-P74 VanDerWaalsContact O-CD 3.28Å; T72-P74 WeakPolarHBondContact O-CD 3.23Å; P74-H77 PolarHBondContact O-CE1 3.45Å |
| 75 | Y | 44.8 | Very low | 45.3 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 13.3 | -172.1 | -75.7 | -82.2 | 0 | 0 | 0 | 115.1 | D73 H77 L78 | D73-Y75 PolarHBondContact O-N 3.25Å; D73-Y75 VanDerWaalsContact O-N 3.13Å; D73-Y75 PolarHBondContact OD1-N 2.7Å; Y75-H77 PolarHBondContact O-N 3.34Å; Y75-L78 HydrophobicContact CD1-CD1 4.34Å; Y75-L78 PolarHBondContact O-N 2.64Å |
| 76 | S | 52.7 | Low | 45.1 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 5.3 | -177.1 | 40.5 | 0 | 0 | 0 | 0 | 116.4 | D73 | D73-S76 PolarHBondContact O-OG 2.74Š|
| 77 | H | 50.7 | Low | 44.8 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 3.8 | 176.9 | 45 | -102.4 | 0 | 0 | 0 | 114.4 | P74 Y75 | P74-H77 PolarHBondContact O-CE1 3.45Å; Y75-H77 PolarHBondContact O-N 3.34Å |
| 78 | L | 51.4 | Low | 44.8 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -88.6 | 102 | 169.2 | -66.2 | 175.9 | 0 | 0 | 0 | 110.2 | Y75 D80 | Y75-L78 HydrophobicContact CD1-CD1 4.34Å; Y75-L78 PolarHBondContact O-N 2.64Å; L78-D80 PolarHBondContact O-N 3.36Å | ||
| 79 | S | 47.4 | Very low | 44.6 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -76.4 | 115.1 | 178.7 | 41.3 | 0 | 0 | 0 | 0 | 112.2 | P81 | S79-P81 WeakPolarHBondContact O-CD 3.38Š| ||
| 80 | D | 46.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 120.3 | 172.5 | -172.7 | -27.1 | 0 | 0 | 0 | 110.5 | L78 F82 | L78-D80 PolarHBondContact O-N 3.36Å; D80-F82 PolarHBondContact O-N 2.74Å; D80-F82 VanDerWaalsContact O-N 3.15Å; D80-F82 PolarHBondContact OD1-N 3.49Å | ||
| 81 | P | 48 | Very low | 43.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 2.1 | -177 | 28.8 | -34 | 0 | 0 | 0 | 115.4 | S79 | S79-P81 WeakPolarHBondContact O-CD 3.38Š|
| 82 | F | 47.2 | Very low | 43.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 14.2 | -175.5 | -65.1 | -75.1 | 0 | 0 | 0 | 116.1 | D80 I84 | D80-F82 PolarHBondContact O-N 2.74Å; D80-F82 VanDerWaalsContact O-N 3.15Å; D80-F82 PolarHBondContact OD1-N 3.49Å; F82-I84 PolarHBondContact O-N 3.26Å |
| 83 | N | 48.3 | Very low | 42.9 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | -81.9 | 95.4 | -178.4 | -168.1 | 4.1 | 0 | 0 | 0 | 113.8 | N85 | N83-N85 PolarHBondContact O-N 3.07Š| ||
| 84 | I | 46.9 | Very low | 42.5 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -94.1 | 65.9 | -177.8 | -45.4 | 177.1 | 0 | 0 | 0 | 111.4 | F82 | F82-I84 PolarHBondContact O-N 3.26Š| ||
| 85 | N | 43 | Very low | 41.8 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -141.9 | 62.1 | -179 | -92.6 | -47 | 0 | 0 | 0 | 113.9 | N83 | N83-N85 PolarHBondContact O-N 3.07Š| ||
| 86 | S | 40.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -132.2 | 12 | 178.2 | -55.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 87 | I | 41.7 | Very low | 40 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -132.7 | 51.8 | -177.3 | -41.5 | -178.5 | 0 | 0 | 0 | 111.8 | ||
| 88 | H | 38.5 | Very low | 39.8 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -164.1 | 83.2 | 154.2 | -131.1 | -113 | 0 | 0 | 0 | 113.3 | ||||
| 89 | Q | 34.2 | Very low | 38.6 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -136.2 | 117.3 | 156.2 | -71.9 | -164.2 | 11.2 | 0 | 0 | 109.9 | ||||
| 90 | S | 32.5 | Very low | 37.6 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 141.4 | 174 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | S92 | S90-S92 PolarHBondContact O-N 2.92Š|
| 91 | P | 35.5 | Very low | 37.6 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.3 | -178.9 | 29.2 | -34 | 0 | 0 | 0 | 111.9 | ||
| 92 | S | 32.5 | Very low | 36.6 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 157.8 | 162.9 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | S90 | S90-S92 PolarHBondContact O-N 2.92Š|
| 93 | S | 31.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 161.5 | -155.1 | 55.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 94 | N | 31.2 | Very low | 34.9 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | 98.6 | 123.3 | 143.4 | -103.4 | -7.9 | 0 | 0 | 0 | 122.1 | ||||
| 95 | Q | 31.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 144 Ų | 144 | 64% | 0.64 | 80% | 0.798 | S | S | * | * | trans | 91.5 | 124.7 | 135.7 | -75.8 | 179.9 | 63.8 | 0 | 0 | 123.4 | ||||
| 96 | Q | 31.7 | Very low | 33.6 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 77.9 | 89.5 | 141.9 | -63.8 | 173.7 | 22.5 | 0 | 0 | 121 | ||||
| 97 | Q | 29.7 | Very low | 33.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | 35 | 163 | 111.1 | -79.6 | -148.8 | 11.3 | 0 | 0 | 122.4 | |||||
| 98 | P | 46.4 | Very low | 32.6 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | cis | -143 | 170.9 | -33.7 | 39.4 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 99 | S | 25.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 179.5 | 168 | 141.9 | 32.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 100 | W | 27.1 | Very low | 32.2 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -119 | -160.9 | -167 | -70.3 | 74 | 0 | 0 | 0 | 112.6 | ||||
| 101 | P | 45.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -130.2 | -178.5 | -86.5 | 41.8 | -25.5 | 0 | 0 | 0 | 114.6 | |||||
| 102 | G | 27.9 | Very low | 32 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -169.6 | 126.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 103 | R | 30.9 | Very low | 31.9 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | 56 | 84.3 | 152.6 | -70.3 | -174.7 | 165.7 | -83.7 | -1.2 | 121.7 | ||||
| 104 | Q | 29.1 | Very low | 32 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | 36.5 | 108.5 | 103.1 | -169.5 | -179.6 | 23 | 0 | 0 | 120.4 | |||||
| 105 | G | 29.8 | Very low | 32.1 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | 97.5 | 127.8 | 120.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 106 | Q | 32.1 | Very low | 32.2 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | -174.6 | 141.6 | 120.6 | -171.7 | 143 | 65.8 | 0 | 0 | 111.7 | |||||
| 107 | D | 30.7 | Very low | 32.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -85.2 | 159.8 | -179 | -51.1 | -96.8 | 0 | 0 | 0 | 114.1 | ||||
| 108 | G | 30.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -178.3 | 59.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 109 | L | 32.3 | Very low | 31.9 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | 38 | 122.9 | 147.4 | -65.5 | 166.5 | 0 | 0 | 0 | 122.3 | ||||
| 110 | G | 32 | Very low | 32.1 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -169.4 | 136 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 111 | R | 33.1 | Very low | 32.4 | Very low | 223 Ų | 223 | 135.8 Ų | 135.8 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -133 | 153.5 | -170.9 | -80.2 | -178.2 | 66 | -112.8 | 4.2 | 114.6 | ||||
| 112 | S | 31.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | 71.2 | 151.9 | 162.5 | -54.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 113 | G | 30.8 | Very low | 32 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | cis | 138.4 | 146.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 114 | L | 33.5 | Very low | 31.9 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | 70.5 | 169.6 | 176.5 | -50.6 | 175.8 | 0 | 0 | 0 | 116.4 | ||||
| 115 | A | 32.7 | Very low | 32.3 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | -174.3 | 158.5 | -52.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 116 | S | 33.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -47.7 | 152.7 | -174.7 | -40.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 117 | Q | 33.6 | Very low | 32.4 | Very low | 177 Ų | 177 | 125.5 Ų | 125.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | 179.1 | 128.5 | 125.5 | -94.7 | 165.8 | 84.4 | 0 | 0 | 112.7 | |||||
| 118 | I | 34.1 | Very low | 32.6 | Very low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | 86.9 | 144.4 | 85.6 | -62 | -179.3 | 0 | 0 | 0 | 115.7 | |||||
| 119 | L | 34.8 | Very low | 32.8 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | 84.8 | 148 | 177.1 | -52.9 | -175.4 | 0 | 0 | 0 | 118 | ||||
| 120 | G | 29 | Very low | 32.9 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | 160.8 | 157 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 121 | L | 34.9 | Very low | 32.8 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 67 | 166.1 | 171.4 | -65.3 | 105 | 0 | 0 | 0 | 119.4 | ||||
| 122 | E | 33 | Very low | 32.6 | Very low | 177 Ų | 177 | 128 Ų | 128 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -171.6 | 156 | -48.1 | -152 | -155 | 122.7 | 0 | 0 | 111 | ||||
| 123 | G | 31.3 | Very low | 32.7 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 86.5 | 145.5 | 142 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 124 | G | 28.9 | Very low | 32.8 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 131.6 | 105.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 125 | S | 36.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -132.2 | 152.2 | 171.5 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 126 | S | 34.2 | Very low | 33.1 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | 170.5 | 150.8 | 143.1 | -83.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 127 | G | 31.1 | Very low | 33.1 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 94.2 | 108.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 128 | V | 34 | Very low | 33.3 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | cis | 103 | 108.2 | 19 | -178.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 129 | R | 34 | Very low | 33.2 | Very low | 238 Ų | 238 | 142.8 Ų | 142.8 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 165.3 | 122.8 | 151.6 | -89.7 | 153.5 | -159.7 | -101.1 | 4.1 | 107.1 | ||||
| 130 | R | 34.1 | Very low | 34 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 54.7 | 129.6 | 57.2 | -66.4 | -163.1 | 166.9 | -120.5 | 9.4 | 112.8 | |||||
| 131 | E | 31 | Very low | 35.1 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | cis | -148.8 | -174.8 | 3.6 | -135.1 | 76.1 | -83.4 | 0 | 0 | 108 | ||||
| 132 | G | 29.2 | Very low | 34.9 | Very low | 53 Ų | 53 | 143.5 Ų | 143.5 | 55% | 0.546 | 78% | 0.78 | S | S | . | * | cis | 165.2 | 163.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 133 | F | 32.4 | Very low | 34.6 | Very low | 196 Ų | 196 | 140 Ų | 140 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 150.3 | 172.6 | -54.6 | -65.9 | 0 | 0 | 0 | 118.3 | ||||
| 134 | R | 33.2 | Very low | 34.7 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | cis | -148.4 | 153 | -5.3 | -132.1 | -174.5 | -151.6 | -146.4 | 7 | 111.4 | ||||
| 135 | R | 33 | Very low | 34.6 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -102.8 | 166.9 | 162.4 | -153.2 | -176.9 | -167.1 | -158.4 | -2.2 | 109.1 | E137 | R135-E137 IonicContact CZ-OE2 3.67Å; R135-E137 VanDerWaalsContact CZ-OE2 3.28Å; R135-E137 IonicContact NH1-OE2 3.35Å; R135-E137 PolarHBondContact NH1-OE2 3.36Å; R135-E137 IonicContact NH2-OE2 3.75Å | ||
| 136 | P | 39.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | -140.8 | 152.8 | 122.9 | 33.9 | -19.7 | 0 | 0 | 0 | 114.7 | |||||
| 137 | E | 33.7 | Very low | 34.2 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 57% | 0.57 | 76% | 0.764 | S | S | * | * | trans | -111.3 | 160.4 | 157.1 | -81.3 | -179.3 | 92.2 | 0 | 0 | 108.7 | R135 | R135-E137 IonicContact CZ-OE2 3.67Å; R135-E137 VanDerWaalsContact CZ-OE2 3.28Å; R135-E137 IonicContact NH1-OE2 3.35Å; R135-E137 PolarHBondContact NH1-OE2 3.36Å; R135-E137 IonicContact NH2-OE2 3.75Å | ||
| 138 | L | 36.7 | Very low | 34.4 | Very low | 176 Ų | 176 | 148 Ų | 148 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -169.8 | 160.3 | 133.3 | -100.5 | 168.7 | 0 | 0 | 0 | 109.8 | ||||
| 139 | L | 33.6 | Very low | 34.6 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -120.3 | -137.5 | -163.3 | -69.5 | 168.6 | 0 | 0 | 0 | 113.6 | ||||
| 140 | P | 50.4 | Low | 34.5 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | -119.1 | -163.7 | -109 | 42.7 | -25.4 | 0 | 0 | 0 | 112.4 | |||||
| 141 | P | 51.7 | Low | 34.5 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -134.8 | -168.6 | -1 | 44.8 | -27.5 | 0 | 0 | 0 | 114.7 | ||||
| 142 | H | 32.2 | Very low | 34.6 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | 179.5 | 173 | 133.6 | -86.7 | -51.8 | 0 | 0 | 0 | 110.6 | ||||
| 143 | S | 26.1 | Very low | 34.9 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -139.8 | 165.4 | -125.8 | -163.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 144 | L | 32.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 69.8 | 154.2 | 179.2 | -53.4 | 174.2 | 0 | 0 | 0 | 114.1 | ||||
| 145 | D | 28.1 | Very low | 35 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -137.7 | 178.9 | 15.3 | -153.2 | -7.6 | 0 | 0 | 0 | 113.4 | ||||
| 146 | S | 29.9 | Very low | 35.3 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -139.8 | 129.5 | -165.9 | -175.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 147 | S | 32.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -158.8 | 118 | 158.3 | 59 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 148 | V | 34 | Very low | 34.9 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | cis | 63.5 | 93.2 | 45 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 149 | I | 38.5 | Very low | 34.5 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -155.4 | 138.4 | 131.4 | -97.4 | 153.3 | 0 | 0 | 0 | 105.6 | ||||
| 150 | G | 32.7 | Very low | 35 | Very low | 60 Ų | 60 | 133.8 Ų | 133.8 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 171 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 151 | D | 34.2 | Very low | 34 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | 20.5 | 124 | 152.5 | -48.9 | -35.7 | 0 | 0 | 0 | 119.3 | ||||
| 152 | N | 32.1 | Very low | 33.1 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -145.8 | 138.7 | 132.2 | -164.7 | 32.5 | 0 | 0 | 0 | 112 | ||||
| 153 | M | 35.2 | Very low | 33 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -111.4 | 140.5 | 168.1 | -68.6 | -166.5 | -69.7 | 0 | 0 | 110.1 | ||||
| 154 | G | 33 | Very low | 33.2 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -142.4 | 126.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 155 | I | 35.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | cis | 59.1 | 82.6 | 36.5 | -46.1 | -175.8 | 0 | 0 | 0 | 111.5 | ||||
| 156 | H | 39.4 | Very low | 33.3 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | -130.8 | 143.9 | 144.5 | -84.6 | -81.6 | 0 | 0 | 0 | 108 | ||||
| 157 | D | 30.1 | Very low | 33.2 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -126.6 | 173.7 | -174.7 | 176.5 | 38.9 | 0 | 0 | 0 | 109.5 | ||||
| 158 | M | 35.2 | Very low | 33.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 80% | 0.798 | S | S | * | * | trans | 103.8 | 117.2 | -179.7 | -59.6 | -74 | 166.2 | 0 | 0 | 115.1 | ||||
| 159 | G | 28.2 | Very low | 32.9 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -93.4 | -136.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 160 | P | 44.5 | Very low | 32.4 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | cis | -133.4 | -176.5 | -4.7 | 42.5 | -26.3 | 0 | 0 | 0 | 114.4 | ||||
| 161 | G | 28.3 | Very low | 32.4 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 156 | 101 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 162 | L | 33.6 | Very low | 32.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | 62.1 | 100.4 | 81 | -99.8 | 167.6 | 0 | 0 | 0 | 115.7 | |||||
| 163 | E | 29.4 | Very low | 32.2 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -169.3 | 142.8 | 106.6 | -100.9 | -173.9 | 138.5 | 0 | 0 | 111.9 | |||||
| 164 | D | 29.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 134.4 | 176.2 | -81.8 | -76.5 | 0 | 0 | 0 | 111.5 | ||||
| 165 | V | 33.1 | Very low | 32.2 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -140.4 | 98.8 | 158.9 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 166 | Q | 29.5 | Very low | 32.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 52.8 | 112.2 | 144.5 | -60.9 | -176.7 | -101.9 | 0 | 0 | 121.7 | ||||
| 167 | H | 28.6 | Very low | 31.8 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -57.2 | 143.7 | 146 | -152.8 | -109.6 | 0 | 0 | 0 | 111.4 | D169 | H167-D169 VanDerWaalsContact CE1-CG 3.43Å; H167-D169 IonicContact CE1-OD1 3.68Å; H167-D169 PolarHBondContact CE1-OD1 3.18Å; H167-D169 IonicContact CE1-OD2 2.83Å; H167-D169 PolarHBondContact CE1-OD2 3.42Å; H167-D169 IonicContact ND1-OD1 4Å; H167-D169 IonicContact ND1-OD2 3.18Å; H167-D169 PolarHBondContact ND1-OD2 2.92Å | ||
| 168 | V | 32.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -141.8 | 121.5 | 160.2 | -166.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 169 | D | 28 | Very low | 32 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -83.5 | 155.3 | -176.4 | -75.6 | -79.6 | 0 | 0 | 0 | 113.8 | H167 | H167-D169 VanDerWaalsContact CE1-CG 3.43Å; H167-D169 IonicContact CE1-OD1 3.68Å; H167-D169 PolarHBondContact CE1-OD1 3.18Å; H167-D169 IonicContact CE1-OD2 2.83Å; H167-D169 PolarHBondContact CE1-OD2 3.42Å; H167-D169 IonicContact ND1-OD1 4Å; H167-D169 IonicContact ND1-OD2 3.18Å; H167-D169 PolarHBondContact ND1-OD2 2.92Å | ||
| 170 | D | 28.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | 49 | 120.7 | 150.7 | -141.7 | -24 | 0 | 0 | 0 | 119.4 | S172 | D170-S172 PolarHBondContact OD1-N 2.97Š| ||
| 171 | H | 31.4 | Very low | 31.7 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | -154.5 | 124.7 | 117.9 | -95.1 | -30.4 | 0 | 0 | 0 | 112.4 | |||||
| 172 | S | 31 | Very low | 31.9 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -65.6 | 125.9 | 176.6 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | D170 | D170-S172 PolarHBondContact OD1-N 2.97Š| ||
| 173 | I | 33 | Very low | 31.9 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -129.3 | 101.4 | 166.8 | -58.1 | -177.1 | 0 | 0 | 0 | 109.1 | M175 | I173-M175 HydrophobicContact CG2-CE 3.72Å; I173-M175 HydrophobicContact CG2-CG 4.14Å; I173-M175 PolarHBondContact O-N 2.65Å | ||
| 174 | I | 35.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -81.8 | 111.5 | 172.6 | -62.4 | 172.5 | 0 | 0 | 0 | 108.3 | ||||
| 175 | M | 32.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -99.8 | 115.2 | 173.8 | -78.9 | -70.9 | 168 | 0 | 0 | 110.9 | I173 D177 | I173-M175 HydrophobicContact CG2-CE 3.72Å; I173-M175 HydrophobicContact CG2-CG 4.14Å; I173-M175 PolarHBondContact O-N 2.65Å; M175-D177 PolarHBondContact O-N 2.73Å | ||
| 176 | P | 33 | Very low | 31.7 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -82 | 106.2 | 173.5 | 31.4 | -31.9 | 0 | 0 | 0 | 111.2 | Q178 | P176-Q178 PolarHBondContact O-N 3.06Š| ||
| 177 | D | 32.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | -68.3 | 115.7 | 171.7 | -176 | -11.3 | 0 | 0 | 0 | 111 | M175 T179 | M175-D177 PolarHBondContact O-N 2.73Å; D177-T179 WeakPolarHBondContact OD1-CB 3.42Å; D177-T179 VanDerWaalsContact OD1-CG2 3.29Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.46Å; D177-T179 PolarHBondContact OD1-N 3.43Å; D177-T179 PolarHBondContact OD1-OG1 3.02Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å | ||
| 178 | Q | 31.2 | Very low | 32.2 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -112.5 | 65.4 | 168.4 | -71.2 | -162.1 | 7.5 | 0 | 0 | 112.3 | P176 | P176-Q178 PolarHBondContact O-N 3.06Š| ||
| 179 | T | 38.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 63% | 0.632 | 76% | 0.764 | S | S | * | * | trans | -98.4 | 86.1 | 171.1 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | D177 I181 | D177-T179 WeakPolarHBondContact OD1-CB 3.42Å; D177-T179 VanDerWaalsContact OD1-CG2 3.29Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.46Å; D177-T179 PolarHBondContact OD1-N 3.43Å; D177-T179 PolarHBondContact OD1-OG1 3.02Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å; T179-I181 PolarHBondContact O-N 3.38Å | ||
| 180 | V | 30.6 | Very low | 32.4 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -74.1 | 85.2 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | K182 | V180-K182 PolarHBondContact O-N 3.4Š| ||
| 181 | I | 35.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 101.9 | 169.2 | -59.4 | -177.7 | 0 | 0 | 0 | 109.8 | T179 | T179-I181 PolarHBondContact O-N 3.38Š| ||
| 182 | K | 33.6 | Very low | 33.4 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -71.9 | 126 | -176.2 | -154.1 | 167 | -172.7 | 171.3 | 0 | 111.5 | V180 | V180-K182 PolarHBondContact O-N 3.4Š| ||
| 183 | K | 32.2 | Very low | 33.9 | Very low | 184 Ų | 184 | 143 Ų | 143 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -53.6 | 134.1 | -178.3 | -76.2 | 176.9 | 176.2 | 171.9 | 0 | 113.2 | ||||
| 184 | V | 29.1 | Very low | 34.1 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -122.7 | 72.6 | 146.9 | -176 | 0 | 0 | 0 | 0 | 108.1 | G186 | V184-G186 PolarHBondContact O-N 3.15Š| ||
| 185 | L | 30.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -88.3 | 84.1 | 179.4 | -164.5 | 81.1 | 0 | 0 | 0 | 110 | L187 | L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 HydrophobicContact CD2-CD1 4.01Å; L185-L187 HydrophobicContact CD2-CG 4.07Å; L185-L187 HydrophobicContact CG-CG 4.39Å; L185-L187 PolarHBondContact O-N 3.16Å | ||
| 186 | G | 30.2 | Very low | 34.9 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | -70.7 | 73.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V184 R188 | V184-G186 PolarHBondContact O-N 3.15Å; G186-R188 PolarHBondContact O-N 3.09Å; G186-R188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | L | 32.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -63.1 | 109.9 | 175.6 | -85.4 | 163 | 0 | 0 | 0 | 111.4 | L185 | L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 HydrophobicContact CD2-CD1 4.01Å; L185-L187 HydrophobicContact CD2-CG 4.07Å; L185-L187 HydrophobicContact CG-CG 4.39Å; L185-L187 PolarHBondContact O-N 3.16Å | ||
| 188 | R | 33.9 | Very low | 35.3 | Very low | 250 Ų | 250 | 143.4 Ų | 143.4 | 94% | 0.943 | 74% | 0.735 | S | S | * | * | trans | -137.5 | 84.7 | 161.2 | -153.4 | 175.2 | -147.2 | -137.6 | 3.8 | 110 | G186 | G186-R188 PolarHBondContact O-N 3.09Å; G186-R188 VanDerWaalsContact O-N 3.15Å | ||
| 189 | G | 30.4 | Very low | 35.7 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -83.3 | 174.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 190 | G | 34.5 | Very low | 35.8 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 90.7 | 146.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 191 | R | 39.7 | Very low | 36 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | 64.7 | 73.7 | 167.5 | -51.6 | -178.1 | -61.5 | -178.7 | 1 | 116.4 | ||||
| 192 | N | 41.3 | Very low | 35.9 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | -144.3 | -1.4 | 157.2 | -101.6 | -69.4 | 0 | 0 | 0 | 115.5 | ||||
| 193 | L | 41.3 | Very low | 36.1 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -69 | -41.6 | 178.4 | -164 | 63.3 | 0 | 0 | 0 | 111.1 | R195 I196 Q197 | L193-R195 PolarHBondContact O-N 3.27Å; L193-R195 VanDerWaalsContact O-N 3.12Å; L193-I196 PolarHBondContact O-N 3.24Å; L193-Q197 PolarHBondContact O-N 3.26Å |
| 194 | D | 37 | Very low | 35.9 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 56% | 0.556 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -64.4 | -18.5 | -177.8 | -35.9 | -87.4 | 0 | 0 | 0 | 114 | ||
| 195 | R | 40.1 | Very low | 36.3 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -84.6 | -29.6 | 175.8 | 176 | 169.7 | -85.5 | -143.2 | -4.2 | 112 | L193 T199 | L193-R195 PolarHBondContact O-N 3.27Å; L193-R195 VanDerWaalsContact O-N 3.12Å; R195-T199 PolarHBondContact O-OG1 3.19Å; R195-T199 VanDerWaalsContact O-OG1 3.13Å |
| 196 | I | 45.9 | Very low | 36.4 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 44% | 0.441 | 74% | 0.737 | S | S | . | * | H | α-helix | trans | -69.7 | -52.8 | 178.6 | -61.9 | 174.6 | 0 | 0 | 0 | 108.9 | L193 R198 T199 Y200 | L193-I196 PolarHBondContact O-N 3.24Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 3.14Å; I196-T199 PolarHBondContact O-N 3.04Å; I196-Y200 HydrophobicContact CG2-CD2 4.19Å; I196-Y200 HydrophobicContact CG2-CE2 4.07Å; I196-Y200 WeakPolarHBondContact O-CD2 3.38Å |
| 197 | Q | 36.5 | Very low | 36.5 | Very low | 127 Ų | 127 | 144 Ų | 144 | 59% | 0.593 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -58.5 | -36.6 | -176.1 | -159.6 | 172.3 | 17.9 | 0 | 0 | 113.1 | L193 T199 Y200 Y201 | L193-Q197 PolarHBondContact O-N 3.26Å; Q197-T199 VanDerWaalsContact C-N 3.27Å; Q197-T199 PolarHBondContact O-N 3.47Å; Q197-Y200 PolarHBondContact O-N 2.84Å; Q197-Y201 HydrophobicContact CG-CD2 4.29Å; Q197-Y201 HydrophobicContact CG-CE2 4.4Å; Q197-Y201 PolarHBondContact O-N 3.46Å |
| 198 | R | 37.7 | Very low | 36.4 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -66.2 | -25.2 | 179.6 | -154 | -175.3 | -57.3 | -157.2 | -0.5 | 113.8 | I196 | I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 3.14Å |
| 199 | T | 38.9 | Very low | 36.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -80.4 | -24.6 | 178.8 | -39.3 | 0 | 0 | 0 | 0 | 112.2 | R195 I196 Q197 | R195-T199 PolarHBondContact O-OG1 3.19Å; R195-T199 VanDerWaalsContact O-OG1 3.13Å; I196-T199 PolarHBondContact O-N 3.04Å; Q197-T199 VanDerWaalsContact C-N 3.27Å; Q197-T199 PolarHBondContact O-N 3.47Å |
| 200 | Y | 41.2 | Very low | 36.7 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -90.6 | -13.7 | -177.7 | -78.9 | -77.5 | 0 | 0 | 0 | 114.6 | I196 Q197 | I196-Y200 HydrophobicContact CG2-CD2 4.19Å; I196-Y200 HydrophobicContact CG2-CE2 4.07Å; I196-Y200 WeakPolarHBondContact O-CD2 3.38Å; Q197-Y200 PolarHBondContact O-N 2.84Å |
| 201 | Y | 34.3 | Very low | 36.6 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -99.5 | -8.6 | 180 | -91.1 | -85.9 | 0 | 0 | 0 | 115.1 | Q197 G203 | Q197-Y201 HydrophobicContact CG-CD2 4.29Å; Q197-Y201 HydrophobicContact CG-CE2 4.4Å; Q197-Y201 PolarHBondContact O-N 3.46Å; Y201-G203 PolarHBondContact O-N 2.93Å |
| 202 | Q | 33.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -87.6 | 50.7 | 177.7 | -160.8 | 156.4 | 20.9 | 0 | 0 | 112.3 | ||
| 203 | G | 36.7 | Very low | 35.9 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -140.7 | 39.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y201 | Y201-G203 PolarHBondContact O-N 2.93Š| ||
| 204 | G | 29.6 | Very low | 35.4 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -121 | 142.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 205 | F | 35.5 | Very low | 35.1 | Very low | 210 Ų | 210 | 138 Ų | 138 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 139.2 | 178.7 | -81 | -118.1 | 0 | 0 | 0 | 111.8 | ||||
| 206 | L | 33.1 | Very low | 34.5 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | trans | -127.8 | 119.2 | 151.4 | -76.9 | 178.1 | 0 | 0 | 0 | 108.4 | ||||
| 207 | A | 33 | Very low | 34.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -77.3 | 131.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 208 | G | 29.3 | Very low | 34.2 | Very low | 64 Ų | 64 | 140.9 Ų | 140.9 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | -132.7 | 154.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 209 | P | 34.1 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -70.9 | 150.3 | -157.3 | 25.6 | -34.8 | 0 | 0 | 0 | 115.2 | ||||
| 210 | V | 37 | Very low | 34 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -62.6 | 130 | 179 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 211 | T | 31.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -126.6 | 134.2 | 152.9 | 52.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 212 | L | 32.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 135 Ų | 135 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -116.3 | 109.2 | -168.8 | -156.9 | 87.9 | 0 | 0 | 0 | 111 | ||||
| 213 | P | 34.1 | Very low | 33.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -80.6 | 133.2 | 161.7 | 31 | -28.7 | 0 | 0 | 0 | 109.5 | ||||
| 214 | K | 31.4 | Very low | 33.6 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -77.1 | 128.6 | -177.9 | -64.4 | 176.6 | -179.8 | 175.4 | 0 | 111 | ||||
| 215 | G | 29.9 | Very low | 34.1 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 51.3 | 121.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 216 | N | 28.6 | Very low | 34 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | -152.7 | 137.8 | 119.9 | -120.2 | 2.9 | 0 | 0 | 0 | 111.6 | |||||
| 217 | T | 41.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -96.9 | 97 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 218 | L | 35.4 | Very low | 35.1 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -139.7 | 134.1 | 159.1 | -74.1 | 179.2 | 0 | 0 | 0 | 109 | L220 | L218-L220 PolarHBondContact O-N 3.49Š| ||
| 219 | G | 40.8 | Very low | 36 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 124.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 220 | L | 30.7 | Very low | 36.9 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 127.7 | 168.5 | -76.5 | 169.3 | 0 | 0 | 0 | 109.4 | L218 | L218-L220 PolarHBondContact O-N 3.49Š|
| 221 | P | 34.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 152.1 | 178.4 | 30.2 | -34.8 | 0 | 0 | 0 | 111.3 | Q223 | P221-Q223 PolarHBondContact O-N 3.28Š|
| 222 | F | 33.1 | Very low | 39.9 | Very low | 189 Ų | 189 | 134 Ų | 134 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -55.5 | 105 | 163.6 | 173.9 | -95.5 | 0 | 0 | 0 | 109 | K224 | F222-K224 HydrophobicContact CD1-CB 4.11Å; F222-K224 HydrophobicContact CE1-CB 4.08Å; F222-K224 HydrophobicContact CE1-CG 4.37Å; F222-K224 PolarHBondContact O-N 2.97Å | ||
| 223 | Q | 29 | Very low | 42.4 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -78 | 76.9 | -174.4 | -161.9 | 175.2 | 41 | 0 | 0 | 111.1 | P221 | P221-Q223 PolarHBondContact O-N 3.28Š| ||
| 224 | K | 40.9 | Very low | 44.9 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 61% | 0.613 | 72% | 0.719 | S | S | * | * | trans | -60.2 | 156.7 | 162.4 | -160.1 | -166.1 | 174.7 | -143.6 | 0 | 109.5 | F222 | F222-K224 HydrophobicContact CD1-CB 4.11Å; F222-K224 HydrophobicContact CE1-CB 4.08Å; F222-K224 HydrophobicContact CE1-CG 4.37Å; F222-K224 PolarHBondContact O-N 2.97Å | ||
| 225 | E | 40 | Very low | 47.7 | Very low | 156 Ų | 156 | 122.3 Ų | 122.3 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | trans | 65.9 | 90.5 | 169.4 | -75.6 | 154.9 | -137.2 | 0 | 0 | 116.9 | ||||
| 226 | S | 32.4 | Very low | 50.7 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -119.9 | 96.1 | 145.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | L228 | S226-L228 PolarHBondContact O-N 2.99Š|
| 227 | L | 42.5 | Very low | 53.8 | Low | 177 Ų | 177 | 118.4 Ų | 118.4 | 93% | 0.927 | 66% | 0.658 | S | S | * | * | trans | 29.9 | 57.9 | 161.8 | -73 | 163 | 0 | 0 | 0 | 117.3 | ||||
| 228 | L | 47.2 | Very low | 56.3 | Low | 167 Ų | 167 | 114 Ų | 114 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -87 | 110.3 | 161.4 | -66.6 | -179.9 | 0 | 0 | 0 | 108.5 | S226 | S226-L228 PolarHBondContact O-N 2.99Š| ||
| 229 | G | 49.2 | Very low | 59.2 | Low | 50 Ų | 50 | 107.9 Ų | 107.9 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | trans | -56.5 | 145.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V231 | G229-V231 PolarHBondContact O-N 3.37Š| ||
| 230 | M | 53.3 | Low | 61.8 | Low | 186 Ų | 186 | 107.6 Ų | 107.6 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | trans | -56 | 105.9 | -175.8 | -66.9 | 169.9 | 65.9 | 0 | 0 | 110.3 | S232 | M230-S232 PolarHBondContact O-N 2.97Š| ||
| 231 | V | 61.8 | Low | 64.9 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 35% | 0.345 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 131.5 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | G229 V258 I299 L301 | G229-V231 PolarHBondContact O-N 3.37Å; V231-V258 HydrophobicContact CG1-CG1 4.09Å; V231-I299 WeakPolarHBondContact CA-O 3.31Å; V231-L301 HydrophobicContact CG1-CD2 3.79Å; V231-L301 HydrophobicContact CG1-CG 4.43Å; V231-L301 HydrophobicContact CG2-CD2 4.28Å |
| 232 | S | 69.8 | Low | 67.7 | Low | 31 Ų | 31 | 97.2 Ų | 97.2 | 22% | 0.217 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 162.6 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | M230 P234 E236 I299 | M230-S232 PolarHBondContact O-N 2.97Å; S232-P234 WeakPolarHBondContact O-CD 3.45Å; S232-E236 WeakPolarHBondContact CB-OE2 3.47Å; S232-I299 PolarHBondContact N-O 3.44Å; S232-I299 WeakPolarHBondContact OG-CA 3.11Å; S232-I299 WeakPolarHBondContact OG-CB 3.35Å; S232-I299 WeakPolarHBondContact OG-CG2 3.48Å |
| 233 | N | 85.3 | Confident | 70.5 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 118.7 | -178.7 | 176.5 | -0.4 | 0 | 0 | 0 | 110.1 | T235 E236 | N233-T235 PolarHBondContact ND2-OG1 2.99Å; N233-T235 VanDerWaalsContact ND2-OG1 3.16Å; N233-T235 PolarHBondContact O-N 3.31Å; N233-T235 PolarHBondContact OD1-N 3.43Å; N233-T235 VanDerWaalsContact OD1-N 3.08Å; N233-T235 PolarHBondContact OD1-OG1 3.42Å; N233-T235 VanDerWaalsContact OD1-OG1 3.06Å; N233-E236 HydrophobicContact CB-CB 4.35Å; N233-E236 WeakPolarHBondContact O-CB 3.21Å; N233-E236 PolarHBondContact O-N 3.38Å |
| 234 | P | 86.6 | Confident | 73.5 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | -174.2 | 22 | -33.4 | 0 | 0 | 0 | 113.1 | S232 E236 A259 | S232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-A259 HydrophobicContact CB-CB 4.11Å; P234-A259 VanDerWaalsContact O-CB 3.23Å; P234-A259 WeakPolarHBondContact O-CB 3.46Å; P234-A259 PolarHBondContact O-N 3.06Å |
| 235 | T | 88.8 | Confident | 75.9 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8.2 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | N233 N388 | N233-T235 PolarHBondContact ND2-OG1 2.99Å; N233-T235 VanDerWaalsContact ND2-OG1 3.16Å; N233-T235 PolarHBondContact O-N 3.31Å; N233-T235 PolarHBondContact OD1-N 3.43Å; N233-T235 VanDerWaalsContact OD1-N 3.08Å; N233-T235 PolarHBondContact OD1-OG1 3.42Å; N233-T235 VanDerWaalsContact OD1-OG1 3.06Å; T235-N388 WeakPolarHBondContact CB-ND2 3.44Å; T235-N388 HydrophobicContact CG2-CB 4.13Å |
| 236 | E | 92.7 | Very high | 78.1 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -65.6 | 146.1 | -179.9 | -170.6 | -178.5 | 160.5 | 0 | 0 | 111.4 | S232 N233 P234 F238 T257 V258 | S232-E236 WeakPolarHBondContact CB-OE2 3.47Å; N233-E236 HydrophobicContact CB-CB 4.35Å; N233-E236 WeakPolarHBondContact O-CB 3.21Å; N233-E236 PolarHBondContact O-N 3.38Å; P234-E236 VanDerWaalsContact C-N 3.33Å; E236-F238 PolarHBondContact O-N 2.95Å; E236-T257 CarbonylContact O-C 3.47Å; E236-T257 WeakPolarHBondContact O-CA 3.32Å; E236-T257 WeakPolarHBondContact O-CB 3.48Å; E236-V258 HydrophobicContact CB-CG2 4Å; E236-V258 PolarHBondContact O-N 3.3Å |
| 237 | V | 94.5 | Very high | 80.7 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | C239 K255 V256 | V237-C239 VanDerWaalsContact CG1-O 3.28Å; V237-C239 WeakPolarHBondContact CG1-O 3.38Å; V237-K255 HydrophobicContact CG1-CB 3.94Å; V237-K255 HydrophobicContact CG1-CG 4.11Å; V237-K255 HydrophobicContact CG2-CB 4.08Å; V237-K255 HydrophobicContact CG2-CD 3.94Å; V237-K255 HydrophobicContact CG2-CG 4.16Å; V237-V256 CarbonylContact C-O 3.57Å |
| 238 | F | 94.8 | Very high | 82.5 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 18% | 0.184 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -39.5 | 177.4 | -177.8 | -112.8 | 0 | 0 | 0 | 112.3 | E236 V256 V258 V261 L280 L292 K295 L296 I299 | E236-F238 PolarHBondContact O-N 2.95Å; F238-V256 PolarHBondContact N-O 3.16Å; F238-V258 HydrophobicContact CB-CG2 4.49Å; F238-V261 HydrophobicContact CB-CG2 4.17Å; F238-V261 HydrophobicContact CD1-CG2 3.78Å; F238-V261 HydrophobicContact CE1-CG2 4.45Å; F238-V261 HydrophobicContact CG-CG2 4.11Å; F238-L280 HydrophobicContact CD1-CD1 4.22Å; F238-L280 HydrophobicContact CD1-CD2 4.46Å; F238-L280 HydrophobicContact CE1-CD1 3.75Å; F238-L292 HydrophobicContact CE1-CD1 4.25Å; F238-L292 HydrophobicContact CZ-CD1 4.26Å; F238-K295 HydrophobicContact CE2-CB 4.23Å; F238-K295 HydrophobicContact CZ-CB 4.09Å; F238-L296 HydrophobicContact CE1-CD2 4.2Å; F238-L296 HydrophobicContact CE2-CD2 4.02Å; F238-L296 HydrophobicContact CZ-CD2 3.65Å; F238-L296 HydrophobicContact CZ-CG 4.19Å; F238-I299 HydrophobicContact CD2-CD1 3.57Å; F238-I299 HydrophobicContact CE2-CD1 3.74Å; F238-I299 HydrophobicContact CE2-CG1 4.47Å |
| 239 | C | 95 | Very high | 84.1 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 171.6 | 165.9 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | V237 V256 | V237-C239 VanDerWaalsContact CG1-O 3.28Å; V237-C239 WeakPolarHBondContact CG1-O 3.38Å; C239-V256 PolarHBondContact N-O 2.95Å; C239-V256 PolarHBondContact O-N 2.94Å |
| 240 | S | 96.2 | Very high | 85.4 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.3 | 164.2 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | Y254 | S240-Y254 CarbonylContact C-O 3.6Å; S240-Y254 VanDerWaalsContact CA-O 3.3Å; S240-Y254 WeakPolarHBondContact CA-O 3.4Å |
| 241 | V | 95.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.2 | 175.9 | -62 | 0 | 0 | 0 | 0 | 110.3 | K253 Y254 V256 R281 V320 | V241-K253 CarbonylContact O-C 3.45Å; V241-K253 VanDerWaalsContact O-CA 3.23Å; V241-K253 WeakPolarHBondContact O-CA 3.39Å; V241-Y254 PolarHBondContact N-O 3.16Å; V241-Y254 PolarHBondContact O-N 3.39Å; V241-V256 HydrophobicContact CG1-CG2 4.14Å; V241-V256 HydrophobicContact CG2-CG2 4.05Å; V241-R281 HydrophobicContact CB-CG 4.23Å; V241-R281 HydrophobicContact CG1-CG 4.22Å; V241-V320 HydrophobicContact CG2-CG1 4.06Å; V241-V320 HydrophobicContact CG2-CG2 3.86Å |
| 242 | P | 93.1 | Very high | 87.9 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 168.6 | 164.9 | 27.8 | -35.5 | 0 | 0 | 0 | 111.3 | T251 S252 R281 | P242-T251 HydrophobicContact CB-CG2 4.48Å; P242-S252 CarbonylContact C-O 3.43Å; P242-S252 WeakPolarHBondContact CA-O 3.48Å; P242-R281 PolarHBondContact O-NE 3.27Å; P242-R281 VanDerWaalsContact O-NE 3.15Å; P242-R281 PolarHBondContact O-NH1 3.03Å; P242-R281 PolarHBondContact O-NH2 3.5Å |
| 243 | G | 92.8 | Very high | 89 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | trans | -77.2 | 153.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S252 R281 E323 | G243-S252 PolarHBondContact N-O 3.05Å; G243-R281 PolarHBondContact O-NH1 3.45Å; G243-E323 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 244 | R | 92.2 | Very high | 89.4 | Confident | 103 Ų | 103 | 74.6 Ų | 74.6 | 39% | 0.389 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -86.6 | -35.3 | 170.3 | -67.1 | -152.5 | -167.4 | -89.5 | -8.2 | 111.2 | G278 R281 S318 E323 | R244-G278 PolarHBondContact NH2-O 3.12Å; R244-R281 VanDerWaalsContact CG-CZ 3.44Å; R244-R281 VanDerWaalsContact CG-NH1 3.32Å; R244-S318 VanDerWaalsContact CZ-O 3.24Å; R244-S318 PolarHBondContact NE-O 3.08Å; R244-S318 PolarHBondContact NH2-O 3.08Å; R244-E323 PolarHBondContact N-OE1 2.78Å |
| 245 | L | 90.3 | Very high | 89.9 | Confident | 115 Ų | 115 | 78.6 Ų | 78.6 | 60% | 0.602 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -97.2 | 6.6 | -176.3 | -50.7 | -179.4 | 0 | 0 | 0 | 111.9 | L319 L327 | L245-L319 HydrophobicContact CD1-CD2 4.41Å; L245-L327 HydrophobicContact CD1-CD1 3.92Å; L245-L327 HydrophobicContact CD1-CD2 3.99Å; L245-L327 HydrophobicContact CD1-CG 4.38Å |
| 246 | S | 86.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 24% | 0.238 | 41% | 0.412 | C | S | . | . | trans | -82.8 | 129.7 | 176.8 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | S250 S252 | S246-S250 WeakPolarHBondContact CB-O 3.31Å; S246-S252 WeakPolarHBondContact OG-CB 3.47Å; S246-S252 PolarHBondContact OG-N 3.44Å | ||
| 247 | L | 86.9 | Confident | 90.3 | Very high | 127 Ų | 127 | 71.9 Ų | 71.9 | 67% | 0.665 | 40% | 0.397 | S | S | * | . | trans | -68.7 | 156.9 | 167.2 | -59.7 | 179.4 | 0 | 0 | 0 | 110.6 | S249 S250 T251 | L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.91Å; L247-S250 CarbonylContact O-C 3.21Å; L247-S250 PolarHBondContact O-N 3.46Å; L247-T251 PolarHBondContact O-N 2.86Å | ||
| 248 | L | 81 | Confident | 90.3 | Very high | 169 Ų | 169 | 69.1 Ų | 69.1 | 89% | 0.885 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -55.7 | -42.7 | -177 | -64.2 | 173.4 | 0 | 0 | 0 | 112.6 | S250 T251 | L248-S250 VanDerWaalsContact C-N 3.27Å; L248-S250 PolarHBondContact O-N 2.85Å; L248-T251 PolarHBondContact O-OG1 3.45Å |
| 249 | S | 80.6 | Confident | 90.2 | Very high | 110 Ų | 110 | 67.2 Ų | 67.2 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -66 | -23.3 | 176.2 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | L247 | L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.91Å |
| 250 | S | 76.6 | Confident | 90.3 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 53% | 0.531 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -125.6 | 52.3 | -174.6 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | S246 L247 L248 S252 | S246-S250 WeakPolarHBondContact CB-O 3.31Å; L247-S250 CarbonylContact O-C 3.21Å; L247-S250 PolarHBondContact O-N 3.46Å; L248-S250 VanDerWaalsContact C-N 3.27Å; L248-S250 PolarHBondContact O-N 2.85Å; S250-S252 PolarHBondContact O-N 2.8Å |
| 251 | T | 79.3 | Confident | 90.2 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | trans | -70.2 | 84.9 | -176.9 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | P242 L247 L248 | P242-T251 HydrophobicContact CB-CG2 4.48Å; L247-T251 PolarHBondContact O-N 2.86Å; L248-T251 PolarHBondContact O-OG1 3.45Å | ||
| 252 | S | 87 | Confident | 90.1 | Very high | 44 Ų | 44 | 65.7 Ų | 65.7 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | trans | -64.1 | 145.8 | 170.5 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | P242 G243 S246 S250 | P242-S252 CarbonylContact C-O 3.43Å; P242-S252 WeakPolarHBondContact CA-O 3.48Å; G243-S252 PolarHBondContact N-O 3.05Å; S246-S252 WeakPolarHBondContact OG-CB 3.47Å; S246-S252 PolarHBondContact OG-N 3.44Å; S250-S252 PolarHBondContact O-N 2.8Å | ||
| 253 | K | 93 | Very high | 90.1 | Very high | 164 Ų | 164 | 63.7 Ų | 63.7 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.8 | 171 | -68.7 | 177.4 | -176.3 | 171.1 | 0 | 110.2 | V241 | V241-K253 CarbonylContact O-C 3.45Å; V241-K253 VanDerWaalsContact O-CA 3.23Å; V241-K253 WeakPolarHBondContact O-CA 3.39Å |
| 254 | Y | 95.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.1 | -176.6 | -62.1 | -86.9 | 0 | 0 | 0 | 110.4 | S240 V241 V320 G322 E323 H326 | S240-Y254 CarbonylContact C-O 3.6Å; S240-Y254 VanDerWaalsContact CA-O 3.3Å; S240-Y254 WeakPolarHBondContact CA-O 3.4Å; V241-Y254 PolarHBondContact N-O 3.16Å; V241-Y254 PolarHBondContact O-N 3.39Å; Y254-V320 HydrophobicContact CG-CG2 4.38Å; Y254-G322 WeakPolarHBondContact CD1-O 3.32Å; Y254-G322 VanDerWaalsContact CE1-O 3.26Å; Y254-G322 WeakPolarHBondContact CE1-O 3.42Å; Y254-E323 HydrophobicContact CD1-CG 4.02Å; Y254-E323 HydrophobicContact CD2-CG 3.47Å; Y254-E323 VanDerWaalsContact CD2-CG 3.47Å; Y254-E323 HydrophobicContact CE1-CG 4.11Å; Y254-E323 HydrophobicContact CE2-CG 3.58Å; Y254-E323 HydrophobicContact CG-CG 3.7Å; Y254-H326 HydrophobicContact CE1-CB 4.25Å; Y254-H326 AromaticContact CE1-ND1 3.89Å; Y254-H326 AromaticContact CZ-ND1 3.85Å; Y254-H326 PolarHBondContact OH-ND1 3.09Å |
| 255 | K | 95.4 | Very high | 90.1 | Very high | 146 Ų | 146 | 58.9 Ų | 58.9 | 64% | 0.635 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 124.5 | 175.6 | -67.5 | 172.9 | 176 | -179.8 | 0 | 109 | V237 | V237-K255 HydrophobicContact CG1-CB 3.94Å; V237-K255 HydrophobicContact CG1-CG 4.11Å; V237-K255 HydrophobicContact CG2-CB 4.08Å; V237-K255 HydrophobicContact CG2-CD 3.94Å; V237-K255 HydrophobicContact CG2-CG 4.16Å |
| 256 | V | 96.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.6 | 172.4 | -176 | 0 | 0 | 0 | 0 | 107.9 | V237 F238 C239 V241 E260 V261 L280 V320 | V237-V256 CarbonylContact C-O 3.57Å; F238-V256 PolarHBondContact N-O 3.16Å; C239-V256 PolarHBondContact N-O 2.95Å; C239-V256 PolarHBondContact O-N 2.94Å; V241-V256 HydrophobicContact CG1-CG2 4.14Å; V241-V256 HydrophobicContact CG2-CG2 4.05Å; V256-E260 HydrophobicContact CG1-CB 4.24Å; V256-E260 HydrophobicContact CG1-CG 4.02Å; V256-V261 HydrophobicContact CG1-CG2 3.86Å; V256-L280 HydrophobicContact CB-CD2 4.29Å; V256-L280 HydrophobicContact CG1-CD2 3.83Å; V256-L280 HydrophobicContact CG2-CD2 4.26Å; V256-V320 HydrophobicContact CG2-CB 4.08Å; V256-V320 HydrophobicContact CG2-CG1 3.7Å; V256-V320 HydrophobicContact CG2-CG2 4.31Å |
| 257 | T | 95.2 | Very high | 90.4 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 161.4 | -176.9 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | E236 A259 E260 V261 N388 | E236-T257 CarbonylContact O-C 3.47Å; E236-T257 WeakPolarHBondContact O-CA 3.32Å; E236-T257 WeakPolarHBondContact O-CB 3.48Å; T257-A259 PolarHBondContact O-N 2.89Å; T257-E260 PolarHBondContact O-N 2.95Å; T257-E260 PolarHBondContact OG1-N 3.1Å; T257-V261 WeakPolarHBondContact O-CG2 3.43Å; T257-V261 PolarHBondContact O-N 2.86Å; T257-V261 VanDerWaalsContact O-N 3.07Å; T257-N388 PolarHBondContact OG1-OD1 2.93Å |
| 258 | V | 94.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.6 | -39.3 | 169.2 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V231 E236 F238 V261 Q262 I299 L301 | V231-V258 HydrophobicContact CG1-CG1 4.09Å; E236-V258 HydrophobicContact CB-CG2 4Å; E236-V258 PolarHBondContact O-N 3.3Å; F238-V258 HydrophobicContact CB-CG2 4.49Å; V258-V261 PolarHBondContact O-N 2.88Å; V258-Q262 VanDerWaalsContact O-CB 3.3Å; V258-Q262 WeakPolarHBondContact O-CB 3.28Å; V258-Q262 PolarHBondContact O-N 3.13Å; V258-I299 HydrophobicContact CG1-CD1 4.21Å; V258-I299 HydrophobicContact CG2-CD1 3.91Å; V258-L301 HydrophobicContact CG1-CD1 4.28Å |
| 259 | A | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P234 T257 V261 Q262 R263 G387 | P234-A259 HydrophobicContact CB-CB 4.11Å; P234-A259 VanDerWaalsContact O-CB 3.23Å; P234-A259 WeakPolarHBondContact O-CB 3.46Å; P234-A259 PolarHBondContact O-N 3.06Å; T257-A259 PolarHBondContact O-N 2.89Å; A259-V261 VanDerWaalsContact C-N 3.35Å; A259-V261 PolarHBondContact O-N 3.38Å; A259-Q262 PolarHBondContact O-N 3.5Å; A259-R263 WeakPolarHBondContact O-CB 3.42Å; A259-R263 PolarHBondContact O-N 3.25Å; A259-G387 WeakPolarHBondContact CB-O 3.32Å |
| 260 | E | 95.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.7 | 168.6 | 163.9 | -166.6 | 0 | 0 | 110.7 | V256 T257 Q262 R263 R264 V320 E321 | V256-E260 HydrophobicContact CG1-CB 4.24Å; V256-E260 HydrophobicContact CG1-CG 4.02Å; T257-E260 PolarHBondContact O-N 2.95Å; T257-E260 PolarHBondContact OG1-N 3.1Å; E260-Q262 PolarHBondContact O-N 3.27Å; E260-R263 PolarHBondContact O-N 3.05Å; E260-R264 HydrophobicContact CG-CG 4.42Å; E260-R264 VanDerWaalsContact O-CG 3.26Å; E260-R264 WeakPolarHBondContact O-CG 3.49Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 3.55Å; E260-R264 IonicContact OE1-NH1 3.2Å; E260-R264 PolarHBondContact OE1-NH1 2.79Å; E260-V320 WeakPolarHBondContact OE1-CA 3.4Å; E260-V320 WeakPolarHBondContact OE1-CB 3.42Å; E260-E321 VanDerWaalsContact CB-OE1 3.28Å; E260-E321 WeakPolarHBondContact CB-OE1 3.36Å; E260-E321 HydrophobicContact CG-CG 4.46Å; E260-E321 WeakPolarHBondContact CG-OE1 3.25Å; E260-E321 PolarHBondContact OE1-N 3.11Å; E260-E321 VanDerWaalsContact OE1-N 3.16Å; E260-E321 PolarHBondContact OE2-N 3.45Å |
| 261 | V | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | F238 V256 T257 V258 A259 R263 R264 L265 L276 L296 L301 | F238-V261 HydrophobicContact CB-CG2 4.17Å; F238-V261 HydrophobicContact CD1-CG2 3.78Å; F238-V261 HydrophobicContact CE1-CG2 4.45Å; F238-V261 HydrophobicContact CG-CG2 4.11Å; V256-V261 HydrophobicContact CG1-CG2 3.86Å; T257-V261 WeakPolarHBondContact O-CG2 3.43Å; T257-V261 PolarHBondContact O-N 2.86Å; T257-V261 VanDerWaalsContact O-N 3.07Å; V258-V261 PolarHBondContact O-N 2.88Å; A259-V261 VanDerWaalsContact C-N 3.35Å; A259-V261 PolarHBondContact O-N 3.38Å; V261-R263 PolarHBondContact O-N 3.47Å; V261-R264 PolarHBondContact O-N 3.21Å; V261-L265 HydrophobicContact CG1-CD1 4.48Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 2.94Å; V261-L265 VanDerWaalsContact O-N 3.13Å; V261-L276 HydrophobicContact CG1-CD2 4.12Å; V261-L296 HydrophobicContact CG1-CD2 3.44Å; V261-L296 VanDerWaalsContact CG1-CD2 3.44Å; V261-L301 HydrophobicContact CB-CD1 4.28Å; V261-L301 HydrophobicContact CG1-CD1 3.87Å |
| 262 | Q | 93 | Very high | 92.7 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 177.3 | -173.6 | 178.3 | 36.8 | 0 | 0 | 111.3 | V258 A259 E260 R264 L265 S266 L301 | V258-Q262 VanDerWaalsContact O-CB 3.3Å; V258-Q262 WeakPolarHBondContact O-CB 3.28Å; V258-Q262 PolarHBondContact O-N 3.13Å; A259-Q262 PolarHBondContact O-N 3.5Å; E260-Q262 PolarHBondContact O-N 3.27Å; Q262-R264 VanDerWaalsContact C-N 3.28Å; Q262-R264 PolarHBondContact O-N 3.14Å; Q262-L265 PolarHBondContact O-N 3.21Å; Q262-S266 PolarHBondContact O-N 3.19Å; Q262-S266 VanDerWaalsContact O-N 3.14Å; Q262-S266 PolarHBondContact O-OG 3.3Å; Q262-L301 HydrophobicContact CB-CD1 4.05Å; Q262-L301 HydrophobicContact CB-CD2 3.92Å; Q262-L301 HydrophobicContact CG-CD2 3.77Å |
| 263 | R | 93.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | 178.2 | -175.3 | -165.1 | 69.3 | 66 | -8 | 112.7 | A259 E260 V261 S266 E269 E321 L408 H411 | A259-R263 WeakPolarHBondContact O-CB 3.42Å; A259-R263 PolarHBondContact O-N 3.25Å; E260-R263 PolarHBondContact O-N 3.05Å; V261-R263 PolarHBondContact O-N 3.47Å; R263-S266 VanDerWaalsContact C-OG 3.31Å; R263-S266 WeakPolarHBondContact CA-OG 3.5Å; R263-S266 PolarHBondContact O-N 2.96Å; R263-S266 PolarHBondContact O-OG 3.12Å; R263-E269 IonicContact CZ-OE2 3.98Å; R263-E269 IonicContact NH1-OE2 2.63Å; R263-E269 PolarHBondContact NH1-OE2 3.18Å; R263-E269 IonicContact NH2-OE2 3.58Å; R263-E321 IonicContact CZ-OE1 3.89Å; R263-E321 IonicContact NE-OE1 3.06Å; R263-E321 PolarHBondContact NE-OE1 2.93Å; R263-E321 IonicContact NE-OE2 3.49Å; R263-E321 IonicContact NH2-OE1 3.52Å; R263-E321 PolarHBondContact NH2-OE1 3.47Å; R263-L408 VanDerWaalsContact CD-CD2 3.44Å; R263-L408 HydrophobicContact CG-CD2 3.69Å; R263-L408 PolarHBondContact NH1-O 3.37Å; R263-H411 PolarHBondContact NH2-ND1 3.35Å |
| 264 | R | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -79.4 | -17.3 | 179.7 | -63.3 | -178 | 100.2 | 158 | -1 | 113.3 | E260 V261 Q262 E269 C270 L271 T317 L319 H411 | E260-R264 HydrophobicContact CG-CG 4.42Å; E260-R264 VanDerWaalsContact O-CG 3.26Å; E260-R264 WeakPolarHBondContact O-CG 3.49Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 3.55Å; E260-R264 IonicContact OE1-NH1 3.2Å; E260-R264 PolarHBondContact OE1-NH1 2.79Å; V261-R264 PolarHBondContact O-N 3.21Å; Q262-R264 VanDerWaalsContact C-N 3.28Å; Q262-R264 PolarHBondContact O-N 3.14Å; R264-E269 IonicContact CZ-OE1 3.34Å; R264-E269 IonicContact NE-OE1 3.13Å; R264-E269 PolarHBondContact NE-OE1 3.13Å; R264-E269 IonicContact NE-OE2 3.54Å; R264-E269 IonicContact NH2-OE1 2.93Å; R264-E269 PolarHBondContact NH2-OE1 3.42Å; R264-C270 PolarHBondContact O-N 3.08Å; R264-L271 HydrophobicContact CB-CD1 3.97Å; R264-L271 HydrophobicContact CB-CG 4.24Å; R264-L271 WeakPolarHBondContact O-CB 3.44Å; R264-L271 WeakPolarHBondContact O-CG 3.41Å; R264-L271 PolarHBondContact O-N 3.07Å; R264-T317 PolarHBondContact NH2-O 2.73Å; R264-T317 VanDerWaalsContact NH2-O 3.1Å; R264-L319 PolarHBondContact NH1-O 2.88Å; R264-L319 PolarHBondContact NH2-O 3.42Å; R264-H411 PolarHBondContact NH2-CD2 3.43Å; R264-H411 PolarHBondContact NH2-NE2 3.17Å |
| 265 | L | 92.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -84 | -23.9 | 170.7 | -67.3 | -174.4 | 0 | 0 | 0 | 113.3 | V261 Q262 L276 L296 L303 R307 | V261-L265 HydrophobicContact CG1-CD1 4.48Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 2.94Å; V261-L265 VanDerWaalsContact O-N 3.13Å; Q262-L265 PolarHBondContact O-N 3.21Å; L265-L276 HydrophobicContact CD2-CD2 3.93Å; L265-L276 HydrophobicContact CG-CD2 4.45Å; L265-L296 HydrophobicContact CD1-CD1 4.35Å; L265-L303 HydrophobicContact CD1-CB 4.34Å; L265-L303 HydrophobicContact CD2-CD1 3.89Å; L265-L303 HydrophobicContact CD2-CD2 4.07Å; L265-L303 HydrophobicContact CD2-CG 4.42Å; L265-R307 PolarHBondContact O-NH1 3.23Å |
| 266 | S | 90.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 34% | 0.336 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -83.7 | 171.9 | 168.8 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | Q262 R263 C270 | Q262-S266 PolarHBondContact O-N 3.19Å; Q262-S266 VanDerWaalsContact O-N 3.14Å; Q262-S266 PolarHBondContact O-OG 3.3Å; R263-S266 VanDerWaalsContact C-OG 3.31Å; R263-S266 WeakPolarHBondContact CA-OG 3.5Å; R263-S266 PolarHBondContact O-N 2.96Å; R263-S266 PolarHBondContact O-OG 3.12Å; S266-C270 VanDerWaalsContact C-SG 3.57Å; S266-C270 WeakPolarHBondContact O-CA 3.46Å; S266-C270 PolarHBondContact O-N 3.15Å |
| 267 | P | 90.4 | Very high | 92.2 | Very high | 97 Ų | 97 | 26.7 Ų | 26.7 | 63% | 0.63 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 152.6 | 165.1 | -23.3 | 34.4 | 0 | 0 | 0 | 111.6 | C270 | P267-C270 VanDerWaalsContact N-SG 3.37Š|
| 268 | P | 90.6 | Very high | 92 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -81.5 | -20 | 3.7 | 31.3 | -35.8 | 0 | 0 | 0 | 114.9 | L408 I409 | P268-L408 HydrophobicContact CG-CB 3.92Å; P268-L408 HydrophobicContact CG-CD1 4.46Å; P268-I409 HydrophobicContact CB-CG2 3.95Å; P268-I409 HydrophobicContact CG-CG2 3.49Å; P268-I409 VanDerWaalsContact CG-CG2 3.49Å |
| 269 | E | 91.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -40.4 | -172.5 | -76.6 | 175.2 | 77.7 | 0 | 0 | 113.8 | R263 R264 L271 A311 H411 | R263-E269 IonicContact CZ-OE2 3.98Å; R263-E269 IonicContact NH1-OE2 2.63Å; R263-E269 PolarHBondContact NH1-OE2 3.18Å; R263-E269 IonicContact NH2-OE2 3.58Å; R264-E269 IonicContact CZ-OE1 3.34Å; R264-E269 IonicContact NE-OE1 3.13Å; R264-E269 PolarHBondContact NE-OE1 3.13Å; R264-E269 IonicContact NE-OE2 3.54Å; R264-E269 IonicContact NH2-OE1 2.93Å; R264-E269 PolarHBondContact NH2-OE1 3.42Å; E269-L271 HydrophobicContact CB-CD2 3.98Å; E269-L271 HydrophobicContact CB-CG 4.02Å; E269-L271 PolarHBondContact O-N 2.96Å; E269-A311 VanDerWaalsContact O-CB 3.31Å; E269-A311 WeakPolarHBondContact O-CB 3.44Å; E269-H411 VanDerWaalsContact CD-CE1 3.4Å; E269-H411 IonicContact OE1-CE1 3.95Å; E269-H411 IonicContact OE1-NE2 2.7Å; E269-H411 IonicContact OE2-CE1 2.74Å; E269-H411 PolarHBondContact OE2-CE1 3.21Å; E269-H411 IonicContact OE2-ND1 2.65Å; E269-H411 PolarHBondContact OE2-ND1 3.28Å |
| 270 | C | 90.9 | Very high | 92.1 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | trans | 47.8 | 41.5 | -179.2 | -81.2 | 0 | 0 | 0 | 0 | 113.7 | R264 S266 P267 R307 A310 | R264-C270 PolarHBondContact O-N 3.08Å; S266-C270 VanDerWaalsContact C-SG 3.57Å; S266-C270 WeakPolarHBondContact O-CA 3.46Å; S266-C270 PolarHBondContact O-N 3.15Å; P267-C270 VanDerWaalsContact N-SG 3.37Å; C270-R307 PolarHBondContact O-NH1 2.82Å; C270-A310 HydrophobicContact CB-CB 3.84Å | ||
| 271 | L | 91.6 | Very high | 92 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -55.8 | 151.4 | -171.2 | -62.6 | -169.6 | 0 | 0 | 0 | 112.5 | R264 E269 L275 L276 V279 R307 T317 | R264-L271 HydrophobicContact CB-CD1 3.97Å; R264-L271 HydrophobicContact CB-CG 4.24Å; R264-L271 WeakPolarHBondContact O-CB 3.44Å; R264-L271 WeakPolarHBondContact O-CG 3.41Å; R264-L271 PolarHBondContact O-N 3.07Å; E269-L271 HydrophobicContact CB-CD2 3.98Å; E269-L271 HydrophobicContact CB-CG 4.02Å; E269-L271 PolarHBondContact O-N 2.96Å; L271-L275 HydrophobicContact CB-CB 4.46Å; L271-L275 HydrophobicContact CD2-CB 4.18Å; L271-L275 HydrophobicContact CD2-CD1 4.17Å; L271-L276 HydrophobicContact CB-CB 4.45Å; L271-V279 HydrophobicContact CD1-CG2 4.25Å; L271-R307 PolarHBondContact O-NH1 2.98Å; L271-T317 HydrophobicContact CD2-CG2 4.33Å | ||
| 272 | N | 90.1 | Very high | 91.7 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | trans | -100.3 | 168 | 169.8 | 70.5 | 33.6 | 0 | 0 | 0 | 110.7 | S274 L275 L276 R307 | N272-S274 PolarHBondContact O-N 2.9Å; N272-S274 VanDerWaalsContact O-N 3.13Å; N272-S274 PolarHBondContact OD1-N 3.03Å; N272-S274 VanDerWaalsContact OD1-N 3.17Å; N272-L275 PolarHBondContact O-N 3.48Å; N272-L275 VanDerWaalsContact O-N 3.16Å; N272-L275 PolarHBondContact OD1-N 3.17Å; N272-L276 WeakPolarHBondContact O-CB 3.48Å; N272-L276 PolarHBondContact O-N 2.79Å; N272-R307 WeakPolarHBondContact CB-O 3.48Å | ||
| 273 | A | 90.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -29.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G277 L292 L303 | A273-G277 PolarHBondContact O-N 3.46Å; A273-L292 HydrophobicContact CB-CD2 4.21Å; A273-L292 WeakPolarHBondContact O-CD2 3.46Å; A273-L303 HydrophobicContact CB-CD2 3.77Å; A273-L303 HydrophobicContact CB-CG 4.47Å |
| 274 | S | 88.1 | Confident | 90.8 | Very high | 101 Ų | 101 | 45 Ų | 45 | 71% | 0.706 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -75.4 | -43.3 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | N272 G278 | N272-S274 PolarHBondContact O-N 2.9Å; N272-S274 VanDerWaalsContact O-N 3.13Å; N272-S274 PolarHBondContact OD1-N 3.03Å; N272-S274 VanDerWaalsContact OD1-N 3.17Å; S274-G278 PolarHBondContact O-N 3.18Å; S274-G278 VanDerWaalsContact O-N 3.14Å |
| 275 | L | 91 | Very high | 90.4 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -48.5 | 176.5 | -68.4 | 173.1 | 0 | 0 | 0 | 110.9 | L271 N272 G277 G278 V279 K309 V313 | L271-L275 HydrophobicContact CB-CB 4.46Å; L271-L275 HydrophobicContact CD2-CB 4.18Å; L271-L275 HydrophobicContact CD2-CD1 4.17Å; N272-L275 PolarHBondContact O-N 3.48Å; N272-L275 VanDerWaalsContact O-N 3.16Å; N272-L275 PolarHBondContact OD1-N 3.17Å; L275-G277 VanDerWaalsContact C-N 3.31Å; L275-G277 PolarHBondContact O-N 2.83Å; L275-G278 PolarHBondContact O-N 3.06Å; L275-G278 VanDerWaalsContact O-N 3.07Å; L275-V279 PolarHBondContact O-N 3.35Å; L275-K309 HydrophobicContact CD1-CG 4.5Å; L275-V313 HydrophobicContact CD1-CG2 4.05Å; L275-V313 HydrophobicContact CD2-CG2 4.11Å |
| 276 | L | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.4 | -178.7 | 61.5 | 0 | 0 | 0 | 111.1 | V261 L265 L271 N272 G278 V279 L280 L292 L296 L303 | V261-L276 HydrophobicContact CG1-CD2 4.12Å; L265-L276 HydrophobicContact CD2-CD2 3.93Å; L265-L276 HydrophobicContact CG-CD2 4.45Å; L271-L276 HydrophobicContact CB-CB 4.45Å; N272-L276 WeakPolarHBondContact O-CB 3.48Å; N272-L276 PolarHBondContact O-N 2.79Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 3.18Å; L276-V279 PolarHBondContact O-N 3.07Å; L276-L280 HydrophobicContact CD1-CD1 3.93Å; L276-L280 HydrophobicContact CD1-CD2 4.45Å; L276-L280 HydrophobicContact CD1-CG 3.97Å; L276-L280 HydrophobicContact CD2-CD1 4.46Å; L276-L280 HydrophobicContact CG-CD1 3.79Å; L276-L280 HydrophobicContact CG-CG 4.24Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.89Å; L276-L292 HydrophobicContact CB-CD2 4.27Å; L276-L292 HydrophobicContact CD2-CD2 4.14Å; L276-L292 HydrophobicContact CG-CD2 4.18Å; L276-L296 HydrophobicContact CD2-CD1 4.08Å; L276-L303 HydrophobicContact CD2-CD2 4.39Å |
| 277 | G | 92.9 | Very high | 90 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.7 | -35.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A273 L275 L280 R281 R282 | A273-G277 PolarHBondContact O-N 3.46Å; L275-G277 VanDerWaalsContact C-N 3.31Å; L275-G277 PolarHBondContact O-N 2.83Å; G277-L280 CarbonylContact O-C 3.53Å; G277-R281 PolarHBondContact O-N 3.26Å; G277-R281 VanDerWaalsContact O-N 3.07Å; G277-R282 PolarHBondContact O-N 3.02Å |
| 278 | G | 92.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -77.5 | -31.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R244 S274 L275 L276 R281 | R244-G278 PolarHBondContact NH2-O 3.12Å; S274-G278 PolarHBondContact O-N 3.18Å; S274-G278 VanDerWaalsContact O-N 3.14Å; L275-G278 PolarHBondContact O-N 3.06Å; L275-G278 VanDerWaalsContact O-N 3.07Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 3.18Å; G278-R281 PolarHBondContact O-N 2.88Å |
| 279 | V | 94.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -49.9 | 168 | 170 | 0 | 0 | 0 | 0 | 109.9 | L271 L275 L276 R281 T317 V320 | L271-V279 HydrophobicContact CD1-CG2 4.25Å; L275-V279 PolarHBondContact O-N 3.35Å; L276-V279 PolarHBondContact O-N 3.07Å; V279-R281 VanDerWaalsContact O-CG 3.25Å; V279-R281 WeakPolarHBondContact O-CG 3.46Å; V279-R281 PolarHBondContact O-N 3.33Å; V279-R281 VanDerWaalsContact O-N 3.14Å; V279-T317 WeakPolarHBondContact CG2-O 3.46Å; V279-V320 HydrophobicContact CG1-CG1 3.83Å |
| 280 | L | 95.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.1 | 176.5 | -58.5 | 175.3 | 0 | 0 | 0 | 114 | F238 V256 L276 G277 R282 L292 | F238-L280 HydrophobicContact CD1-CD1 4.22Å; F238-L280 HydrophobicContact CD1-CD2 4.46Å; F238-L280 HydrophobicContact CE1-CD1 3.75Å; V256-L280 HydrophobicContact CB-CD2 4.29Å; V256-L280 HydrophobicContact CG1-CD2 3.83Å; V256-L280 HydrophobicContact CG2-CD2 4.26Å; L276-L280 HydrophobicContact CD1-CD1 3.93Å; L276-L280 HydrophobicContact CD1-CD2 4.45Å; L276-L280 HydrophobicContact CD1-CG 3.97Å; L276-L280 HydrophobicContact CD2-CD1 4.46Å; L276-L280 HydrophobicContact CG-CD1 3.79Å; L276-L280 HydrophobicContact CG-CG 4.24Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.89Å; G277-L280 CarbonylContact O-C 3.53Å; L280-R282 HydrophobicContact CB-CG 4.3Å; L280-R282 PolarHBondContact O-N 3.01Å; L280-L292 HydrophobicContact CD1-CD1 3.92Å |
| 281 | R | 93.3 | Very high | 89.9 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27.3 | 172.7 | -41.1 | -170.6 | -172.4 | -147.6 | 1.8 | 115 | V241 P242 G243 R244 G277 G278 V279 E323 | V241-R281 HydrophobicContact CB-CG 4.23Å; V241-R281 HydrophobicContact CG1-CG 4.22Å; P242-R281 PolarHBondContact O-NE 3.27Å; P242-R281 VanDerWaalsContact O-NE 3.15Å; P242-R281 PolarHBondContact O-NH1 3.03Å; P242-R281 PolarHBondContact O-NH2 3.5Å; G243-R281 PolarHBondContact O-NH1 3.45Å; R244-R281 VanDerWaalsContact CG-CZ 3.44Å; R244-R281 VanDerWaalsContact CG-NH1 3.32Å; G277-R281 PolarHBondContact O-N 3.26Å; G277-R281 VanDerWaalsContact O-N 3.07Å; G278-R281 PolarHBondContact O-N 2.88Å; V279-R281 VanDerWaalsContact O-CG 3.25Å; V279-R281 WeakPolarHBondContact O-CG 3.46Å; V279-R281 PolarHBondContact O-N 3.33Å; V279-R281 VanDerWaalsContact O-N 3.14Å; R281-E323 IonicContact CZ-OE1 2.7Å; R281-E323 IonicContact CZ-OE2 2.74Å; R281-E323 IonicContact NH2-OE1 3.04Å; R281-E323 PolarHBondContact NH2-OE1 3.44Å; R281-E323 IonicContact NH2-OE2 3.84Å; R281-E323 PolarHBondContact NH2-OE2 3.09Å |
| 282 | R | 87.8 | Confident | 89.9 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | trans | -70.8 | 135 | 179.5 | -68.6 | -175.6 | 58.7 | 170.9 | -1.7 | 109.9 | G277 L280 K284 S291 L292 | G277-R282 PolarHBondContact O-N 3.02Å; L280-R282 HydrophobicContact CB-CG 4.3Å; L280-R282 PolarHBondContact O-N 3.01Å; R282-K284 PolarHBondContact O-N 3.42Å; R282-S291 PolarHBondContact NH2-OG 3.4Å; R282-L292 VanDerWaalsContact NH1-CA 3.3Å | ||
| 283 | A | 83 | Confident | 90.1 | Very high | 90 Ų | 90 | 65 Ų | 65 | 74% | 0.744 | 35% | 0.353 | S | S | * | . | trans | -55.2 | 139.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | S285 | A283-S285 PolarHBondContact O-N 3.09Š| ||
| 284 | K | 84.3 | Confident | 90.2 | Very high | 218 Ų | 218 | 69 Ų | 69 | 95% | 0.948 | 37% | 0.371 | S | S | * | . | trans | -74.8 | 93.6 | -177.8 | -176.6 | -173.7 | 175.2 | -173.2 | 0 | 110.5 | R282 | R282-K284 PolarHBondContact O-N 3.42Š| ||
| 285 | S | 85.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | trans | -105.3 | 154.6 | 174.2 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | A283 N287 G288 | A283-S285 PolarHBondContact O-N 3.09Å; S285-N287 PolarHBondContact O-N 3.3Å; S285-N287 VanDerWaalsContact O-N 3.15Å; S285-G288 PolarHBondContact O-N 3.28Å; S285-G288 WeakPolarHBondContact OG-CA 3.49Å; S285-G288 PolarHBondContact OG-N 3.04Å | ||
| 286 | K | 86.4 | Confident | 90.6 | Very high | 214 Ų | 214 | 67.6 Ų | 67.6 | 93% | 0.93 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -40 | -179 | -174 | 177.7 | -179.7 | 179.4 | 0 | 113.1 | ||
| 287 | N | 88.6 | Confident | 90.6 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.5 | -179.3 | -63.3 | -13 | 0 | 0 | 0 | 113.3 | S285 G289 R290 S291 | S285-N287 PolarHBondContact O-N 3.3Å; S285-N287 VanDerWaalsContact O-N 3.15Å; N287-G289 VanDerWaalsContact C-N 3.29Å; N287-G289 PolarHBondContact O-N 3.39Å; N287-R290 WeakPolarHBondContact O-CA 3.37Å; N287-R290 WeakPolarHBondContact O-CB 2.88Å; N287-R290 PolarHBondContact O-N 3.06Å; N287-S291 PolarHBondContact O-N 3.29Å |
| 288 | G | 88.1 | Confident | 90.6 | Very high | 12 Ų | 12 | 79.6 Ų | 79.6 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58 | -36.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S285 L292 | S285-G288 PolarHBondContact O-N 3.28Å; S285-G288 WeakPolarHBondContact OG-CA 3.49Å; S285-G288 PolarHBondContact OG-N 3.04Å; G288-L292 WeakPolarHBondContact O-CB 3.4Å; G288-L292 PolarHBondContact O-N 2.92Å |
| 289 | G | 89.1 | Confident | 90.5 | Very high | 34 Ų | 34 | 78.7 Ų | 78.7 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70 | -27.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | N287 R293 | N287-G289 VanDerWaalsContact C-N 3.29Å; N287-G289 PolarHBondContact O-N 3.39Å; G289-R293 WeakPolarHBondContact O-CD 3.35Å; G289-R293 WeakPolarHBondContact O-CG 3.44Å; G289-R293 PolarHBondContact O-NE 2.8Å |
| 290 | R | 90.9 | Very high | 90.3 | Very high | 161 Ų | 161 | 79.7 Ų | 79.7 | 61% | 0.608 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -76.8 | -49.6 | 173.7 | -161.6 | -163.7 | -73.8 | 176.8 | -5.3 | 110.4 | N287 L292 R293 E294 | N287-R290 WeakPolarHBondContact O-CA 3.37Å; N287-R290 WeakPolarHBondContact O-CB 2.88Å; N287-R290 PolarHBondContact O-N 3.06Å; R290-L292 PolarHBondContact O-N 3.37Å; R290-L292 VanDerWaalsContact O-N 3.14Å; R290-R293 WeakPolarHBondContact O-CA 3.4Å; R290-R293 WeakPolarHBondContact O-CB 3.5Å; R290-R293 PolarHBondContact O-N 3.21Å; R290-E294 WeakPolarHBondContact CD-OE1 3.33Å; R290-E294 WeakPolarHBondContact CG-OE1 3.45Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 2.99Å |
| 291 | S | 92.2 | Very high | 90.1 | Very high | 35 Ų | 35 | 79.7 Ų | 79.7 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.3 | -24.4 | 172.9 | 168.8 | 0 | 0 | 0 | 0 | 114.1 | R282 N287 E294 K295 | R282-S291 PolarHBondContact NH2-OG 3.4Å; N287-S291 PolarHBondContact O-N 3.29Å; S291-E294 WeakPolarHBondContact CA-OE2 3.25Å; S291-K295 WeakPolarHBondContact O-CG 3.26Å; S291-K295 PolarHBondContact O-N 3.3Å |
| 292 | L | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 170.1 | -175.1 | 59.1 | 0 | 0 | 0 | 111.6 | F238 A273 L276 L280 R282 G288 R290 K295 L296 | F238-L292 HydrophobicContact CE1-CD1 4.25Å; F238-L292 HydrophobicContact CZ-CD1 4.26Å; A273-L292 HydrophobicContact CB-CD2 4.21Å; A273-L292 WeakPolarHBondContact O-CD2 3.46Å; L276-L292 HydrophobicContact CB-CD2 4.27Å; L276-L292 HydrophobicContact CD2-CD2 4.14Å; L276-L292 HydrophobicContact CG-CD2 4.18Å; L280-L292 HydrophobicContact CD1-CD1 3.92Å; R282-L292 VanDerWaalsContact NH1-CA 3.3Å; G288-L292 WeakPolarHBondContact O-CB 3.4Å; G288-L292 PolarHBondContact O-N 2.92Å; R290-L292 PolarHBondContact O-N 3.37Å; R290-L292 VanDerWaalsContact O-N 3.14Å; L292-K295 PolarHBondContact O-N 2.59Å; L292-L296 HydrophobicContact CD1-CD1 4.23Å; L292-L296 HydrophobicContact CD1-CG 4.33Å; L292-L296 HydrophobicContact CG-CD1 3.92Å; L292-L296 HydrophobicContact CG-CG 4.46Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.43Å |
| 293 | R | 92.8 | Very high | 89.9 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.5 | -53 | 176.9 | -65 | 149.4 | -179.5 | -73.8 | -24.4 | 110.8 | G289 R290 K295 L296 D297 L303 P304 A305 | G289-R293 WeakPolarHBondContact O-CD 3.35Å; G289-R293 WeakPolarHBondContact O-CG 3.44Å; G289-R293 PolarHBondContact O-NE 2.8Å; R290-R293 WeakPolarHBondContact O-CA 3.4Å; R290-R293 WeakPolarHBondContact O-CB 3.5Å; R290-R293 PolarHBondContact O-N 3.21Å; R293-K295 PolarHBondContact O-N 3.46Å; R293-L296 CarbonylContact O-C 3.55Å; R293-L296 WeakPolarHBondContact O-CA 3.29Å; R293-L296 PolarHBondContact O-N 3.01Å; R293-D297 PolarHBondContact O-N 2.8Å; R293-L303 VanDerWaalsContact CZ-O 3.27Å; R293-L303 PolarHBondContact NH1-O 2.81Å; R293-L303 PolarHBondContact NH2-O 2.89Å; R293-P304 PolarHBondContact NH1-O 2.91Å; R293-P304 PolarHBondContact NH2-O 3.22Å; R293-A305 VanDerWaalsContact NH1-N 3.14Å |
| 294 | E | 93.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 77.3 Ų | 77.3 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -52.9 | -29.2 | 176.5 | -65.9 | 158.4 | -170.2 | 0 | 0 | 113.6 | R290 S291 K298 | R290-E294 WeakPolarHBondContact CD-OE1 3.33Å; R290-E294 WeakPolarHBondContact CG-OE1 3.45Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 2.99Å; S291-E294 WeakPolarHBondContact CA-OE2 3.25Å; E294-K298 WeakPolarHBondContact O-CD 3.45Å; E294-K298 VanDerWaalsContact O-CG 3.23Å; E294-K298 WeakPolarHBondContact O-CG 3.14Å |
| 295 | K | 92.8 | Very high | 89.9 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 54% | 0.535 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -83.7 | -30 | 173.8 | -78.8 | -165.9 | 172.9 | -155.7 | 0 | 114 | F238 S291 L292 R293 | F238-K295 HydrophobicContact CE2-CB 4.23Å; F238-K295 HydrophobicContact CZ-CB 4.09Å; S291-K295 WeakPolarHBondContact O-CG 3.26Å; S291-K295 PolarHBondContact O-N 3.3Å; L292-K295 PolarHBondContact O-N 2.59Å; R293-K295 PolarHBondContact O-N 3.46Å |
| 296 | L | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -79.5 | -42.3 | 177.1 | -65.9 | 168.9 | 0 | 0 | 0 | 111.1 | F238 V261 L265 L276 L292 R293 K298 I299 G300 L301 L303 | F238-L296 HydrophobicContact CE1-CD2 4.2Å; F238-L296 HydrophobicContact CE2-CD2 4.02Å; F238-L296 HydrophobicContact CZ-CD2 3.65Å; F238-L296 HydrophobicContact CZ-CG 4.19Å; V261-L296 HydrophobicContact CG1-CD2 3.44Å; V261-L296 VanDerWaalsContact CG1-CD2 3.44Å; L265-L296 HydrophobicContact CD1-CD1 4.35Å; L276-L296 HydrophobicContact CD2-CD1 4.08Å; L292-L296 HydrophobicContact CD1-CD1 4.23Å; L292-L296 HydrophobicContact CD1-CG 4.33Å; L292-L296 HydrophobicContact CG-CD1 3.92Å; L292-L296 HydrophobicContact CG-CG 4.46Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.43Å; R293-L296 CarbonylContact O-C 3.55Å; R293-L296 WeakPolarHBondContact O-CA 3.29Å; R293-L296 PolarHBondContact O-N 3.01Å; L296-K298 PolarHBondContact O-N 2.79Å; L296-I299 HydrophobicContact CD2-CD1 4.43Å; L296-I299 CarbonylContact O-C 3.5Å; L296-I299 WeakPolarHBondContact O-CG1 3.47Å; L296-I299 PolarHBondContact O-N 2.99Å; L296-G300 PolarHBondContact O-N 3.18Å; L296-L301 CarbonylContact C-O 3.24Å; L296-L301 VanDerWaalsContact C-O 3.24Å; L296-L301 HydrophobicContact CB-CB 4.14Å; L296-L301 WeakPolarHBondContact CB-O 3.29Å; L296-L301 HydrophobicContact CD2-CB 4.4Å; L296-L301 HydrophobicContact CD2-CD1 4.36Å; L296-L301 PolarHBondContact O-N 2.88Å; L296-L303 HydrophobicContact CD1-CB 3.96Å; L296-L303 HydrophobicContact CD1-CD2 3.63Å; L296-L303 HydrophobicContact CD1-CG 4.47Å |
| 297 | D | 92.8 | Very high | 89.1 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 176.9 | -58.5 | -41.5 | 0 | 0 | 0 | 110.7 | R293 I299 G300 | R293-D297 PolarHBondContact O-N 2.8Å; D297-I299 PolarHBondContact O-N 2.92Å; D297-G300 PolarHBondContact O-N 2.6Å; D297-G300 VanDerWaalsContact O-N 3.14Å |
| 298 | K | 92.7 | Very high | 88.3 | Confident | 181 Ų | 181 | 70.6 Ų | 70.6 | 79% | 0.787 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.4 | 172.8 | -82.9 | -179.7 | 179.7 | -168 | 0 | 115.2 | E294 L296 | E294-K298 WeakPolarHBondContact O-CD 3.45Å; E294-K298 VanDerWaalsContact O-CG 3.23Å; E294-K298 WeakPolarHBondContact O-CG 3.14Å; L296-K298 PolarHBondContact O-N 2.79Å |
| 299 | I | 91.9 | Very high | 87.3 | Confident | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 17.6 | 176.3 | 62.6 | 163.7 | 0 | 0 | 0 | 112.4 | V231 S232 F238 V258 L296 D297 L301 | V231-I299 WeakPolarHBondContact CA-O 3.31Å; S232-I299 PolarHBondContact N-O 3.44Å; S232-I299 WeakPolarHBondContact OG-CA 3.11Å; S232-I299 WeakPolarHBondContact OG-CB 3.35Å; S232-I299 WeakPolarHBondContact OG-CG2 3.48Å; F238-I299 HydrophobicContact CD2-CD1 3.57Å; F238-I299 HydrophobicContact CE2-CD1 3.74Å; F238-I299 HydrophobicContact CE2-CG1 4.47Å; V258-I299 HydrophobicContact CG1-CD1 4.21Å; V258-I299 HydrophobicContact CG2-CD1 3.91Å; L296-I299 HydrophobicContact CD2-CD1 4.43Å; L296-I299 CarbonylContact O-C 3.5Å; L296-I299 WeakPolarHBondContact O-CG1 3.47Å; L296-I299 PolarHBondContact O-N 2.99Å; D297-I299 PolarHBondContact O-N 2.92Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 HydrophobicContact CD1-CD1 3.77Å; I299-L301 HydrophobicContact CD1-CG 4.09Å; I299-L301 HydrophobicContact CG1-CB 4.32Å; I299-L301 HydrophobicContact CG1-CD1 4.35Å; I299-L301 HydrophobicContact CG1-CG 4.12Å; I299-L301 PolarHBondContact O-N 2.94Å |
| 300 | G | 89.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 78 Ų | 78 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 8.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L296 D297 | L296-G300 PolarHBondContact O-N 3.18Å; D297-G300 PolarHBondContact O-N 2.6Å; D297-G300 VanDerWaalsContact O-N 3.14Å |
| 301 | L | 90.9 | Very high | 84.9 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | trans | -99.3 | 101.5 | -178.3 | -64.3 | -171.2 | 0 | 0 | 0 | 112.3 | V231 V258 V261 Q262 L296 I299 | V231-L301 HydrophobicContact CG1-CD2 3.79Å; V231-L301 HydrophobicContact CG1-CG 4.43Å; V231-L301 HydrophobicContact CG2-CD2 4.28Å; V258-L301 HydrophobicContact CG1-CD1 4.28Å; V261-L301 HydrophobicContact CB-CD1 4.28Å; V261-L301 HydrophobicContact CG1-CD1 3.87Å; Q262-L301 HydrophobicContact CB-CD1 4.05Å; Q262-L301 HydrophobicContact CB-CD2 3.92Å; Q262-L301 HydrophobicContact CG-CD2 3.77Å; L296-L301 CarbonylContact C-O 3.24Å; L296-L301 VanDerWaalsContact C-O 3.24Å; L296-L301 HydrophobicContact CB-CB 4.14Å; L296-L301 WeakPolarHBondContact CB-O 3.29Å; L296-L301 HydrophobicContact CD2-CB 4.4Å; L296-L301 HydrophobicContact CD2-CD1 4.36Å; L296-L301 PolarHBondContact O-N 2.88Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 HydrophobicContact CD1-CD1 3.77Å; I299-L301 HydrophobicContact CD1-CG 4.09Å; I299-L301 HydrophobicContact CG1-CB 4.32Å; I299-L301 HydrophobicContact CG1-CD1 4.35Å; I299-L301 HydrophobicContact CG1-CG 4.12Å; I299-L301 PolarHBondContact O-N 2.94Å | ||
| 302 | N | 88.6 | Confident | 84.3 | Confident | 123 Ų | 123 | 76.3 Ų | 76.3 | 66% | 0.658 | 41% | 0.41 | S | S | * | . | trans | -74.4 | 128.9 | 174.8 | -178.2 | -13 | 0 | 0 | 0 | 112 | ||||
| 303 | L | 88 | Confident | 84.1 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | trans | -120.9 | 101.8 | 170.6 | 173.8 | 46.7 | 0 | 0 | 0 | 110.8 | L265 A273 L276 R293 L296 | L265-L303 HydrophobicContact CD1-CB 4.34Å; L265-L303 HydrophobicContact CD2-CD1 3.89Å; L265-L303 HydrophobicContact CD2-CD2 4.07Å; L265-L303 HydrophobicContact CD2-CG 4.42Å; A273-L303 HydrophobicContact CB-CD2 3.77Å; A273-L303 HydrophobicContact CB-CG 4.47Å; L276-L303 HydrophobicContact CD2-CD2 4.39Å; R293-L303 VanDerWaalsContact CZ-O 3.27Å; R293-L303 PolarHBondContact NH1-O 2.81Å; R293-L303 PolarHBondContact NH2-O 2.89Å; L296-L303 HydrophobicContact CD1-CB 3.96Å; L296-L303 HydrophobicContact CD1-CD2 3.63Å; L296-L303 HydrophobicContact CD1-CG 4.47Å | ||
| 304 | P | 83.5 | Confident | 84 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | -64.7 | 152.6 | -171.9 | 22.6 | -33.5 | 0 | 0 | 0 | 114.5 | R293 | R293-P304 PolarHBondContact NH1-O 2.91Å; R293-P304 PolarHBondContact NH2-O 3.22Å | ||
| 305 | A | 83.1 | Confident | 84 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 67% | 0.669 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 154.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R293 R307 | R293-A305 VanDerWaalsContact NH1-N 3.14Å; A305-R307 PolarHBondContact O-N 3.34Å |
| 306 | G | 75.7 | Confident | 84.1 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 0.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | R308 | G306-R308 PolarHBondContact O-N 3.1Š|
| 307 | R | 80.1 | Confident | 84.1 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 29% | 0.294 | 45% | 0.447 | S | S | . | . | trans | -52.7 | 110.2 | 180 | -176 | -172.5 | -86.8 | -162.7 | -6.4 | 111 | L265 C270 L271 N272 A305 | L265-R307 PolarHBondContact O-NH1 3.23Å; C270-R307 PolarHBondContact O-NH1 2.82Å; L271-R307 PolarHBondContact O-NH1 2.98Å; N272-R307 WeakPolarHBondContact CB-O 3.48Å; A305-R307 PolarHBondContact O-N 3.34Å | ||
| 308 | R | 72 | Confident | 84.2 | Confident | 224 Ų | 224 | 77.7 Ų | 77.7 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | trans | -66.5 | 156.2 | 176.4 | -63.5 | -177.1 | 179.6 | -177.1 | 0.1 | 110.4 | G306 A310 | G306-R308 PolarHBondContact O-N 3.1Å; R308-A310 PolarHBondContact O-N 3.47Å | ||
| 309 | K | 67.3 | Low | 84.3 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | trans | -62.9 | 119.8 | 175.5 | 176.2 | 179.2 | 172.7 | 177.4 | 0 | 109.4 | L275 A311 | L275-K309 HydrophobicContact CD1-CG 4.5Å; K309-A311 WeakPolarHBondContact CE-O 3.5Å; K309-A311 WeakPolarHBondContact CG-O 3.35Å | ||
| 310 | A | 62.9 | Low | 84.5 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | trans | -95.8 | -50.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C270 R308 | C270-A310 HydrophobicContact CB-CB 3.84Å; R308-A310 PolarHBondContact O-N 3.47Å | ||
| 311 | A | 65.8 | Low | 84.8 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 21% | 0.207 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -86.9 | 155.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E269 K309 | E269-A311 VanDerWaalsContact O-CB 3.31Å; E269-A311 WeakPolarHBondContact O-CB 3.44Å; K309-A311 WeakPolarHBondContact CE-O 3.5Å; K309-A311 WeakPolarHBondContact CG-O 3.35Å |
| 312 | N | 80.7 | Confident | 85 | Confident | 136 Ų | 136 | 68.8 Ų | 68.8 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 138 | 159.9 | -75 | -29.9 | 0 | 0 | 0 | 109.1 | ||
| 313 | V | 86.9 | Confident | 85.3 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 123.9 | 178.7 | 167.5 | 0 | 0 | 0 | 0 | 106.9 | L275 T317 | L275-V313 HydrophobicContact CD1-CG2 4.05Å; L275-V313 HydrophobicContact CD2-CG2 4.11Å; V313-T317 HydrophobicContact CG1-CG2 4.26Å; V313-T317 HydrophobicContact CG2-CG2 4.34Å |
| 314 | T | 91.7 | Very high | 85.7 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | trans | -109.9 | 179.6 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 110 | L316 T317 | T314-L316 VanDerWaalsContact C-N 3.28Å; T314-L316 PolarHBondContact OG1-N 3.38Å; T314-T317 PolarHBondContact N-OG1 2.98Å; T314-T317 WeakPolarHBondContact O-CB 3.49Å; T314-T317 PolarHBondContact O-N 3.06Å; T314-T317 PolarHBondContact OG1-N 3.29Å; T314-T317 PolarHBondContact OG1-OG1 2.87Å | ||
| 315 | L | 94.1 | Very high | 86.3 | Confident | 153 Ų | 153 | 64.1 Ų | 64.1 | 80% | 0.801 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -64.1 | -34.9 | 170.6 | -61.9 | 179.6 | 0 | 0 | 0 | 111.8 | T317 S318 | L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 2.89Å; L315-S318 VanDerWaalsContact O-CB 3.27Å; L315-S318 WeakPolarHBondContact O-CB 3.42Å; L315-S318 PolarHBondContact O-N 3.34Å; L315-S318 PolarHBondContact O-OG 3.16Å |
| 316 | L | 94.8 | Very high | 86.9 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -62.7 | -38.3 | 176.3 | -60.5 | 176.7 | 0 | 0 | 0 | 111.4 | T314 S318 L319 T410 H411 F413 | T314-L316 VanDerWaalsContact C-N 3.28Å; T314-L316 PolarHBondContact OG1-N 3.38Å; L316-S318 PolarHBondContact O-N 3.16Å; L316-L319 HydrophobicContact CD2-CD1 4.14Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 2.98Å; L316-T410 HydrophobicContact CD1-CG2 3.83Å; L316-H411 PolarHBondContact O-CD2 3.37Å; L316-H411 PolarHBondContact O-NE2 2.99Å; L316-F413 HydrophobicContact CD2-CD1 4.18Å |
| 317 | T | 93.9 | Very high | 87.9 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -56.9 | -15.2 | 173.2 | -40.9 | 0 | 0 | 0 | 0 | 113.7 | R264 L271 V279 V313 T314 L315 H411 | R264-T317 PolarHBondContact NH2-O 2.73Å; R264-T317 VanDerWaalsContact NH2-O 3.1Å; L271-T317 HydrophobicContact CD2-CG2 4.33Å; V279-T317 WeakPolarHBondContact CG2-O 3.46Å; V313-T317 HydrophobicContact CG1-CG2 4.26Å; V313-T317 HydrophobicContact CG2-CG2 4.34Å; T314-T317 PolarHBondContact N-OG1 2.98Å; T314-T317 WeakPolarHBondContact O-CB 3.49Å; T314-T317 PolarHBondContact O-N 3.06Å; T314-T317 PolarHBondContact OG1-N 3.29Å; T314-T317 PolarHBondContact OG1-OG1 2.87Å; L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 2.89Å; T317-H411 WeakPolarHBondContact CA-NE2 3.43Å |
| 318 | S | 93.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 59 Ų | 59 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -82.4 | -24.6 | 175.4 | 82.2 | 0 | 0 | 0 | 0 | 113.8 | R244 L315 L316 | R244-S318 VanDerWaalsContact CZ-O 3.24Å; R244-S318 PolarHBondContact NE-O 3.08Å; R244-S318 PolarHBondContact NH2-O 3.08Å; L315-S318 VanDerWaalsContact O-CB 3.27Å; L315-S318 WeakPolarHBondContact O-CB 3.42Å; L315-S318 PolarHBondContact O-N 3.34Å; L315-S318 PolarHBondContact O-OG 3.16Å; L316-S318 PolarHBondContact O-N 3.16Å |
| 319 | L | 95.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -78 | 152.7 | -179.1 | -56.4 | 178.2 | 0 | 0 | 0 | 111 | L245 R264 L316 E323 A324 L327 | L245-L319 HydrophobicContact CD1-CD2 4.41Å; R264-L319 PolarHBondContact NH1-O 2.88Å; R264-L319 PolarHBondContact NH2-O 3.42Å; L316-L319 HydrophobicContact CD2-CD1 4.14Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 2.98Å; L319-E323 HydrophobicContact CB-CB 4.25Å; L319-E323 HydrophobicContact CD2-CB 4.23Å; L319-A324 HydrophobicContact CB-CB 4.46Å; L319-A324 HydrophobicContact CD1-CB 4.18Å; L319-L327 HydrophobicContact CD1-CD2 4.22Å |
| 320 | V | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -91.4 | 160.8 | 158.9 | -58 | 0 | 0 | 0 | 0 | 110.6 | V241 Y254 V256 E260 V279 G322 E323 A324 | V241-V320 HydrophobicContact CG2-CG1 4.06Å; V241-V320 HydrophobicContact CG2-CG2 3.86Å; Y254-V320 HydrophobicContact CG-CG2 4.38Å; V256-V320 HydrophobicContact CG2-CB 4.08Å; V256-V320 HydrophobicContact CG2-CG1 3.7Å; V256-V320 HydrophobicContact CG2-CG2 4.31Å; E260-V320 WeakPolarHBondContact OE1-CA 3.4Å; E260-V320 WeakPolarHBondContact OE1-CB 3.42Å; V279-V320 HydrophobicContact CG1-CG1 3.83Å; V320-G322 VanDerWaalsContact C-N 3.26Å; V320-G322 PolarHBondContact O-N 3.47Å; V320-E323 HydrophobicContact CG2-CB 4.45Å; V320-E323 HydrophobicContact CG2-CG 3.85Å; V320-E323 PolarHBondContact N-OE2 2.96Å; V320-E323 WeakPolarHBondContact O-CB 3.34Å; V320-E323 PolarHBondContact O-N 3.38Å; V320-A324 PolarHBondContact O-N 3.21Å; V320-A324 VanDerWaalsContact O-N 3.08Å | ||
| 321 | E | 95.6 | Very high | 93 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.3 | -38.8 | -173.6 | -78.1 | 167.4 | -124.3 | 0 | 0 | 113 | E260 R263 E323 A324 V325 G387 H411 | E260-E321 VanDerWaalsContact CB-OE1 3.28Å; E260-E321 WeakPolarHBondContact CB-OE1 3.36Å; E260-E321 HydrophobicContact CG-CG 4.46Å; E260-E321 WeakPolarHBondContact CG-OE1 3.25Å; E260-E321 PolarHBondContact OE1-N 3.11Å; E260-E321 VanDerWaalsContact OE1-N 3.16Å; E260-E321 PolarHBondContact OE2-N 3.45Å; R263-E321 IonicContact CZ-OE1 3.89Å; R263-E321 IonicContact NE-OE1 3.06Å; R263-E321 PolarHBondContact NE-OE1 2.93Å; R263-E321 IonicContact NE-OE2 3.49Å; R263-E321 IonicContact NH2-OE1 3.52Å; R263-E321 PolarHBondContact NH2-OE1 3.47Å; E321-E323 VanDerWaalsContact C-N 3.25Å; E321-E323 PolarHBondContact O-N 3.25Å; E321-A324 PolarHBondContact O-N 3.08Å; E321-V325 WeakPolarHBondContact O-CG2 3.29Å; E321-V325 PolarHBondContact O-N 3.3Å; E321-G387 WeakPolarHBondContact OE2-CA 3.26Å; E321-G387 PolarHBondContact OE2-N 3.16Å; E321-H411 HydrophobicContact CG-CB 3.84Å |
| 322 | G | 94.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -29.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y254 V320 H326 | Y254-G322 WeakPolarHBondContact CD1-O 3.32Å; Y254-G322 VanDerWaalsContact CE1-O 3.26Å; Y254-G322 WeakPolarHBondContact CE1-O 3.42Å; V320-G322 VanDerWaalsContact C-N 3.26Å; V320-G322 PolarHBondContact O-N 3.47Å; G322-H326 WeakPolarHBondContact O-CB 3.49Å; G322-H326 PolarHBondContact O-N 2.73Å |
| 323 | E | 95.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.2 | -42.5 | 174.5 | -66.9 | 178.6 | 105.6 | 0 | 0 | 111.7 | G243 R244 Y254 R281 L319 V320 E321 V325 H326 L327 | G243-E323 WeakPolarHBondContact CA-OE1 3.35Å; R244-E323 PolarHBondContact N-OE1 2.78Å; Y254-E323 HydrophobicContact CD1-CG 4.02Å; Y254-E323 HydrophobicContact CD2-CG 3.47Å; Y254-E323 VanDerWaalsContact CD2-CG 3.47Å; Y254-E323 HydrophobicContact CE1-CG 4.11Å; Y254-E323 HydrophobicContact CE2-CG 3.58Å; Y254-E323 HydrophobicContact CG-CG 3.7Å; R281-E323 IonicContact CZ-OE1 2.7Å; R281-E323 IonicContact CZ-OE2 2.74Å; R281-E323 IonicContact NH2-OE1 3.04Å; R281-E323 PolarHBondContact NH2-OE1 3.44Å; R281-E323 IonicContact NH2-OE2 3.84Å; R281-E323 PolarHBondContact NH2-OE2 3.09Å; L319-E323 HydrophobicContact CB-CB 4.25Å; L319-E323 HydrophobicContact CD2-CB 4.23Å; V320-E323 HydrophobicContact CG2-CB 4.45Å; V320-E323 HydrophobicContact CG2-CG 3.85Å; V320-E323 PolarHBondContact N-OE2 2.96Å; V320-E323 WeakPolarHBondContact O-CB 3.34Å; V320-E323 PolarHBondContact O-N 3.38Å; E321-E323 VanDerWaalsContact C-N 3.25Å; E321-E323 PolarHBondContact O-N 3.25Å; E323-V325 PolarHBondContact O-N 2.79Å; E323-H326 PolarHBondContact O-N 2.93Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.27Å |
| 324 | A | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L319 V320 E321 A328 H411 F413 | L319-A324 HydrophobicContact CB-CB 4.46Å; L319-A324 HydrophobicContact CD1-CB 4.18Å; V320-A324 PolarHBondContact O-N 3.21Å; V320-A324 VanDerWaalsContact O-N 3.08Å; E321-A324 PolarHBondContact O-N 3.08Å; A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 3.24Å; A324-A328 VanDerWaalsContact O-N 3.09Å; A324-H411 HydrophobicContact CB-CB 3.89Å; A324-H411 VanDerWaalsContact CB-O 3.32Å; A324-H411 WeakPolarHBondContact CB-O 3.46Å; A324-F413 HydrophobicContact CB-CB 4.08Å |
| 325 | V | 94.8 | Very high | 96.2 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | E321 E323 R329 | E321-V325 WeakPolarHBondContact O-CG2 3.29Å; E321-V325 PolarHBondContact O-N 3.3Å; E323-V325 PolarHBondContact O-N 2.79Å; V325-R329 PolarHBondContact O-N 2.92Å |
| 326 | H | 95.5 | Very high | 96.3 | Very high | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.9 | -49.3 | 175.2 | -159.5 | 179.7 | 0 | 0 | 0 | 110.9 | Y254 G322 E323 A328 R329 D330 | Y254-H326 HydrophobicContact CE1-CB 4.25Å; Y254-H326 AromaticContact CE1-ND1 3.89Å; Y254-H326 AromaticContact CZ-ND1 3.85Å; Y254-H326 PolarHBondContact OH-ND1 3.09Å; G322-H326 WeakPolarHBondContact O-CB 3.49Å; G322-H326 PolarHBondContact O-N 2.73Å; E323-H326 PolarHBondContact O-N 2.93Å; H326-A328 PolarHBondContact O-N 3.17Å; H326-R329 WeakPolarHBondContact O-CA 3.49Å; H326-R329 WeakPolarHBondContact O-CB 3.21Å; H326-R329 PolarHBondContact O-N 3.36Å; H326-D330 IonicContact CD2-OD1 3.75Å; H326-D330 PolarHBondContact CD2-OD1 3.04Å; H326-D330 IonicContact CD2-OD2 2.73Å; H326-D330 IonicContact NE2-OD1 2.71Å; H326-D330 VanDerWaalsContact O-CG 3.28Å; H326-D330 PolarHBondContact O-N 3.36Å |
| 327 | L | 97 | Very high | 96.4 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.7 | -36.7 | 176.2 | 177.9 | 66.6 | 0 | 0 | 0 | 112.4 | L245 L319 E323 F331 F413 | L245-L327 HydrophobicContact CD1-CD1 3.92Å; L245-L327 HydrophobicContact CD1-CD2 3.99Å; L245-L327 HydrophobicContact CD1-CG 4.38Å; L319-L327 HydrophobicContact CD1-CD2 4.22Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.27Å; L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.36Å; L327-F331 PolarHBondContact O-N 3.5Å; L327-F413 HydrophobicContact CB-CD2 4.3Å; L327-F413 HydrophobicContact CD2-CD2 3.98Å; L327-F413 HydrophobicContact CD2-CE2 3.91Å; L327-F413 HydrophobicContact CG-CD2 3.99Å; L327-F413 HydrophobicContact CG-CE2 3.77Å |
| 328 | A | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A324 H326 G332 F413 P416 | A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 3.24Å; A324-A328 VanDerWaalsContact O-N 3.09Å; H326-A328 PolarHBondContact O-N 3.17Å; A328-G332 PolarHBondContact O-N 3.22Å; A328-F413 HydrophobicContact CB-CD2 3.75Å; A328-F413 HydrophobicContact CB-CE2 4.31Å; A328-P416 HydrophobicContact CB-CB 4.18Å |
| 329 | R | 96.8 | Very high | 96.8 | Very high | 174 Ų | 174 | 60.2 Ų | 60.2 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.3 | -48.3 | 173.3 | -179.6 | -169.7 | -63.4 | 176.7 | -2.5 | 110.9 | V325 H326 F331 G332 Y333 | V325-R329 PolarHBondContact O-N 2.92Å; H326-R329 WeakPolarHBondContact O-CA 3.49Å; H326-R329 WeakPolarHBondContact O-CB 3.21Å; H326-R329 PolarHBondContact O-N 3.36Å; R329-F331 VanDerWaalsContact C-N 3.33Å; R329-F331 PolarHBondContact O-N 3.48Å; R329-G332 WeakPolarHBondContact O-CA 3.45Å; R329-G332 PolarHBondContact O-N 3.48Å; R329-G332 VanDerWaalsContact O-N 3.08Å; R329-Y333 PolarHBondContact O-N 3.49Å |
| 330 | D | 96.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 63.3 Ų | 63.3 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | -176.6 | -56.9 | -11.9 | 0 | 0 | 0 | 110.6 | H326 Y333 V334 | H326-D330 IonicContact CD2-OD1 3.75Å; H326-D330 PolarHBondContact CD2-OD1 3.04Å; H326-D330 IonicContact CD2-OD2 2.73Å; H326-D330 IonicContact NE2-OD1 2.71Å; H326-D330 VanDerWaalsContact O-CG 3.28Å; H326-D330 PolarHBondContact O-N 3.36Å; D330-Y333 PolarHBondContact O-N 2.8Å; D330-V334 WeakPolarHBondContact O-CG2 3.46Å; D330-V334 PolarHBondContact O-N 3.05Å; D330-V334 VanDerWaalsContact O-N 3.09Å |
| 331 | F | 98.3 | Very high | 97 | Very high | 84 Ų | 84 | 63.8 Ų | 63.8 | 37% | 0.368 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 170.4 | -179.8 | -104.7 | 0 | 0 | 0 | 112.4 | L327 R329 V334 C335 A417 A420 | L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.36Å; L327-F331 PolarHBondContact O-N 3.5Å; R329-F331 VanDerWaalsContact C-N 3.33Å; R329-F331 PolarHBondContact O-N 3.48Å; F331-V334 PolarHBondContact O-N 2.94Å; F331-C335 VanDerWaalsContact CE1-SG 3.55Å; F331-C335 WeakPolarHBondContact CZ-SG 3.41Å; F331-C335 VanDerWaalsContact O-CB 3.29Å; F331-C335 WeakPolarHBondContact O-CB 3.48Å; F331-C335 PolarHBondContact O-N 3.44Å; F331-C335 PolarHBondContact O-SG 3.25Å; F331-A417 HydrophobicContact CD1-CB 4.01Å; F331-A417 HydrophobicContact CE1-CB 4.23Å; F331-A417 WeakPolarHBondContact CE1-O 3.42Å; F331-A420 HydrophobicContact CD1-CB 4.03Å; F331-A420 HydrophobicContact CE1-CB 4.07Å |
| 332 | G | 98.3 | Very high | 97 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A328 R329 C335 E336 | A328-G332 PolarHBondContact O-N 3.22Å; R329-G332 WeakPolarHBondContact O-CA 3.45Å; R329-G332 PolarHBondContact O-N 3.48Å; R329-G332 VanDerWaalsContact O-N 3.08Å; G332-C335 WeakPolarHBondContact O-CB 3.35Å; G332-C335 PolarHBondContact O-N 3.38Å; G332-E336 PolarHBondContact O-N 3.45Å; G332-E336 VanDerWaalsContact O-N 3.11Å |
| 333 | Y | 98.3 | Very high | 97.1 | Very high | 145 Ų | 145 | 69.9 Ų | 69.9 | 57% | 0.569 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.9 | -50.1 | 175.9 | 178.1 | -91.7 | 0 | 0 | 0 | 111.6 | R329 D330 C335 E336 T337 | R329-Y333 PolarHBondContact O-N 3.49Å; D330-Y333 PolarHBondContact O-N 2.8Å; Y333-C335 VanDerWaalsContact C-N 3.29Å; Y333-C335 PolarHBondContact O-N 3.17Å; Y333-E336 WeakPolarHBondContact O-CA 3.32Å; Y333-E336 WeakPolarHBondContact O-CB 3.47Å; Y333-E336 PolarHBondContact O-N 3.04Å; Y333-T337 HydrophobicContact CD1-CG2 4.48Å; Y333-T337 HydrophobicContact CD2-CG2 4.23Å; Y333-T337 HydrophobicContact CE1-CG2 4.06Å; Y333-T337 HydrophobicContact CE2-CG2 3.81Å; Y333-T337 PolarHBondContact O-N 3.35Å; Y333-T337 PolarHBondContact O-OG1 2.94Å |
| 334 | V | 98.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 72.4 Ų | 72.4 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | D330 F331 E336 E338 F339 | D330-V334 WeakPolarHBondContact O-CG2 3.46Å; D330-V334 PolarHBondContact O-N 3.05Å; D330-V334 VanDerWaalsContact O-N 3.09Å; F331-V334 PolarHBondContact O-N 2.94Å; V334-E336 PolarHBondContact O-N 3.02Å; V334-E338 HydrophobicContact CB-CG 4.5Å; V334-E338 HydrophobicContact CG1-CB 4.08Å; V334-E338 HydrophobicContact CG1-CG 3.97Å; V334-E338 WeakPolarHBondContact O-CB 3.44Å; V334-E338 PolarHBondContact O-N 3.25Å; V334-E338 VanDerWaalsContact O-N 3.08Å; V334-F339 PolarHBondContact O-N 3.35Å |
| 335 | C | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 11% | 0.108 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.1 | -20.3 | 172.5 | -81.8 | 0 | 0 | 0 | 0 | 114 | F331 G332 Y333 F339 A420 S424 | F331-C335 VanDerWaalsContact CE1-SG 3.55Å; F331-C335 WeakPolarHBondContact CZ-SG 3.41Å; F331-C335 VanDerWaalsContact O-CB 3.29Å; F331-C335 WeakPolarHBondContact O-CB 3.48Å; F331-C335 PolarHBondContact O-N 3.44Å; F331-C335 PolarHBondContact O-SG 3.25Å; G332-C335 WeakPolarHBondContact O-CB 3.35Å; G332-C335 PolarHBondContact O-N 3.38Å; Y333-C335 VanDerWaalsContact C-N 3.29Å; Y333-C335 PolarHBondContact O-N 3.17Å; C335-F339 WeakPolarHBondContact O-CB 3.24Å; C335-A420 HydrophobicContact CB-CB 4.11Å; C335-S424 VanDerWaalsContact CB-OG 3.25Å; C335-S424 WeakPolarHBondContact CB-OG 3.06Å; C335-S424 PolarHBondContact O-OG 2.88Å |
| 336 | E | 95.7 | Very high | 96.9 | Very high | 141 Ų | 141 | 72.5 Ų | 72.5 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -96.9 | -43.4 | 180 | -175.1 | 167.2 | -155.3 | 0 | 0 | 112.3 | G332 Y333 V334 | G332-E336 PolarHBondContact O-N 3.45Å; G332-E336 VanDerWaalsContact O-N 3.11Å; Y333-E336 WeakPolarHBondContact O-CA 3.32Å; Y333-E336 WeakPolarHBondContact O-CB 3.47Å; Y333-E336 PolarHBondContact O-N 3.04Å; V334-E336 PolarHBondContact O-N 3.02Å |
| 337 | T | 97.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 77.2 Ų | 77.2 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -89.7 | -43 | -176.2 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | Y333 | Y333-T337 HydrophobicContact CD1-CG2 4.48Å; Y333-T337 HydrophobicContact CD2-CG2 4.23Å; Y333-T337 HydrophobicContact CE1-CG2 4.06Å; Y333-T337 HydrophobicContact CE2-CG2 3.81Å; Y333-T337 PolarHBondContact O-N 3.35Å; Y333-T337 PolarHBondContact O-OG1 2.94Å |
| 338 | E | 97.8 | Very high | 96.3 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -17.1 | -169.8 | -48.8 | -49.4 | 123 | 0 | 0 | 113.7 | V334 P340 | V334-E338 HydrophobicContact CB-CG 4.5Å; V334-E338 HydrophobicContact CG1-CB 4.08Å; V334-E338 HydrophobicContact CG1-CG 3.97Å; V334-E338 WeakPolarHBondContact O-CB 3.44Å; V334-E338 PolarHBondContact O-N 3.25Å; V334-E338 VanDerWaalsContact O-N 3.08Å; E338-P340 WeakPolarHBondContact O-CD 3.46Å |
| 339 | F | 97.9 | Very high | 95.4 | Very high | 81 Ų | 81 | 79.8 Ų | 79.8 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | trans | -70.7 | 118.6 | -173.8 | -175.5 | -96.2 | 0 | 0 | 0 | 111.7 | V334 C335 A341 I344 S424 | V334-F339 PolarHBondContact O-N 3.35Å; C335-F339 WeakPolarHBondContact O-CB 3.24Å; F339-A341 HydrophobicContact CD1-CB 3.92Å; F339-A341 HydrophobicContact CE1-CB 4.08Å; F339-A341 PolarHBondContact O-N 3.25Å; F339-I344 HydrophobicContact CE1-CD1 4.1Å; F339-I344 HydrophobicContact CE2-CD1 4.3Å; F339-I344 HydrophobicContact CZ-CD1 3.74Å; F339-S424 WeakPolarHBondContact CE1-O 3.45Å | ||
| 340 | P | 97.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 79.4 Ų | 79.4 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | trans | -82.8 | 48.6 | -166.1 | 34.1 | -36.6 | 0 | 0 | 0 | 113.5 | E338 K342 A343 I344 | E338-P340 WeakPolarHBondContact O-CD 3.46Å; P340-K342 VanDerWaalsContact C-N 3.29Å; P340-K342 PolarHBondContact O-N 2.98Å; P340-K342 VanDerWaalsContact O-N 3.17Å; P340-A343 HydrophobicContact CB-CB 4.35Å; P340-A343 PolarHBondContact O-N 3.5Å; P340-I344 HydrophobicContact CG-CD1 3.98Å; P340-I344 HydrophobicContact CG-CG1 4.27Å; P340-I344 WeakPolarHBondContact O-CG1 3.11Å; P340-I344 PolarHBondContact O-N 3.22Å | ||
| 341 | A | 97.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 81.6 Ų | 81.6 | 8% | 0.083 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -46.1 | -47.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F339 A345 N427 | F339-A341 HydrophobicContact CD1-CB 3.92Å; F339-A341 HydrophobicContact CE1-CB 4.08Å; F339-A341 PolarHBondContact O-N 3.25Å; A341-A345 WeakPolarHBondContact O-CB 3.44Å; A341-A345 PolarHBondContact O-N 3.29Å; A341-N427 HydrophobicContact CB-CB 4.06Å |
| 342 | K | 96.3 | Very high | 90.7 | Very high | 117 Ų | 117 | 86.6 Ų | 86.6 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 178.6 | -179 | -174.6 | 166 | -169.1 | 0 | 112.1 | P340 I344 A345 E346 E431 | P340-K342 VanDerWaalsContact C-N 3.29Å; P340-K342 PolarHBondContact O-N 2.98Å; P340-K342 VanDerWaalsContact O-N 3.17Å; K342-I344 VanDerWaalsContact C-N 3.35Å; K342-I344 PolarHBondContact O-N 3.36Å; K342-A345 WeakPolarHBondContact O-CB 3.23Å; K342-A345 PolarHBondContact O-N 3.27Å; K342-E346 VanDerWaalsContact CE-CD 3.44Å; K342-E346 WeakPolarHBondContact CE-OE1 3.4Å; K342-E346 HydrophobicContact CG-CG 4.37Å; K342-E346 IonicContact NZ-OE1 2.68Å; K342-E346 WeakPolarHBondContact O-CG 3.21Å; K342-E346 PolarHBondContact O-N 3.21Å; K342-E431 HydrophobicContact CB-CG 4.03Å |
| 343 | A | 96.8 | Very high | 88.9 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | P340 E346 Y347 | P340-A343 HydrophobicContact CB-CB 4.35Å; P340-A343 PolarHBondContact O-N 3.5Å; A343-E346 PolarHBondContact O-N 3.09Å; A343-Y347 WeakPolarHBondContact O-CB 3.19Å; A343-Y347 PolarHBondContact O-N 2.97Å |
| 344 | I | 96.1 | Very high | 87.1 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 30% | 0.297 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 172.4 | -65.3 | 167.3 | 0 | 0 | 0 | 110.2 | F339 P340 K342 Y347 L348 Y428 | F339-I344 HydrophobicContact CE1-CD1 4.1Å; F339-I344 HydrophobicContact CE2-CD1 4.3Å; F339-I344 HydrophobicContact CZ-CD1 3.74Å; P340-I344 HydrophobicContact CG-CD1 3.98Å; P340-I344 HydrophobicContact CG-CG1 4.27Å; P340-I344 WeakPolarHBondContact O-CG1 3.11Å; P340-I344 PolarHBondContact O-N 3.22Å; K342-I344 VanDerWaalsContact C-N 3.35Å; K342-I344 PolarHBondContact O-N 3.36Å; I344-Y347 PolarHBondContact O-N 2.88Å; I344-L348 HydrophobicContact CG2-CD1 3.87Å; I344-L348 WeakPolarHBondContact O-CB 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.4Å; I344-L348 PolarHBondContact O-N 2.96Å; I344-Y428 HydrophobicContact CB-CD2 4.22Å; I344-Y428 HydrophobicContact CG2-CD2 3.74Å; I344-Y428 HydrophobicContact CG2-CE2 3.83Å |
| 345 | A | 94.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 91 Ų | 91 | 2% | 0.017 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A341 K342 Y347 L348 G349 Y428 E431 A432 Q435 | A341-A345 WeakPolarHBondContact O-CB 3.44Å; A341-A345 PolarHBondContact O-N 3.29Å; K342-A345 WeakPolarHBondContact O-CB 3.23Å; K342-A345 PolarHBondContact O-N 3.27Å; A345-Y347 PolarHBondContact O-N 3.07Å; A345-L348 PolarHBondContact O-N 2.98Å; A345-G349 PolarHBondContact O-N 3.21Å; A345-Y428 HydrophobicContact CB-CD2 4.01Å; A345-Y428 HydrophobicContact CB-CE2 4.08Å; A345-E431 HydrophobicContact CB-CB 3.76Å; A345-A432 HydrophobicContact CB-CB 4.3Å; A345-Q435 PolarHBondContact O-OE1 2.92Å; A345-Q435 VanDerWaalsContact O-OE1 3.13Å |
| 346 | E | 91.8 | Very high | 84 | Confident | 77 Ų | 77 | 96.5 Ų | 96.5 | 36% | 0.36 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -19.4 | 179.1 | -70.5 | 178.8 | 162.3 | 0 | 0 | 113.6 | K342 A343 R350 | K342-E346 VanDerWaalsContact CE-CD 3.44Å; K342-E346 WeakPolarHBondContact CE-OE1 3.4Å; K342-E346 HydrophobicContact CG-CG 4.37Å; K342-E346 IonicContact NZ-OE1 2.68Å; K342-E346 WeakPolarHBondContact O-CG 3.21Å; K342-E346 PolarHBondContact O-N 3.21Å; A343-E346 PolarHBondContact O-N 3.09Å; E346-R350 WeakPolarHBondContact O-CG 3.17Å; E346-R350 PolarHBondContact O-NE 2.9Å |
| 347 | Y | 90.9 | Very high | 83.4 | Confident | 160 Ų | 160 | 95.1 Ų | 95.1 | 63% | 0.627 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -80.8 | -47.6 | 169.2 | -177.2 | -98.8 | 0 | 0 | 0 | 111.7 | A343 I344 A345 R350 | A343-Y347 WeakPolarHBondContact O-CB 3.19Å; A343-Y347 PolarHBondContact O-N 2.97Å; I344-Y347 PolarHBondContact O-N 2.88Å; A345-Y347 PolarHBondContact O-N 3.07Å; Y347-R350 WeakPolarHBondContact O-CG 3.28Å |
| 348 | L | 88.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -78.6 | -14 | -177.6 | -65.1 | 176.8 | 0 | 0 | 0 | 114.3 | I344 A345 R350 Y428 | I344-L348 HydrophobicContact CG2-CD1 3.87Å; I344-L348 WeakPolarHBondContact O-CB 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.4Å; I344-L348 PolarHBondContact O-N 2.96Å; A345-L348 PolarHBondContact O-N 2.98Å; L348-R350 VanDerWaalsContact C-N 3.34Å; L348-Y428 HydrophobicContact CD1-CE2 4.01Å |
| 349 | G | 80.3 | Confident | 82.2 | Confident | 27 Ų | 27 | 91.2 Ų | 91.2 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A345 | A345-G349 PolarHBondContact O-N 3.21Š|
| 350 | R | 74.6 | Confident | 81.8 | Confident | 165 Ų | 165 | 90.4 Ų | 90.4 | 62% | 0.623 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -68.3 | 149.5 | -178.1 | -69.8 | 179.1 | -178.2 | -156.4 | -1.7 | 111.8 | E346 Y347 L348 H352 | E346-R350 WeakPolarHBondContact O-CG 3.17Å; E346-R350 PolarHBondContact O-NE 2.9Å; Y347-R350 WeakPolarHBondContact O-CG 3.28Å; L348-R350 VanDerWaalsContact C-N 3.34Å; R350-H352 PolarHBondContact O-N 3.44Å |
| 351 | P | 60.5 | Low | 81.4 | Confident | 121 Ų | 121 | 90.9 Ų | 90.9 | 79% | 0.786 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -72.9 | 97.8 | -162.3 | 27.6 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 352 | H | 57.5 | Low | 81.1 | Confident | 189 Ų | 189 | 93.3 Ų | 93.3 | 88% | 0.875 | 46% | 0.462 | S | S | * | . | trans | -131.9 | 1.9 | 152.8 | -88.6 | 49.7 | 0 | 0 | 0 | 111.9 | R350 | R350-H352 PolarHBondContact O-N 3.44Š| ||
| 353 | V | 59.7 | Low | 81 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 39% | 0.394 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -87.1 | 122 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | E357 | V353-E357 HydrophobicContact CG1-CB 3.8Š|
| 354 | E | 61.6 | Low | 80.9 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | trans | -67.9 | 150.6 | 175.4 | -71.9 | -158 | 170.3 | 0 | 0 | 111.7 | N356 E357 | E354-N356 PolarHBondContact O-N 3.44Å; E354-E357 PolarHBondContact O-N 3.49Å | ||
| 355 | R | 65.3 | Low | 80.9 | Confident | 136 Ų | 136 | 92.6 Ų | 92.6 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.9 | -177 | -151.5 | 166 | 179.8 | 149.8 | -13.3 | 113 | S443 E446 | R355-S443 PolarHBondContact NE-OG 3.45Å; R355-S443 VanDerWaalsContact NH2-CA 3.29Å; R355-S443 PolarHBondContact NH2-O 3.27Å; R355-E446 IonicContact CZ-OE2 2.82Å; R355-E446 IonicContact NH1-OE2 3.56Å; R355-E446 PolarHBondContact NH1-OE2 3.44Å; R355-E446 IonicContact NH2-OE2 3.97Å; R355-E446 PolarHBondContact NH2-OE2 3.28Å |
| 356 | N | 66.2 | Low | 81 | Confident | 132 Ų | 132 | 96.3 Ų | 96.3 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -31.2 | 174.8 | -64.6 | -40.9 | 0 | 0 | 0 | 113.9 | E354 | E354-N356 PolarHBondContact O-N 3.44Š|
| 357 | E | 81.9 | Confident | 81.3 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -12.8 | -173.3 | -63.7 | -164.8 | 138.7 | 0 | 0 | 113.7 | V353 E354 N359 S360 R361 | V353-E357 HydrophobicContact CG1-CB 3.8Å; E354-E357 PolarHBondContact O-N 3.49Å; E357-N359 VanDerWaalsContact C-N 3.25Å; E357-N359 PolarHBondContact O-N 2.67Å; E357-S360 CarbonylContact O-C 3.57Å; E357-S360 WeakPolarHBondContact O-CA 3.44Å; E357-S360 WeakPolarHBondContact O-CB 3.32Å; E357-S360 PolarHBondContact O-N 3.18Å; E357-R361 PolarHBondContact O-N 3.06Å |
| 358 | V | 83.9 | Confident | 81.7 | Confident | 13 Ų | 13 | 89.3 Ų | 89.3 | 8% | 0.079 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55.9 | -38.5 | -174.4 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | R361 K362 V436 Y440 | V358-R361 PolarHBondContact O-N 2.93Å; V358-K362 PolarHBondContact O-N 3.34Å; V358-V436 HydrophobicContact CG1-CG1 3.89Å; V358-Y440 HydrophobicContact CG1-CD2 4.1Å; V358-Y440 HydrophobicContact CG1-CE2 3.56Å |
| 359 | N | 87.1 | Confident | 82.1 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 172.8 | -70 | -61.3 | 0 | 0 | 0 | 112.6 | E357 R361 K362 N363 Y440 | E357-N359 VanDerWaalsContact C-N 3.25Å; E357-N359 PolarHBondContact O-N 2.67Å; N359-R361 VanDerWaalsContact C-N 3.35Å; N359-K362 PolarHBondContact O-N 2.82Å; N359-N363 VanDerWaalsContact O-CG 3.32Å; N359-N363 PolarHBondContact O-N 3.13Å; N359-N363 PolarHBondContact O-ND2 2.73Å; N359-Y440 VanDerWaalsContact CA-OH 3.23Å; N359-Y440 WeakPolarHBondContact CA-OH 3.37Å; N359-Y440 VanDerWaalsContact CG-OH 3.25Å; N359-Y440 PolarHBondContact N-OH 3.43Å; N359-Y440 PolarHBondContact OD1-OH 2.97Å |
| 360 | S | 88.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 91.7 Ų | 91.7 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | E357 K362 N363 M364 | E357-S360 CarbonylContact O-C 3.57Å; E357-S360 WeakPolarHBondContact O-CA 3.44Å; E357-S360 WeakPolarHBondContact O-CB 3.32Å; E357-S360 PolarHBondContact O-N 3.18Å; S360-K362 PolarHBondContact O-N 3.26Å; S360-N363 PolarHBondContact O-N 3.49Å; S360-M364 WeakPolarHBondContact O-CG 3.36Å; S360-M364 PolarHBondContact O-N 3.28Å |
| 361 | R | 89.4 | Confident | 84 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 32% | 0.317 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.6 | -174.7 | 56.5 | 173.3 | 170.9 | -2.2 | 112.4 | E357 V358 N359 M364 L365 V436 | E357-R361 PolarHBondContact O-N 3.06Å; V358-R361 PolarHBondContact O-N 2.93Å; N359-R361 VanDerWaalsContact C-N 3.35Å; R361-M364 PolarHBondContact O-N 3.43Å; R361-L365 HydrophobicContact CG-CD1 4.25Å; R361-L365 VanDerWaalsContact O-CG 3.31Å; R361-L365 WeakPolarHBondContact O-CG 3.46Å; R361-L365 PolarHBondContact O-N 3.44Å; R361-V436 HydrophobicContact CG-CG2 4.12Å |
| 362 | K | 91.9 | Very high | 85.8 | Confident | 61 Ų | 61 | 84.1 Ų | 84.1 | 27% | 0.265 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 174.5 | -167.7 | 165.4 | 177.5 | 166.6 | 0 | 111.4 | V358 N359 S360 M364 L365 L366 L433 V436 D437 Y440 | V358-K362 PolarHBondContact O-N 3.34Å; N359-K362 PolarHBondContact O-N 2.82Å; S360-K362 PolarHBondContact O-N 3.26Å; K362-M364 PolarHBondContact O-N 2.81Å; K362-L365 PolarHBondContact O-N 3.42Å; K362-L366 HydrophobicContact CG-CD1 4.19Å; K362-L366 WeakPolarHBondContact O-CG 3.34Å; K362-L366 PolarHBondContact O-N 2.88Å; K362-L433 HydrophobicContact CG-CD2 4.16Å; K362-V436 HydrophobicContact CB-CG1 3.78Å; K362-V436 HydrophobicContact CD-CG1 4.18Å; K362-V436 HydrophobicContact CG-CG1 4.1Å; K362-D437 WeakPolarHBondContact CE-OD1 3.34Å; K362-D437 IonicContact NZ-OD1 2.67Å; K362-D437 PolarHBondContact NZ-OD1 2.86Å; K362-D437 IonicContact NZ-OD2 3.17Å; K362-Y440 HydrophobicContact CD-CE2 4.07Å |
| 363 | N | 94.4 | Very high | 87.7 | Confident | 106 Ų | 106 | 80 Ų | 80 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | -179.4 | -68.5 | -14 | 0 | 0 | 0 | 112.2 | N359 S360 L366 A367 | N359-N363 VanDerWaalsContact O-CG 3.32Å; N359-N363 PolarHBondContact O-N 3.13Å; N359-N363 PolarHBondContact O-ND2 2.73Å; S360-N363 PolarHBondContact O-N 3.49Å; N363-L366 PolarHBondContact O-N 3.42Å; N363-A367 WeakPolarHBondContact O-CB 3.42Å; N363-A367 PolarHBondContact O-N 2.93Å |
| 364 | M | 94.8 | Very high | 89.5 | Confident | 105 Ų | 105 | 82 Ų | 82 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.2 | -74.4 | -170.9 | -77 | 0 | 0 | 112.6 | S360 R361 K362 A368 | S360-M364 WeakPolarHBondContact O-CG 3.36Å; S360-M364 PolarHBondContact O-N 3.28Å; R361-M364 PolarHBondContact O-N 3.43Å; K362-M364 PolarHBondContact O-N 2.81Å; M364-A368 VanDerWaalsContact O-CB 3.32Å; M364-A368 WeakPolarHBondContact O-CB 3.36Å; M364-A368 PolarHBondContact O-N 3.47Å |
| 365 | L | 95.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 177.4 | -72.1 | 169.6 | 0 | 0 | 0 | 112.2 | R361 K362 K369 L429 A432 L433 V436 | R361-L365 HydrophobicContact CG-CD1 4.25Å; R361-L365 VanDerWaalsContact O-CG 3.31Å; R361-L365 WeakPolarHBondContact O-CG 3.46Å; R361-L365 PolarHBondContact O-N 3.44Å; K362-L365 PolarHBondContact O-N 3.42Å; L365-K369 WeakPolarHBondContact O-CB 3.44Å; L365-K369 PolarHBondContact O-N 2.79Å; L365-L429 HydrophobicContact CD2-CD2 3.62Å; L365-A432 HydrophobicContact CD1-CB 3.94Å; L365-A432 HydrophobicContact CD2-CB 3.92Å; L365-L433 HydrophobicContact CB-CD2 3.63Å; L365-L433 HydrophobicContact CB-CG 3.94Å; L365-L433 HydrophobicContact CD1-CD2 4.15Å; L365-L433 HydrophobicContact CD1-CG 4.32Å; L365-V436 HydrophobicContact CD1-CG2 3.92Å |
| 366 | L | 97.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 175.4 | -70.6 | 171.4 | 0 | 0 | 0 | 111.8 | K362 N363 K369 Q370 L433 | K362-L366 HydrophobicContact CG-CD1 4.19Å; K362-L366 WeakPolarHBondContact O-CG 3.34Å; K362-L366 PolarHBondContact O-N 2.88Å; N363-L366 PolarHBondContact O-N 3.42Å; L366-K369 PolarHBondContact O-N 3.08Å; L366-Q370 PolarHBondContact O-N 3.34Å; L366-L433 HydrophobicContact CD2-CD1 3.89Å; L366-L433 HydrophobicContact CD2-CD2 4.09Å; L366-L433 HydrophobicContact CG-CD2 4.02Å |
| 367 | A | 97.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 71.2 Ų | 71.2 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N363 K369 Q370 I371 | N363-A367 WeakPolarHBondContact O-CB 3.42Å; N363-A367 PolarHBondContact O-N 2.93Å; A367-K369 VanDerWaalsContact C-N 3.34Å; A367-K369 PolarHBondContact O-N 2.96Å; A367-Q370 PolarHBondContact O-N 3.07Å; A367-I371 WeakPolarHBondContact O-CG1 3.5Å; A367-I371 PolarHBondContact O-N 2.88Å |
| 368 | A | 98.1 | Very high | 95 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M364 Q370 I371 C372 L429 | M364-A368 VanDerWaalsContact O-CB 3.32Å; M364-A368 WeakPolarHBondContact O-CB 3.36Å; M364-A368 PolarHBondContact O-N 3.47Å; A368-Q370 PolarHBondContact O-N 3.3Å; A368-I371 PolarHBondContact O-N 2.77Å; A368-C372 WeakPolarHBondContact O-CB 3.28Å; A368-C372 PolarHBondContact O-N 2.92Å; A368-C372 PolarHBondContact O-SG 2.88Å; A368-L429 HydrophobicContact CB-CD1 4.23Å; A368-L429 HydrophobicContact CB-CD2 4.24Å |
| 369 | K | 97.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 68.9 Ų | 68.9 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.1 | 178.8 | 177.6 | 170.8 | 177.6 | 0 | 112 | L365 L366 A367 C372 K373 L429 N430 L433 | L365-K369 WeakPolarHBondContact O-CB 3.44Å; L365-K369 PolarHBondContact O-N 2.79Å; L366-K369 PolarHBondContact O-N 3.08Å; A367-K369 VanDerWaalsContact C-N 3.34Å; A367-K369 PolarHBondContact O-N 2.96Å; K369-C372 PolarHBondContact O-N 2.98Å; K369-K373 PolarHBondContact O-N 3.01Å; K369-L429 HydrophobicContact CB-CB 4.47Å; K369-L429 HydrophobicContact CB-CD1 4.14Å; K369-N430 WeakPolarHBondContact CE-OD1 3.17Å; K369-N430 PolarHBondContact NZ-OD1 2.89Å; K369-L433 HydrophobicContact CD-CD1 4.25Å |
| 370 | Q | 97.9 | Very high | 96 | Very high | 97 Ų | 97 | 68.3 Ų | 68.3 | 45% | 0.453 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 178.1 | -179.7 | 58.2 | 24.6 | 0 | 0 | 111.7 | L366 A367 A368 C372 K373 E374 | L366-Q370 PolarHBondContact O-N 3.34Å; A367-Q370 PolarHBondContact O-N 3.07Å; A368-Q370 PolarHBondContact O-N 3.3Å; Q370-C372 VanDerWaalsContact C-N 3.32Å; Q370-C372 PolarHBondContact O-N 3.47Å; Q370-K373 WeakPolarHBondContact O-CB 3.44Å; Q370-K373 PolarHBondContact O-N 2.83Å; Q370-K373 VanDerWaalsContact O-N 3.13Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.38Å; Q370-E374 PolarHBondContact NE2-OE1 3.25Å; Q370-E374 WeakPolarHBondContact O-CG 3.26Å; Q370-E374 PolarHBondContact O-N 3.08Å |
| 371 | I | 98.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 69 Ų | 69 | 59% | 0.585 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 176.2 | -64.8 | 164.9 | 0 | 0 | 0 | 111.2 | A367 A368 K373 E374 F375 | A367-I371 WeakPolarHBondContact O-CG1 3.5Å; A367-I371 PolarHBondContact O-N 2.88Å; A368-I371 PolarHBondContact O-N 2.77Å; I371-K373 VanDerWaalsContact C-N 3.3Å; I371-K373 PolarHBondContact O-N 3.46Å; I371-E374 PolarHBondContact O-N 2.91Å; I371-F375 PolarHBondContact O-N 3.14Å; I371-F375 VanDerWaalsContact O-N 3.15Å |
| 372 | C | 97.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 175.3 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | A368 K369 Q370 T376 M422 Q426 | A368-C372 WeakPolarHBondContact O-CB 3.28Å; A368-C372 PolarHBondContact O-N 2.92Å; A368-C372 PolarHBondContact O-SG 2.88Å; K369-C372 PolarHBondContact O-N 2.98Å; Q370-C372 VanDerWaalsContact C-N 3.32Å; Q370-C372 PolarHBondContact O-N 3.47Å; C372-T376 WeakPolarHBondContact O-CB 3.34Å; C372-T376 PolarHBondContact O-N 3.3Å; C372-T376 PolarHBondContact O-OG1 2.87Å; C372-M422 HydrophobicContact CB-CE 3.52Å; C372-M422 VanDerWaalsContact SG-CE 3.56Å; C372-Q426 HydrophobicContact CB-CG 3.83Å |
| 373 | K | 96.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.1 | -52.3 | 176.5 | -175.6 | -177.1 | 171.7 | -171.4 | 0 | 111.3 | K369 Q370 I371 F375 T376 D377 | K369-K373 PolarHBondContact O-N 3.01Å; Q370-K373 WeakPolarHBondContact O-CB 3.44Å; Q370-K373 PolarHBondContact O-N 2.83Å; Q370-K373 VanDerWaalsContact O-N 3.13Å; I371-K373 VanDerWaalsContact C-N 3.3Å; I371-K373 PolarHBondContact O-N 3.46Å; K373-F375 VanDerWaalsContact C-N 3.26Å; K373-F375 PolarHBondContact O-N 3.45Å; K373-T376 CarbonylContact O-C 3.56Å; K373-T376 WeakPolarHBondContact O-CA 3.35Å; K373-T376 WeakPolarHBondContact O-CB 3.48Å; K373-T376 PolarHBondContact O-N 3.43Å; K373-D377 WeakPolarHBondContact CE-OD2 3.3Å; K373-D377 PolarHBondContact O-N 3.47Å |
| 374 | E | 97.8 | Very high | 96.8 | Very high | 107 Ų | 107 | 62.5 Ų | 62.5 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.3 | -41.7 | -179.2 | -73.3 | 169.1 | -168.3 | 0 | 0 | 112.6 | Q370 I371 L378 | Q370-E374 WeakPolarHBondContact CG-OE1 3.38Å; Q370-E374 PolarHBondContact NE2-OE1 3.25Å; Q370-E374 WeakPolarHBondContact O-CG 3.26Å; Q370-E374 PolarHBondContact O-N 3.08Å; I371-E374 PolarHBondContact O-N 2.91Å; E374-L378 PolarHBondContact O-N 3.35Å; E374-L378 VanDerWaalsContact O-N 3.07Å |
| 375 | F | 97.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 175.3 | -178 | -119.3 | 0 | 0 | 0 | 112.9 | I371 K373 L379 I418 M422 | I371-F375 PolarHBondContact O-N 3.14Å; I371-F375 VanDerWaalsContact O-N 3.15Å; K373-F375 VanDerWaalsContact C-N 3.26Å; K373-F375 PolarHBondContact O-N 3.45Å; F375-L379 HydrophobicContact CD1-CD1 4.25Å; F375-L379 HydrophobicContact CE1-CD1 3.8Å; F375-L379 HydrophobicContact CE2-CD1 4.38Å; F375-L379 HydrophobicContact CZ-CD1 3.87Å; F375-L379 HydrophobicContact CZ-CG 4.44Å; F375-L379 WeakPolarHBondContact O-CG 3.48Å; F375-L379 PolarHBondContact O-N 3.34Å; F375-I418 HydrophobicContact CE1-CG2 3.72Å; F375-I418 HydrophobicContact CZ-CG2 4.28Å; F375-M422 HydrophobicContact CD1-CE 4.22Å; F375-M422 HydrophobicContact CD1-CG 4.19Å; F375-M422 HydrophobicContact CD1-SD 4.22Å; F375-M422 HydrophobicContact CE1-CG 4.43Å; F375-M422 HydrophobicContact CE1-SD 4.5Å |
| 376 | T | 97.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 176.8 | -53 | 0 | 0 | 0 | 0 | 111.4 | C372 K373 L378 L379 T380 C419 M422 | C372-T376 WeakPolarHBondContact O-CB 3.34Å; C372-T376 PolarHBondContact O-N 3.3Å; C372-T376 PolarHBondContact O-OG1 2.87Å; K373-T376 CarbonylContact O-C 3.56Å; K373-T376 WeakPolarHBondContact O-CA 3.35Å; K373-T376 WeakPolarHBondContact O-CB 3.48Å; K373-T376 PolarHBondContact O-N 3.43Å; T376-L378 VanDerWaalsContact C-N 3.27Å; T376-L378 PolarHBondContact O-N 3.07Å; T376-L379 PolarHBondContact O-N 3.01Å; T376-L379 VanDerWaalsContact O-N 3.12Å; T376-T380 WeakPolarHBondContact O-CG2 3.16Å; T376-T380 PolarHBondContact O-N 3.35Å; T376-T380 PolarHBondContact O-OG1 3.16Å; T376-C419 HydrophobicContact CG2-CB 4.42Å; T376-M422 WeakPolarHBondContact OG1-CB 3.48Å |
| 377 | D | 97.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -36.2 | 175.8 | -71.5 | -4.3 | 0 | 0 | 0 | 111 | K373 T380 Q381 | K373-D377 WeakPolarHBondContact CE-OD2 3.3Å; K373-D377 PolarHBondContact O-N 3.47Å; D377-T380 PolarHBondContact O-OG1 2.75Å; D377-T380 VanDerWaalsContact O-OG1 3.05Å; D377-Q381 WeakPolarHBondContact O-CG 3.35Å; D377-Q381 PolarHBondContact O-N 3.05Å; D377-Q381 PolarHBondContact O-NE2 3.14Å |
| 378 | L | 97.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 171.8 | -179.1 | 65.4 | 0 | 0 | 0 | 112.4 | E374 T376 Q381 L395 I399 | E374-L378 PolarHBondContact O-N 3.35Å; E374-L378 VanDerWaalsContact O-N 3.07Å; T376-L378 VanDerWaalsContact C-N 3.27Å; T376-L378 PolarHBondContact O-N 3.07Å; L378-Q381 WeakPolarHBondContact O-CB 3.5Å; L378-Q381 PolarHBondContact O-N 2.71Å; L378-L395 HydrophobicContact CD1-CD1 4.15Å; L378-L395 HydrophobicContact CD1-CD2 3.8Å; L378-I399 HydrophobicContact CD1-CG2 4.39Å |
| 379 | L | 96.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68 | -35.1 | -179.5 | -70.7 | 174.4 | 0 | 0 | 0 | 112.7 | F375 T376 Q381 D382 L403 I418 | F375-L379 HydrophobicContact CD1-CD1 4.25Å; F375-L379 HydrophobicContact CE1-CD1 3.8Å; F375-L379 HydrophobicContact CE2-CD1 4.38Å; F375-L379 HydrophobicContact CZ-CD1 3.87Å; F375-L379 HydrophobicContact CZ-CG 4.44Å; F375-L379 WeakPolarHBondContact O-CG 3.48Å; F375-L379 PolarHBondContact O-N 3.34Å; T376-L379 PolarHBondContact O-N 3.01Å; T376-L379 VanDerWaalsContact O-N 3.12Å; L379-Q381 PolarHBondContact O-N 3.06Å; L379-D382 VanDerWaalsContact O-CB 3.29Å; L379-D382 WeakPolarHBondContact O-CB 3.39Å; L379-D382 PolarHBondContact O-N 3.24Å; L379-D382 VanDerWaalsContact O-N 3.14Å; L379-L403 HydrophobicContact CD2-CD2 3.76Å; L379-I418 HydrophobicContact CD1-CB 4.07Å; L379-I418 HydrophobicContact CD1-CG2 3.49Å; L379-I418 VanDerWaalsContact CD1-CG2 3.49Å |
| 380 | T | 95.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -13.5 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | T376 D377 R383 | T376-T380 WeakPolarHBondContact O-CG2 3.16Å; T376-T380 PolarHBondContact O-N 3.35Å; T376-T380 PolarHBondContact O-OG1 3.16Å; D377-T380 PolarHBondContact O-OG1 2.75Å; D377-T380 VanDerWaalsContact O-OG1 3.05Å; T380-R383 PolarHBondContact O-NH1 3.48Å; T380-R383 PolarHBondContact O-NH2 2.9Å |
| 381 | Q | 95.6 | Very high | 93 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.2 | 171.1 | -71.6 | 170.2 | 76 | 0 | 0 | 113.8 | D377 L378 L379 R383 I394 L395 | D377-Q381 WeakPolarHBondContact O-CG 3.35Å; D377-Q381 PolarHBondContact O-N 3.05Å; D377-Q381 PolarHBondContact O-NE2 3.14Å; L378-Q381 WeakPolarHBondContact O-CB 3.5Å; L378-Q381 PolarHBondContact O-N 2.71Å; L379-Q381 PolarHBondContact O-N 3.06Å; Q381-R383 VanDerWaalsContact C-NH1 3.32Å; Q381-R383 PolarHBondContact O-N 3.13Å; Q381-R383 PolarHBondContact O-NH1 2.77Å; Q381-I394 HydrophobicContact CB-CD1 4.03Å; Q381-I394 HydrophobicContact CB-CG1 4.46Å; Q381-I394 HydrophobicContact CG-CD1 4.16Å; Q381-L395 HydrophobicContact CB-CD1 3.99Å; Q381-L395 HydrophobicContact CB-CD2 3.81Å; Q381-L395 HydrophobicContact CB-CG 3.99Å |
| 382 | D | 95.5 | Very high | 92.8 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | trans | -57.3 | 124.6 | 175.2 | -174.3 | 7.9 | 0 | 0 | 0 | 111.5 | L379 S384 Q400 L403 S407 | L379-D382 VanDerWaalsContact O-CB 3.29Å; L379-D382 WeakPolarHBondContact O-CB 3.39Å; L379-D382 PolarHBondContact O-N 3.24Å; L379-D382 VanDerWaalsContact O-N 3.14Å; D382-S384 VanDerWaalsContact OD1-CB 3.29Å; D382-S384 WeakPolarHBondContact OD1-CB 3.08Å; D382-S384 PolarHBondContact OD1-N 3.24Å; D382-S384 PolarHBondContact OD1-OG 3.06Å; D382-S384 PolarHBondContact OD2-OG 3.41Å; D382-Q400 PolarHBondContact OD1-NE2 3.31Å; D382-L403 HydrophobicContact CB-CD1 4.21Å; D382-S407 PolarHBondContact OD2-OG 3.28Å | ||
| 383 | R | 95.2 | Very high | 92.5 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | trans | -114 | 37.5 | 174.4 | -59.1 | -59.5 | 170.8 | -103.5 | 0.4 | 111.9 | T380 Q381 P391 A392 I394 | T380-R383 PolarHBondContact O-NH1 3.48Å; T380-R383 PolarHBondContact O-NH2 2.9Å; Q381-R383 VanDerWaalsContact C-NH1 3.32Å; Q381-R383 PolarHBondContact O-N 3.13Å; Q381-R383 PolarHBondContact O-NH1 2.77Å; R383-P391 HydrophobicContact CB-CB 4.15Å; R383-P391 HydrophobicContact CB-CG 3.85Å; R383-P391 HydrophobicContact CG-CB 4.45Å; R383-A392 WeakPolarHBondContact CB-O 3.47Å; R383-A392 WeakPolarHBondContact CG-O 3.48Å; R383-I394 HydrophobicContact CG-CD1 4.18Å; R383-I394 HydrophobicContact CG-CG1 3.87Å; R383-I394 HydrophobicContact CG-CG2 4.42Å | ||
| 384 | S | 94.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | trans | -56.3 | 130.8 | 173.3 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | D382 L386 T404 S407 | D382-S384 VanDerWaalsContact OD1-CB 3.29Å; D382-S384 WeakPolarHBondContact OD1-CB 3.08Å; D382-S384 PolarHBondContact OD1-N 3.24Å; D382-S384 PolarHBondContact OD1-OG 3.06Å; D382-S384 PolarHBondContact OD2-OG 3.41Å; S384-L386 PolarHBondContact O-N 3.37Å; S384-T404 VanDerWaalsContact OG-CA 3.26Å; S384-T404 WeakPolarHBondContact OG-CA 3.47Å; S384-T404 PolarHBondContact OG-N 3.49Å; S384-S407 VanDerWaalsContact OG-CB 3.25Å; S384-S407 WeakPolarHBondContact OG-CB 3.3Å; S384-S407 PolarHBondContact OG-OG 3.48Å | ||
| 385 | P | 90.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | trans | -76.6 | 80.7 | 179.2 | 30.9 | -35.8 | 0 | 0 | 0 | 112.1 | S389 T404 | P385-S389 WeakPolarHBondContact CA-O 3.39Å; P385-T404 HydrophobicContact CG-CG2 4.48Å | ||
| 386 | L | 87.1 | Confident | 92.4 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | trans | -98.8 | 147.7 | 178.2 | -76.7 | 168.7 | 0 | 0 | 0 | 112.5 | S384 N388 S389 G412 | S384-L386 PolarHBondContact O-N 3.37Å; L386-N388 PolarHBondContact O-N 3.34Å; L386-N388 VanDerWaalsContact O-N 3.16Å; L386-S389 PolarHBondContact O-N 3.1Å; L386-S389 PolarHBondContact O-OG 2.94Å; L386-S389 VanDerWaalsContact O-OG 3.06Å; L386-G412 VanDerWaalsContact CD1-CA 3.46Å | ||
| 387 | G | 83.5 | Confident | 92.3 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | -120.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A259 E321 R390 | A259-G387 WeakPolarHBondContact CB-O 3.32Å; E321-G387 WeakPolarHBondContact OE2-CA 3.26Å; E321-G387 PolarHBondContact OE2-N 3.16Å; G387-R390 PolarHBondContact O-NH1 2.78Å; G387-R390 PolarHBondContact O-NH2 2.89Å |
| 388 | N | 78.8 | Confident | 92.3 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2.7 | 178 | -61.9 | -8.6 | 0 | 0 | 0 | 113.4 | T235 T257 L386 | T235-N388 WeakPolarHBondContact CB-ND2 3.44Å; T235-N388 HydrophobicContact CG2-CB 4.13Å; T257-N388 PolarHBondContact OG1-OD1 2.93Å; L386-N388 PolarHBondContact O-N 3.34Å; L386-N388 VanDerWaalsContact O-N 3.16Å |
| 389 | S | 82.4 | Confident | 92.3 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | trans | -81.6 | 135 | -178.7 | 81.1 | 0 | 0 | 0 | 0 | 111.2 | P385 L386 P391 | P385-S389 WeakPolarHBondContact CA-O 3.39Å; L386-S389 PolarHBondContact O-N 3.1Å; L386-S389 PolarHBondContact O-OG 2.94Å; L386-S389 VanDerWaalsContact O-OG 3.06Å; S389-P391 VanDerWaalsContact C-CD 3.45Å | ||
| 390 | R | 86.2 | Confident | 92.3 | Very high | 133 Ų | 133 | 66.3 Ų | 66.3 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | trans | -132.4 | 60.9 | 175.5 | -60.9 | -64.7 | 178.4 | -88.1 | -2.1 | 110 | G387 | G387-R390 PolarHBondContact O-NH1 2.78Å; G387-R390 PolarHBondContact O-NH2 2.89Å | ||
| 391 | P | 91.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 154.6 | 178.1 | 29.8 | -35.8 | 0 | 0 | 0 | 111.3 | R383 S389 | R383-P391 HydrophobicContact CB-CB 4.15Å; R383-P391 HydrophobicContact CB-CG 3.85Å; R383-P391 HydrophobicContact CG-CB 4.45Å; S389-P391 VanDerWaalsContact C-CD 3.45Å |
| 392 | A | 92.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 65 Ų | 65 | 63% | 0.628 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 136.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R383 | R383-A392 WeakPolarHBondContact CB-O 3.47Å; R383-A392 WeakPolarHBondContact CG-O 3.48Å |
| 393 | P | 93 | Very high | 92.5 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 135.3 | 167.5 | -29.4 | 38.1 | 0 | 0 | 0 | 112.4 | Q400 | P393-Q400 HydrophobicContact CB-CG 4.19Š|
| 394 | I | 96.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | trans | -118.7 | -15.5 | 172.6 | 66.7 | 178.7 | 0 | 0 | 0 | 113.1 | Q381 R383 | Q381-I394 HydrophobicContact CB-CD1 4.03Å; Q381-I394 HydrophobicContact CB-CG1 4.46Å; Q381-I394 HydrophobicContact CG-CD1 4.16Å; R383-I394 HydrophobicContact CG-CD1 4.18Å; R383-I394 HydrophobicContact CG-CG1 3.87Å; R383-I394 HydrophobicContact CG-CG2 4.42Å | ||
| 395 | L | 96.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.12 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -95 | 154 | 177 | -65.7 | 175.5 | 0 | 0 | 0 | 110.7 | L378 Q381 I399 Q400 L403 | L378-L395 HydrophobicContact CD1-CD1 4.15Å; L378-L395 HydrophobicContact CD1-CD2 3.8Å; Q381-L395 HydrophobicContact CB-CD1 3.99Å; Q381-L395 HydrophobicContact CB-CD2 3.81Å; Q381-L395 HydrophobicContact CB-CG 3.99Å; L395-I399 HydrophobicContact CD1-CG2 4.35Å; L395-Q400 HydrophobicContact CB-CB 4.19Å; L395-L403 HydrophobicContact CD1-CD1 3.56Å |
| 396 | E | 96.6 | Very high | 93 | Very high | 146 Ų | 146 | 67 Ų | 67 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | trans | -46.8 | 135.4 | 174.6 | -84.6 | -61.6 | 144 | 0 | 0 | 112.2 | G398 I399 Q400 | E396-G398 PolarHBondContact O-N 3.48Å; E396-I399 HydrophobicContact CB-CG1 4.4Å; E396-I399 PolarHBondContact O-N 3.2Å; E396-Q400 PolarHBondContact O-N 3.46Å | ||
| 397 | P | 96.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 65.4 Ų | 65.4 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -56.3 | -31 | -169.6 | -29.3 | 36.6 | 0 | 0 | 0 | 115.1 | G401 | P397-G401 WeakPolarHBondContact O-CA 3.23Å; P397-G401 PolarHBondContact O-N 3.12Å |
| 398 | G | 97.4 | Very high | 94 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E396 G401 C402 | E396-G398 PolarHBondContact O-N 3.48Å; G398-G401 PolarHBondContact O-N 3.13Å; G398-C402 PolarHBondContact O-N 2.83Å; G398-C402 VanDerWaalsContact O-N 3.1Å; G398-C402 PolarHBondContact O-SG 2.84Å; G398-C402 VanDerWaalsContact O-SG 3.38Å |
| 399 | I | 97.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.2 | -47.3 | 178.9 | -57.7 | -59.1 | 0 | 0 | 0 | 110.4 | L378 L395 E396 G401 C402 L403 | L378-I399 HydrophobicContact CD1-CG2 4.39Å; L395-I399 HydrophobicContact CD1-CG2 4.35Å; E396-I399 HydrophobicContact CB-CG1 4.4Å; E396-I399 PolarHBondContact O-N 3.2Å; I399-G401 VanDerWaalsContact C-N 3.25Å; I399-G401 PolarHBondContact O-N 3.13Å; I399-C402 PolarHBondContact O-N 3.21Å; I399-L403 HydrophobicContact CG2-CD1 4.01Å; I399-L403 HydrophobicContact CG2-CG 4.44Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 3.18Å |
| 400 | Q | 97.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 175.6 | -171.6 | 57.9 | 70.1 | 0 | 0 | 111.3 | D382 P393 L395 E396 T404 | D382-Q400 PolarHBondContact OD1-NE2 3.31Å; P393-Q400 HydrophobicContact CB-CG 4.19Å; L395-Q400 HydrophobicContact CB-CB 4.19Å; E396-Q400 PolarHBondContact O-N 3.46Å; Q400-T404 PolarHBondContact NE2-OG1 2.85Å; Q400-T404 WeakPolarHBondContact O-CB 3.39Å; Q400-T404 PolarHBondContact O-N 3.02Å; Q400-T404 PolarHBondContact O-OG1 2.95Å |
| 401 | G | 96.8 | Very high | 95.9 | Very high | 40 Ų | 40 | 56 Ų | 56 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | P397 G398 I399 T404 H405 | P397-G401 WeakPolarHBondContact O-CA 3.23Å; P397-G401 PolarHBondContact O-N 3.12Å; G398-G401 PolarHBondContact O-N 3.13Å; I399-G401 VanDerWaalsContact C-N 3.25Å; I399-G401 PolarHBondContact O-N 3.13Å; G401-T404 PolarHBondContact O-N 3.47Å; G401-H405 PolarHBondContact O-N 3.15Å |
| 402 | C | 97.3 | Very high | 96 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 62% | 0.622 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.4 | -47 | 175.8 | -72.5 | 0 | 0 | 0 | 0 | 112.6 | G398 I399 T404 H405 F406 | G398-C402 PolarHBondContact O-N 2.83Å; G398-C402 VanDerWaalsContact O-N 3.1Å; G398-C402 PolarHBondContact O-SG 2.84Å; G398-C402 VanDerWaalsContact O-SG 3.38Å; I399-C402 PolarHBondContact O-N 3.21Å; C402-T404 VanDerWaalsContact C-N 3.34Å; C402-T404 PolarHBondContact O-N 2.87Å; C402-H405 PolarHBondContact O-N 3Å; C402-F406 PolarHBondContact O-N 2.88Å |
| 403 | L | 97.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.5 | -70.1 | 174.2 | 0 | 0 | 0 | 111.2 | L379 D382 L395 I399 H405 F406 S407 | L379-L403 HydrophobicContact CD2-CD2 3.76Å; D382-L403 HydrophobicContact CB-CD1 4.21Å; L395-L403 HydrophobicContact CD1-CD1 3.56Å; I399-L403 HydrophobicContact CG2-CD1 4.01Å; I399-L403 HydrophobicContact CG2-CG 4.44Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 3.18Å; L403-H405 PolarHBondContact O-N 3.02Å; L403-F406 PolarHBondContact O-N 2.74Å; L403-F406 VanDerWaalsContact O-N 3.17Å; L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 2.97Å; L403-S407 PolarHBondContact O-OG 3.25Å |
| 404 | T | 96.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 17% | 0.172 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | S384 P385 Q400 G401 C402 F406 S407 L408 | S384-T404 VanDerWaalsContact OG-CA 3.26Å; S384-T404 WeakPolarHBondContact OG-CA 3.47Å; S384-T404 PolarHBondContact OG-N 3.49Å; P385-T404 HydrophobicContact CG-CG2 4.48Å; Q400-T404 PolarHBondContact NE2-OG1 2.85Å; Q400-T404 WeakPolarHBondContact O-CB 3.39Å; Q400-T404 PolarHBondContact O-N 3.02Å; Q400-T404 PolarHBondContact O-OG1 2.95Å; G401-T404 PolarHBondContact O-N 3.47Å; C402-T404 VanDerWaalsContact C-N 3.34Å; C402-T404 PolarHBondContact O-N 2.87Å; T404-F406 VanDerWaalsContact C-N 3.33Å; T404-F406 PolarHBondContact O-N 3.38Å; T404-S407 PolarHBondContact O-N 3.38Å; T404-L408 HydrophobicContact CG2-CD1 3.65Å; T404-L408 HydrophobicContact CG2-CG 4.03Å; T404-L408 VanDerWaalsContact O-CB 3.24Å; T404-L408 WeakPolarHBondContact O-CB 3.38Å; T404-L408 WeakPolarHBondContact O-CG 3.23Å; T404-L408 PolarHBondContact O-N 2.97Å |
| 405 | H | 95.9 | Very high | 96.5 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 39% | 0.394 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 175.8 | -170 | 107.3 | 0 | 0 | 0 | 111.8 | G401 C402 L403 L408 I409 | G401-H405 PolarHBondContact O-N 3.15Å; C402-H405 PolarHBondContact O-N 3Å; L403-H405 PolarHBondContact O-N 3.02Å; H405-L408 PolarHBondContact O-N 3.31Å; H405-I409 WeakPolarHBondContact O-CG1 3.22Å; H405-I409 PolarHBondContact O-N 2.94Å |
| 406 | F | 96.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | -179.9 | 179 | -117.8 | 0 | 0 | 0 | 112.9 | C402 L403 T404 L408 I409 T410 G414 I418 | C402-F406 PolarHBondContact O-N 2.88Å; L403-F406 PolarHBondContact O-N 2.74Å; L403-F406 VanDerWaalsContact O-N 3.17Å; T404-F406 VanDerWaalsContact C-N 3.33Å; T404-F406 PolarHBondContact O-N 3.38Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 2.78Å; F406-I409 WeakPolarHBondContact O-CG1 3.43Å; F406-I409 PolarHBondContact O-N 2.68Å; F406-T410 HydrophobicContact CD2-CG2 3.92Å; F406-T410 HydrophobicContact CE2-CG2 3.63Å; F406-T410 HydrophobicContact CZ-CG2 4.07Å; F406-T410 WeakPolarHBondContact O-CB 3.19Å; F406-T410 WeakPolarHBondContact O-CG2 3.27Å; F406-T410 PolarHBondContact O-N 2.77Å; F406-T410 PolarHBondContact O-OG1 2.85Å; F406-G414 VanDerWaalsContact CE1-C 3.43Å; F406-I418 HydrophobicContact CE1-CD1 3.75Å; F406-I418 HydrophobicContact CZ-CD1 3.65Å |
| 407 | S | 96.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 175.7 | -81.2 | 0 | 0 | 0 | 0 | 111.7 | D382 S384 L403 T404 T410 H411 G412 S415 | D382-S407 PolarHBondContact OD2-OG 3.28Å; S384-S407 VanDerWaalsContact OG-CB 3.25Å; S384-S407 WeakPolarHBondContact OG-CB 3.3Å; S384-S407 PolarHBondContact OG-OG 3.48Å; L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 2.97Å; L403-S407 PolarHBondContact O-OG 3.25Å; T404-S407 PolarHBondContact O-N 3.38Å; S407-T410 PolarHBondContact O-OG1 2.7Å; S407-H411 WeakPolarHBondContact O-CA 3.46Å; S407-H411 PolarHBondContact O-N 2.69Å; S407-G412 PolarHBondContact O-N 3.27Å; S407-G412 VanDerWaalsContact O-N 3.13Å; S407-S415 PolarHBondContact OG-OG 3.05Å |
| 408 | L | 95.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.5 | -69.6 | 174.8 | 0 | 0 | 0 | 112.8 | R263 P268 T404 H405 F406 H411 | R263-L408 VanDerWaalsContact CD-CD2 3.44Å; R263-L408 HydrophobicContact CG-CD2 3.69Å; R263-L408 PolarHBondContact NH1-O 3.37Å; P268-L408 HydrophobicContact CG-CB 3.92Å; P268-L408 HydrophobicContact CG-CD1 4.46Å; T404-L408 HydrophobicContact CG2-CD1 3.65Å; T404-L408 HydrophobicContact CG2-CG 4.03Å; T404-L408 VanDerWaalsContact O-CB 3.24Å; T404-L408 WeakPolarHBondContact O-CB 3.38Å; T404-L408 WeakPolarHBondContact O-CG 3.23Å; T404-L408 PolarHBondContact O-N 2.97Å; H405-L408 PolarHBondContact O-N 3.31Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 2.78Å; L408-H411 PolarHBondContact O-CE1 3.05Å; L408-H411 PolarHBondContact O-N 2.89Å; L408-H411 PolarHBondContact O-ND1 2.81Å |
| 409 | I | 94.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.9 | -21.5 | -179.5 | 67.2 | 175.4 | 0 | 0 | 0 | 114 | P268 H405 F406 H411 | P268-I409 HydrophobicContact CB-CG2 3.95Å; P268-I409 HydrophobicContact CG-CG2 3.49Å; P268-I409 VanDerWaalsContact CG-CG2 3.49Å; H405-I409 WeakPolarHBondContact O-CG1 3.22Å; H405-I409 PolarHBondContact O-N 2.94Å; F406-I409 WeakPolarHBondContact O-CG1 3.43Å; F406-I409 PolarHBondContact O-N 2.68Å; I409-H411 PolarHBondContact O-CE1 3.42Å |
| 410 | T | 96.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -95.5 | -4.5 | 174.6 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L316 F406 S407 G412 F413 G414 | L316-T410 HydrophobicContact CD1-CG2 3.83Å; F406-T410 HydrophobicContact CD2-CG2 3.92Å; F406-T410 HydrophobicContact CE2-CG2 3.63Å; F406-T410 HydrophobicContact CZ-CG2 4.07Å; F406-T410 WeakPolarHBondContact O-CB 3.19Å; F406-T410 WeakPolarHBondContact O-CG2 3.27Å; F406-T410 PolarHBondContact O-N 2.77Å; F406-T410 PolarHBondContact O-OG1 2.85Å; S407-T410 PolarHBondContact O-OG1 2.7Å; T410-G412 PolarHBondContact O-N 3.32Å; T410-F413 WeakPolarHBondContact O-CB 3.31Å; T410-F413 PolarHBondContact O-N 2.93Å; T410-G414 WeakPolarHBondContact OG1-CA 2.93Å; T410-G414 PolarHBondContact OG1-N 3.03Å; T410-G414 VanDerWaalsContact OG1-N 3.08Å |
| 411 | H | 95.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.7 | 177.6 | -44.1 | -26.6 | 0 | 0 | 0 | 112.9 | R263 R264 E269 L316 T317 E321 A324 S407 L408 I409 | R263-H411 PolarHBondContact NH2-ND1 3.35Å; R264-H411 PolarHBondContact NH2-CD2 3.43Å; R264-H411 PolarHBondContact NH2-NE2 3.17Å; E269-H411 VanDerWaalsContact CD-CE1 3.4Å; E269-H411 IonicContact OE1-CE1 3.95Å; E269-H411 IonicContact OE1-NE2 2.7Å; E269-H411 IonicContact OE2-CE1 2.74Å; E269-H411 PolarHBondContact OE2-CE1 3.21Å; E269-H411 IonicContact OE2-ND1 2.65Å; E269-H411 PolarHBondContact OE2-ND1 3.28Å; L316-H411 PolarHBondContact O-CD2 3.37Å; L316-H411 PolarHBondContact O-NE2 2.99Å; T317-H411 WeakPolarHBondContact CA-NE2 3.43Å; E321-H411 HydrophobicContact CG-CB 3.84Å; A324-H411 HydrophobicContact CB-CB 3.89Å; A324-H411 VanDerWaalsContact CB-O 3.32Å; A324-H411 WeakPolarHBondContact CB-O 3.46Å; S407-H411 WeakPolarHBondContact O-CA 3.46Å; S407-H411 PolarHBondContact O-N 2.69Å; L408-H411 PolarHBondContact O-CE1 3.05Å; L408-H411 PolarHBondContact O-N 2.89Å; L408-H411 PolarHBondContact O-ND1 2.81Å; I409-H411 PolarHBondContact O-CE1 3.42Å |
| 412 | G | 95.3 | Very high | 97 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | L386 S407 T410 P416 | L386-G412 VanDerWaalsContact CD1-CA 3.46Å; S407-G412 PolarHBondContact O-N 3.27Å; S407-G412 VanDerWaalsContact O-N 3.13Å; T410-G412 PolarHBondContact O-N 3.32Å; G412-P416 WeakPolarHBondContact O-CD 3.42Å; G412-P416 WeakPolarHBondContact O-CG 3.36Å |
| 413 | F | 97.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 20% | 0.197 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71.7 | -38.3 | 174.2 | 173.9 | -98.3 | 0 | 0 | 0 | 113 | L316 A324 L327 A328 T410 A417 | L316-F413 HydrophobicContact CD2-CD1 4.18Å; A324-F413 HydrophobicContact CB-CB 4.08Å; L327-F413 HydrophobicContact CB-CD2 4.3Å; L327-F413 HydrophobicContact CD2-CD2 3.98Å; L327-F413 HydrophobicContact CD2-CE2 3.91Å; L327-F413 HydrophobicContact CG-CD2 3.99Å; L327-F413 HydrophobicContact CG-CE2 3.77Å; A328-F413 HydrophobicContact CB-CD2 3.75Å; A328-F413 HydrophobicContact CB-CE2 4.31Å; T410-F413 WeakPolarHBondContact O-CB 3.31Å; T410-F413 PolarHBondContact O-N 2.93Å; F413-A417 HydrophobicContact CD1-CB 4.17Å; F413-A417 HydrophobicContact CD2-CB 4.32Å; F413-A417 HydrophobicContact CE1-CB 3.68Å; F413-A417 HydrophobicContact CE2-CB 3.84Å; F413-A417 HydrophobicContact CG-CB 4.46Å; F413-A417 HydrophobicContact CZ-CB 3.5Å; F413-A417 VanDerWaalsContact CZ-CB 3.5Å; F413-A417 WeakPolarHBondContact O-CB 3.43Å; F413-A417 PolarHBondContact O-N 3.14Å; F413-A417 VanDerWaalsContact O-N 3.09Å |
| 414 | G | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -65.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115 | F406 T410 A417 I418 | F406-G414 VanDerWaalsContact CE1-C 3.43Å; T410-G414 WeakPolarHBondContact OG1-CA 2.93Å; T410-G414 PolarHBondContact OG1-N 3.03Å; T410-G414 VanDerWaalsContact OG1-N 3.08Å; G414-A417 PolarHBondContact O-N 3.07Å; G414-I418 WeakPolarHBondContact O-CG1 3.41Å; G414-I418 PolarHBondContact O-N 3.28Å |
| 415 | S | 96.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | -174.3 | -45.1 | 0 | 0 | 0 | 0 | 112.6 | S407 I418 C419 | S407-S415 PolarHBondContact OG-OG 3.05Å; S415-I418 PolarHBondContact O-N 2.88Å; S415-C419 PolarHBondContact O-N 3.27Å; S415-C419 PolarHBondContact O-SG 2.92Å |
| 416 | P | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 30 Ų | 30 | 43% | 0.429 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65 | -37.8 | 175.5 | -22.6 | 35.3 | 0 | 0 | 0 | 113.8 | A328 G412 I418 C419 A420 | A328-P416 HydrophobicContact CB-CB 4.18Å; G412-P416 WeakPolarHBondContact O-CD 3.42Å; G412-P416 WeakPolarHBondContact O-CG 3.36Å; P416-I418 VanDerWaalsContact C-N 3.35Å; P416-I418 PolarHBondContact O-N 2.97Å; P416-C419 PolarHBondContact O-N 3.38Å; P416-A420 PolarHBondContact O-N 3.14Å |
| 417 | A | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.8 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F331 F413 G414 A421 | F331-A417 HydrophobicContact CD1-CB 4.01Å; F331-A417 HydrophobicContact CE1-CB 4.23Å; F331-A417 WeakPolarHBondContact CE1-O 3.42Å; F413-A417 HydrophobicContact CD1-CB 4.17Å; F413-A417 HydrophobicContact CD2-CB 4.32Å; F413-A417 HydrophobicContact CE1-CB 3.68Å; F413-A417 HydrophobicContact CE2-CB 3.84Å; F413-A417 HydrophobicContact CG-CB 4.46Å; F413-A417 HydrophobicContact CZ-CB 3.5Å; F413-A417 VanDerWaalsContact CZ-CB 3.5Å; F413-A417 WeakPolarHBondContact O-CB 3.43Å; F413-A417 PolarHBondContact O-N 3.14Å; F413-A417 VanDerWaalsContact O-N 3.09Å; G414-A417 PolarHBondContact O-N 3.07Å; A417-A421 PolarHBondContact O-N 3.07Å |
| 418 | I | 98.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 31 Ų | 31 | 29% | 0.292 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 170.8 | -65.2 | 172.7 | 0 | 0 | 0 | 110.1 | F375 L379 F406 G414 S415 P416 A420 A421 M422 | F375-I418 HydrophobicContact CE1-CG2 3.72Å; F375-I418 HydrophobicContact CZ-CG2 4.28Å; L379-I418 HydrophobicContact CD1-CB 4.07Å; L379-I418 HydrophobicContact CD1-CG2 3.49Å; L379-I418 VanDerWaalsContact CD1-CG2 3.49Å; F406-I418 HydrophobicContact CE1-CD1 3.75Å; F406-I418 HydrophobicContact CZ-CD1 3.65Å; G414-I418 WeakPolarHBondContact O-CG1 3.41Å; G414-I418 PolarHBondContact O-N 3.28Å; S415-I418 PolarHBondContact O-N 2.88Å; P416-I418 VanDerWaalsContact C-N 3.35Å; P416-I418 PolarHBondContact O-N 2.97Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 2.94Å; I418-A421 PolarHBondContact O-N 3.14Å; I418-M422 HydrophobicContact CG2-CG 4.16Å; I418-M422 VanDerWaalsContact O-CG 3.29Å; I418-M422 WeakPolarHBondContact O-CG 3.25Å; I418-M422 PolarHBondContact O-N 2.98Å |
| 419 | C | 98.1 | Very high | 97.3 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 14% | 0.142 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 112 | T376 S415 P416 M422 T423 | T376-C419 HydrophobicContact CG2-CB 4.42Å; S415-C419 PolarHBondContact O-N 3.27Å; S415-C419 PolarHBondContact O-SG 2.92Å; P416-C419 PolarHBondContact O-N 3.38Å; C419-M422 PolarHBondContact O-N 3.47Å; C419-T423 PolarHBondContact O-N 2.97Å; C419-T423 PolarHBondContact O-OG1 2.95Å; C419-T423 VanDerWaalsContact O-OG1 3.12Å |
| 420 | A | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F331 C335 P416 I418 M422 T423 S424 | F331-A420 HydrophobicContact CD1-CB 4.03Å; F331-A420 HydrophobicContact CE1-CB 4.07Å; C335-A420 HydrophobicContact CB-CB 4.11Å; P416-A420 PolarHBondContact O-N 3.14Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 2.94Å; A420-M422 VanDerWaalsContact C-N 3.31Å; A420-M422 PolarHBondContact O-N 2.88Å; A420-T423 WeakPolarHBondContact O-CB 3.34Å; A420-T423 PolarHBondContact O-N 3.39Å; A420-T423 VanDerWaalsContact O-N 3.09Å; A420-S424 PolarHBondContact O-N 3.26Å; A420-S424 PolarHBondContact O-OG 3.32Å |
| 421 | A | 98.3 | Very high | 97.5 | Very high | 47 Ų | 47 | 31.2 Ų | 31.2 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.4 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A417 I418 T423 S424 L425 | A417-A421 PolarHBondContact O-N 3.07Å; I418-A421 PolarHBondContact O-N 3.14Å; A421-T423 VanDerWaalsContact C-N 3.34Å; A421-S424 PolarHBondContact O-N 2.95Å; A421-L425 PolarHBondContact O-N 2.95Å |
| 422 | M | 97.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -29.6 | 173.7 | -66.5 | -55.7 | -60.5 | 0 | 0 | 112.6 | C372 F375 T376 I418 C419 A420 L425 Q426 | C372-M422 HydrophobicContact CB-CE 3.52Å; C372-M422 VanDerWaalsContact SG-CE 3.56Å; F375-M422 HydrophobicContact CD1-CE 4.22Å; F375-M422 HydrophobicContact CD1-CG 4.19Å; F375-M422 HydrophobicContact CD1-SD 4.22Å; F375-M422 HydrophobicContact CE1-CG 4.43Å; F375-M422 HydrophobicContact CE1-SD 4.5Å; T376-M422 WeakPolarHBondContact OG1-CB 3.48Å; I418-M422 HydrophobicContact CG2-CG 4.16Å; I418-M422 VanDerWaalsContact O-CG 3.29Å; I418-M422 WeakPolarHBondContact O-CG 3.25Å; I418-M422 PolarHBondContact O-N 2.98Å; C419-M422 PolarHBondContact O-N 3.47Å; A420-M422 VanDerWaalsContact C-N 3.31Å; A420-M422 PolarHBondContact O-N 2.88Å; M422-L425 HydrophobicContact CE-CD2 4.1Å; M422-L425 HydrophobicContact SD-CD2 4.3Å; M422-Q426 WeakPolarHBondContact O-CB 3.35Å; M422-Q426 VanDerWaalsContact O-CG 3.28Å; M422-Q426 WeakPolarHBondContact O-CG 3.15Å; M422-Q426 PolarHBondContact O-N 2.91Å; M422-Q426 PolarHBondContact O-NE2 3.02Å; M422-Q426 VanDerWaalsContact O-NE2 3.16Å |
| 423 | T | 96.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 32 Ų | 32 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.3 | -46.2 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | C419 A420 A421 L425 Q426 N427 | C419-T423 PolarHBondContact O-N 2.97Å; C419-T423 PolarHBondContact O-OG1 2.95Å; C419-T423 VanDerWaalsContact O-OG1 3.12Å; A420-T423 WeakPolarHBondContact O-CB 3.34Å; A420-T423 PolarHBondContact O-N 3.39Å; A420-T423 VanDerWaalsContact O-N 3.09Å; A421-T423 VanDerWaalsContact C-N 3.34Å; T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 3.35Å; T423-Q426 PolarHBondContact O-N 3.16Å; T423-Q426 VanDerWaalsContact O-N 3.16Å; T423-N427 WeakPolarHBondContact O-CB 3.4Å; T423-N427 PolarHBondContact O-N 3.13Å |
| 424 | S | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 173.2 | -55 | 0 | 0 | 0 | 0 | 112.3 | C335 F339 A420 A421 N427 Y428 | C335-S424 VanDerWaalsContact CB-OG 3.25Å; C335-S424 WeakPolarHBondContact CB-OG 3.06Å; C335-S424 PolarHBondContact O-OG 2.88Å; F339-S424 WeakPolarHBondContact CE1-O 3.45Å; A420-S424 PolarHBondContact O-N 3.26Å; A420-S424 PolarHBondContact O-OG 3.32Å; A421-S424 PolarHBondContact O-N 2.95Å; S424-N427 PolarHBondContact O-N 3.17Å; S424-Y428 PolarHBondContact O-N 3.47Å |
| 425 | L | 98.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.3 | 179.8 | 60.8 | 0 | 0 | 0 | 112.3 | A421 M422 T423 N427 Y428 L429 | A421-L425 PolarHBondContact O-N 2.95Å; M422-L425 HydrophobicContact CE-CD2 4.1Å; M422-L425 HydrophobicContact SD-CD2 4.3Å; T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 3.35Å; L425-N427 VanDerWaalsContact C-N 3.31Å; L425-N427 PolarHBondContact O-N 2.83Å; L425-Y428 HydrophobicContact CD1-CD1 4.09Å; L425-Y428 PolarHBondContact O-N 2.67Å; L425-L429 HydrophobicContact CG-CD1 4.36Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.97Å |
| 426 | Q | 97.3 | Very high | 96.5 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 175.7 | -77.8 | 174.8 | 93.5 | 0 | 0 | 112.2 | C372 M422 T423 L429 N430 | C372-Q426 HydrophobicContact CB-CG 3.83Å; M422-Q426 WeakPolarHBondContact O-CB 3.35Å; M422-Q426 VanDerWaalsContact O-CG 3.28Å; M422-Q426 WeakPolarHBondContact O-CG 3.15Å; M422-Q426 PolarHBondContact O-N 2.91Å; M422-Q426 PolarHBondContact O-NE2 3.02Å; M422-Q426 VanDerWaalsContact O-NE2 3.16Å; T423-Q426 PolarHBondContact O-N 3.16Å; T423-Q426 VanDerWaalsContact O-N 3.16Å; Q426-L429 PolarHBondContact O-N 2.99Å; Q426-N430 VanDerWaalsContact O-CG 3.22Å; Q426-N430 PolarHBondContact O-N 3.19Å; Q426-N430 PolarHBondContact O-ND2 3.46Å; Q426-N430 VanDerWaalsContact O-ND2 3.1Å |
| 427 | N | 97.8 | Very high | 96.1 | Very high | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.5 | -72.9 | -11.8 | 0 | 0 | 0 | 111.5 | A341 T423 S424 L425 L429 N430 E431 | A341-N427 HydrophobicContact CB-CB 4.06Å; T423-N427 WeakPolarHBondContact O-CB 3.4Å; T423-N427 PolarHBondContact O-N 3.13Å; S424-N427 PolarHBondContact O-N 3.17Å; L425-N427 VanDerWaalsContact C-N 3.31Å; L425-N427 PolarHBondContact O-N 2.83Å; N427-L429 PolarHBondContact O-N 3.32Å; N427-N430 WeakPolarHBondContact O-CB 3.08Å; N427-N430 PolarHBondContact O-N 2.98Å; N427-E431 PolarHBondContact O-N 3.37Å |
| 428 | Y | 97.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 170.5 | 156.3 | -99.1 | 0 | 0 | 0 | 112.3 | I344 A345 L348 S424 L425 N430 E431 A432 | I344-Y428 HydrophobicContact CB-CD2 4.22Å; I344-Y428 HydrophobicContact CG2-CD2 3.74Å; I344-Y428 HydrophobicContact CG2-CE2 3.83Å; A345-Y428 HydrophobicContact CB-CD2 4.01Å; A345-Y428 HydrophobicContact CB-CE2 4.08Å; L348-Y428 HydrophobicContact CD1-CE2 4.01Å; S424-Y428 PolarHBondContact O-N 3.47Å; L425-Y428 HydrophobicContact CD1-CD1 4.09Å; L425-Y428 PolarHBondContact O-N 2.67Å; Y428-N430 VanDerWaalsContact C-N 3.29Å; Y428-N430 PolarHBondContact O-N 3.15Å; Y428-E431 PolarHBondContact O-N 2.94Å; Y428-A432 HydrophobicContact CE2-CB 4.4Å; Y428-A432 WeakPolarHBondContact O-CB 3.49Å; Y428-A432 PolarHBondContact O-N 2.92Å |
| 429 | L | 97.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -35.6 | 178.4 | -68.7 | 170.7 | 0 | 0 | 0 | 112 | L365 A368 K369 L425 Q426 N427 L433 | L365-L429 HydrophobicContact CD2-CD2 3.62Å; A368-L429 HydrophobicContact CB-CD1 4.23Å; A368-L429 HydrophobicContact CB-CD2 4.24Å; K369-L429 HydrophobicContact CB-CB 4.47Å; K369-L429 HydrophobicContact CB-CD1 4.14Å; L425-L429 HydrophobicContact CG-CD1 4.36Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.97Å; Q426-L429 PolarHBondContact O-N 2.99Å; N427-L429 PolarHBondContact O-N 3.32Å; L429-L433 WeakPolarHBondContact O-CB 3.43Å; L429-L433 VanDerWaalsContact O-CG 3.29Å; L429-L433 WeakPolarHBondContact O-CG 3.46Å; L429-L433 PolarHBondContact O-N 3.19Å |
| 430 | N | 97.3 | Very high | 93.3 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 172.8 | -70.6 | -37.8 | 0 | 0 | 0 | 111.9 | K369 Q426 N427 Y428 L433 K434 | K369-N430 WeakPolarHBondContact CE-OD1 3.17Å; K369-N430 PolarHBondContact NZ-OD1 2.89Å; Q426-N430 VanDerWaalsContact O-CG 3.22Å; Q426-N430 PolarHBondContact O-N 3.19Å; Q426-N430 PolarHBondContact O-ND2 3.46Å; Q426-N430 VanDerWaalsContact O-ND2 3.1Å; N427-N430 WeakPolarHBondContact O-CB 3.08Å; N427-N430 PolarHBondContact O-N 2.98Å; Y428-N430 VanDerWaalsContact C-N 3.29Å; Y428-N430 PolarHBondContact O-N 3.15Å; N430-L433 PolarHBondContact O-N 3.03Å; N430-K434 WeakPolarHBondContact O-CG 3.37Å; N430-K434 PolarHBondContact O-N 3.5Å |
| 431 | E | 96.9 | Very high | 92 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -35 | 177.5 | -66.3 | -54.6 | 130.2 | 0 | 0 | 112.9 | K342 A345 N427 Y428 K434 Q435 | K342-E431 HydrophobicContact CB-CG 4.03Å; A345-E431 HydrophobicContact CB-CB 3.76Å; N427-E431 PolarHBondContact O-N 3.37Å; Y428-E431 PolarHBondContact O-N 2.94Å; E431-K434 PolarHBondContact O-N 3.32Å; E431-K434 WeakPolarHBondContact OE1-CE 3.46Å; E431-K434 IonicContact OE1-NZ 3.52Å; E431-K434 PolarHBondContact OE1-NZ 3.3Å; E431-K434 IonicContact OE2-NZ 3.28Å; E431-Q435 WeakPolarHBondContact O-CG 3.46Å; E431-Q435 PolarHBondContact O-N 3.39Å |
| 432 | A | 95.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A345 L365 Y428 Q435 V436 | A345-A432 HydrophobicContact CB-CB 4.3Å; L365-A432 HydrophobicContact CD1-CB 3.94Å; L365-A432 HydrophobicContact CD2-CB 3.92Å; Y428-A432 HydrophobicContact CE2-CB 4.4Å; Y428-A432 WeakPolarHBondContact O-CB 3.49Å; Y428-A432 PolarHBondContact O-N 2.92Å; A432-Q435 PolarHBondContact O-N 3.42Å; A432-V436 PolarHBondContact O-N 3.23Å; A432-V436 VanDerWaalsContact O-N 3.09Å |
| 433 | L | 94.8 | Very high | 88.6 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.2 | -75.9 | 165.8 | 0 | 0 | 0 | 111.8 | K362 L365 L366 K369 L429 N430 Q435 V436 D437 | K362-L433 HydrophobicContact CG-CD2 4.16Å; L365-L433 HydrophobicContact CB-CD2 3.63Å; L365-L433 HydrophobicContact CB-CG 3.94Å; L365-L433 HydrophobicContact CD1-CD2 4.15Å; L365-L433 HydrophobicContact CD1-CG 4.32Å; L366-L433 HydrophobicContact CD2-CD1 3.89Å; L366-L433 HydrophobicContact CD2-CD2 4.09Å; L366-L433 HydrophobicContact CG-CD2 4.02Å; K369-L433 HydrophobicContact CD-CD1 4.25Å; L429-L433 WeakPolarHBondContact O-CB 3.43Å; L429-L433 VanDerWaalsContact O-CG 3.29Å; L429-L433 WeakPolarHBondContact O-CG 3.46Å; L429-L433 PolarHBondContact O-N 3.19Å; N430-L433 PolarHBondContact O-N 3.03Å; L433-Q435 PolarHBondContact O-N 2.68Å; L433-Q435 VanDerWaalsContact O-N 3.16Å; L433-V436 PolarHBondContact O-N 2.96Å; L433-V436 VanDerWaalsContact O-N 3.15Å; L433-D437 PolarHBondContact O-N 3.15Å |
| 434 | K | 93.9 | Very high | 86.5 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.4 | -30.7 | 175.5 | -71.9 | 171.6 | -175 | 176.7 | 0 | 113.1 | N430 E431 K438 | N430-K434 WeakPolarHBondContact O-CG 3.37Å; N430-K434 PolarHBondContact O-N 3.5Å; E431-K434 PolarHBondContact O-N 3.32Å; E431-K434 WeakPolarHBondContact OE1-CE 3.46Å; E431-K434 IonicContact OE1-NZ 3.52Å; E431-K434 PolarHBondContact OE1-NZ 3.3Å; E431-K434 IonicContact OE2-NZ 3.28Å; K434-K438 VanDerWaalsContact O-CG 3.31Å; K434-K438 WeakPolarHBondContact O-CG 3.34Å; K434-K438 PolarHBondContact O-N 3.43Å |
| 435 | Q | 89.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80.5 | -40.5 | 177.1 | -71.3 | 174.6 | 48.3 | 0 | 0 | 112.8 | A345 E431 A432 L433 D437 K438 M439 | A345-Q435 PolarHBondContact O-OE1 2.92Å; A345-Q435 VanDerWaalsContact O-OE1 3.13Å; E431-Q435 WeakPolarHBondContact O-CG 3.46Å; E431-Q435 PolarHBondContact O-N 3.39Å; A432-Q435 PolarHBondContact O-N 3.42Å; L433-Q435 PolarHBondContact O-N 2.68Å; L433-Q435 VanDerWaalsContact O-N 3.16Å; Q435-D437 VanDerWaalsContact C-N 3.26Å; Q435-D437 PolarHBondContact O-N 2.92Å; Q435-K438 WeakPolarHBondContact O-CB 3.29Å; Q435-K438 PolarHBondContact O-N 3.15Å; Q435-M439 HydrophobicContact CB-CE 4.38Å; Q435-M439 WeakPolarHBondContact O-CG 3.28Å; Q435-M439 PolarHBondContact O-N 3.04Å |
| 436 | V | 89.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 171.3 | 166.1 | 0 | 0 | 0 | 0 | 110.4 | V358 R361 K362 L365 A432 L433 K438 M439 Y440 | V358-V436 HydrophobicContact CG1-CG1 3.89Å; R361-V436 HydrophobicContact CG-CG2 4.12Å; K362-V436 HydrophobicContact CB-CG1 3.78Å; K362-V436 HydrophobicContact CD-CG1 4.18Å; K362-V436 HydrophobicContact CG-CG1 4.1Å; L365-V436 HydrophobicContact CD1-CG2 3.92Å; A432-V436 PolarHBondContact O-N 3.23Å; A432-V436 VanDerWaalsContact O-N 3.09Å; L433-V436 PolarHBondContact O-N 2.96Å; L433-V436 VanDerWaalsContact O-N 3.15Å; V436-K438 PolarHBondContact O-N 3.24Å; V436-M439 WeakPolarHBondContact O-CB 3.17Å; V436-M439 PolarHBondContact O-N 2.66Å; V436-M439 VanDerWaalsContact O-N 3.14Å; V436-Y440 HydrophobicContact CG1-CD2 4.41Å; V436-Y440 HydrophobicContact CG1-CE2 3.84Å; V436-Y440 WeakPolarHBondContact O-CD2 3.48Å; V436-Y440 PolarHBondContact O-N 2.96Å |
| 437 | D | 87.4 | Confident | 79.4 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 176.5 | -70.1 | -30.4 | 0 | 0 | 0 | 113.4 | K362 L433 Q435 M439 Y440 L441 | K362-D437 WeakPolarHBondContact CE-OD1 3.34Å; K362-D437 IonicContact NZ-OD1 2.67Å; K362-D437 PolarHBondContact NZ-OD1 2.86Å; K362-D437 IonicContact NZ-OD2 3.17Å; L433-D437 PolarHBondContact O-N 3.15Å; Q435-D437 VanDerWaalsContact C-N 3.26Å; Q435-D437 PolarHBondContact O-N 2.92Å; D437-M439 VanDerWaalsContact C-N 3.32Å; D437-M439 PolarHBondContact O-N 3.24Å; D437-Y440 PolarHBondContact O-N 3.13Å; D437-L441 PolarHBondContact O-N 3.39Å |
| 438 | K | 85.8 | Confident | 76.8 | Confident | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 170.9 | -73.7 | 169.4 | -177.5 | -179.6 | 0 | 112.6 | K434 Q435 V436 Y440 L441 S442 | K434-K438 VanDerWaalsContact O-CG 3.31Å; K434-K438 WeakPolarHBondContact O-CG 3.34Å; K434-K438 PolarHBondContact O-N 3.43Å; Q435-K438 WeakPolarHBondContact O-CB 3.29Å; Q435-K438 PolarHBondContact O-N 3.15Å; V436-K438 PolarHBondContact O-N 3.24Å; K438-Y440 VanDerWaalsContact C-N 3.34Å; K438-Y440 PolarHBondContact O-N 3.31Å; K438-L441 PolarHBondContact O-N 3.1Å; K438-S442 PolarHBondContact O-N 2.88Å |
| 439 | M | 79.4 | Confident | 74 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 178.6 | -68.4 | -178.9 | -127.2 | 0 | 0 | 112.5 | Q435 V436 D437 S443 | Q435-M439 HydrophobicContact CB-CE 4.38Å; Q435-M439 WeakPolarHBondContact O-CG 3.28Å; Q435-M439 PolarHBondContact O-N 3.04Å; V436-M439 WeakPolarHBondContact O-CB 3.17Å; V436-M439 PolarHBondContact O-N 2.66Å; V436-M439 VanDerWaalsContact O-N 3.14Å; D437-M439 VanDerWaalsContact C-N 3.32Å; D437-M439 PolarHBondContact O-N 3.24Å; M439-S443 VanDerWaalsContact O-CB 3.28Å; M439-S443 WeakPolarHBondContact O-CB 3.28Å; M439-S443 PolarHBondContact O-N 3.27Å; M439-S443 VanDerWaalsContact O-N 3.13Å; M439-S443 PolarHBondContact O-OG 3.21Å |
| 440 | Y | 71.3 | Confident | 71.4 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 31% | 0.31 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 171.3 | -74.9 | -85.2 | 0 | 0 | 0 | 111.9 | V358 N359 K362 V436 D437 K438 S442 S443 G444 | V358-Y440 HydrophobicContact CG1-CD2 4.1Å; V358-Y440 HydrophobicContact CG1-CE2 3.56Å; N359-Y440 VanDerWaalsContact CA-OH 3.23Å; N359-Y440 WeakPolarHBondContact CA-OH 3.37Å; N359-Y440 VanDerWaalsContact CG-OH 3.25Å; N359-Y440 PolarHBondContact N-OH 3.43Å; N359-Y440 PolarHBondContact OD1-OH 2.97Å; K362-Y440 HydrophobicContact CD-CE2 4.07Å; V436-Y440 HydrophobicContact CG1-CD2 4.41Å; V436-Y440 HydrophobicContact CG1-CE2 3.84Å; V436-Y440 WeakPolarHBondContact O-CD2 3.48Å; V436-Y440 PolarHBondContact O-N 2.96Å; D437-Y440 PolarHBondContact O-N 3.13Å; K438-Y440 VanDerWaalsContact C-N 3.34Å; K438-Y440 PolarHBondContact O-N 3.31Å; Y440-S442 PolarHBondContact O-N 2.96Å; Y440-S443 WeakPolarHBondContact O-CB 3.27Å; Y440-S443 PolarHBondContact O-N 3.1Å; Y440-G444 PolarHBondContact O-N 3.1Å |
| 441 | L | 71.9 | Confident | 68.6 | Low | 140 Ų | 140 | 79 Ų | 79 | 73% | 0.733 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | -177.6 | -66.1 | 171.4 | 0 | 0 | 0 | 111.4 | D437 K438 S443 G444 | D437-L441 PolarHBondContact O-N 3.39Å; K438-L441 PolarHBondContact O-N 3.1Å; L441-S443 PolarHBondContact O-N 3.31Å; L441-G444 PolarHBondContact O-N 3.37Å |
| 442 | S | 65.8 | Low | 65.6 | Low | 80 Ų | 80 | 86.4 Ų | 86.4 | 56% | 0.559 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66 | -18.8 | 174.5 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | K438 Y440 S445 | K438-S442 PolarHBondContact O-N 2.88Å; Y440-S442 PolarHBondContact O-N 2.96Å; S442-S445 PolarHBondContact O-OG 3.12Å |
| 443 | S | 58.5 | Low | 62.9 | Low | 37 Ų | 37 | 92 Ų | 92 | 26% | 0.259 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -83.3 | -18.4 | 179.7 | -69.7 | 0 | 0 | 0 | 0 | 114 | R355 M439 Y440 L441 | R355-S443 PolarHBondContact NE-OG 3.45Å; R355-S443 VanDerWaalsContact NH2-CA 3.29Å; R355-S443 PolarHBondContact NH2-O 3.27Å; M439-S443 VanDerWaalsContact O-CB 3.28Å; M439-S443 WeakPolarHBondContact O-CB 3.28Å; M439-S443 PolarHBondContact O-N 3.27Å; M439-S443 VanDerWaalsContact O-N 3.13Å; M439-S443 PolarHBondContact O-OG 3.21Å; Y440-S443 WeakPolarHBondContact O-CB 3.27Å; Y440-S443 PolarHBondContact O-N 3.1Å; L441-S443 PolarHBondContact O-N 3.31Å |
| 444 | G | 53.2 | Low | 59.9 | Low | 47 Ų | 47 | 94.9 Ų | 94.9 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -88.9 | -26.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y440 L441 E446 | Y440-G444 PolarHBondContact O-N 3.1Å; L441-G444 PolarHBondContact O-N 3.37Å; G444-E446 VanDerWaalsContact C-N 3.34Å; G444-E446 PolarHBondContact O-N 3.24Å |
| 445 | S | 50.7 | Low | 57.2 | Low | 85 Ų | 85 | 95.4 Ų | 95.4 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -71.4 | -23.5 | -176.6 | 44 | 0 | 0 | 0 | 0 | 114.4 | S442 T447 | S442-S445 PolarHBondContact O-OG 3.12Å; S445-T447 VanDerWaalsContact C-N 3.31Å; S445-T447 PolarHBondContact O-N 3.18Å |
| 446 | E | 49.2 | Very low | 54.6 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -73.2 | -21.8 | -179.2 | -63.4 | -178.6 | 128.7 | 0 | 0 | 113 | R355 G444 Q448 | R355-E446 IonicContact CZ-OE2 2.82Å; R355-E446 IonicContact NH1-OE2 3.56Å; R355-E446 PolarHBondContact NH1-OE2 3.44Å; R355-E446 IonicContact NH2-OE2 3.97Å; R355-E446 PolarHBondContact NH2-OE2 3.28Å; G444-E446 VanDerWaalsContact C-N 3.34Å; G444-E446 PolarHBondContact O-N 3.24Å; E446-Q448 PolarHBondContact O-N 3.3Å |
| 447 | T | 44.6 | Very low | 52.1 | Low | 120 Ų | 120 | 109 Ų | 109 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -88.2 | 0.8 | -170.1 | -29 | 0 | 0 | 0 | 0 | 114.4 | S445 | S445-T447 VanDerWaalsContact C-N 3.31Å; S445-T447 PolarHBondContact O-N 3.18Å |
| 448 | Q | 42.6 | Very low | 49.6 | Very low | 186 Ų | 186 | 112 Ų | 112 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -118.5 | 8.1 | 176.2 | -82 | -173.3 | -34 | 0 | 0 | 114.1 | E446 | E446-Q448 PolarHBondContact O-N 3.3Š|
| 449 | G | 39.9 | Very low | 47.4 | Very low | 65 Ų | 65 | 113.1 Ų | 113.1 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -85.6 | -6.5 | -175 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 450 | S | 42.6 | Very low | 45.7 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -133.6 | 66.1 | -162.7 | -65.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 451 | S | 38 | Very low | 44.3 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -165.2 | 70.6 | 159.6 | 50.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 452 | E | 33.8 | Very low | 42.7 | Very low | 200 Ų | 200 | 123 Ų | 123 | 94% | 0.935 | 73% | 0.734 | S | S | * | * | trans | -160.7 | 130 | 131.5 | -119.6 | -175.5 | 149.2 | 0 | 0 | 112.1 | ||||
| 453 | S | 38.1 | Very low | 41.5 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 88% | 0.881 | 74% | 0.741 | S | S | * | * | trans | -123.9 | 119.3 | 164.8 | 56.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 454 | G | 31.6 | Very low | 40.8 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -143.6 | 85.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 455 | S | 38.1 | Very low | 40.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -68.7 | 130.5 | -179.6 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 456 | K | 34.5 | Very low | 40.3 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -153.6 | 108.7 | 160.2 | -122.4 | 168.6 | -171.4 | 171.1 | 0 | 112.8 | ||||
| 457 | S | 36.8 | Very low | 39.8 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -86 | 130.3 | 161.4 | 40.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 458 | T | 34.4 | Very low | 39.6 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | trans | -150.1 | 127 | 164 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 459 | D | 41.1 | Very low | 39.4 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -58.5 | 152.7 | 170.8 | -70.8 | -88.8 | 0 | 0 | 0 | 114.1 | ||||
| 460 | K | 43.3 | Very low | 39.4 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -161.4 | 127.5 | 134.2 | -108.7 | 158.8 | -170 | 176.9 | 0 | 111.9 | ||||
| 461 | M | 41.4 | Very low | 39.2 | Very low | 157 Ų | 157 | 156.7 Ų | 156.7 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -80.9 | 166.1 | 169.5 | -65.7 | 170.1 | 57.9 | 0 | 0 | 111.4 | ||||
| 462 | D | 38.7 | Very low | 39.3 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 66% | 0.663 | 83% | 0.826 | S | S | * | * | trans | 67 | 142.6 | 159.4 | -88.9 | -69.6 | 0 | 0 | 0 | 116.5 | ||||
| 463 | K | 40.9 | Very low | 39.7 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | cis | -162.6 | 148.9 | 20.9 | -155.6 | 147.7 | -177 | 166.6 | 0 | 114.2 | ||||
| 464 | H | 43.5 | Very low | 39.8 | Very low | 139 Ų | 139 | 159.1 Ų | 159.1 | 64% | 0.644 | 81% | 0.814 | S | S | * | * | trans | 70.9 | 128.6 | 145.3 | -99.3 | -142.2 | 0 | 0 | 0 | 124 | ||||
| 465 | R | 46.4 | Very low | 40.5 | Very low | 218 Ų | 218 | 166.1 Ų | 166.1 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | trans | 71.1 | 150.9 | 141.1 | -80.4 | -177 | 172.4 | 167.5 | -2.5 | 118.7 | ||||
| 466 | K | 46.6 | Very low | 40.7 | Very low | 265 Ų | 265 | 170.1 Ų | 170.1 | 100% | 1.152 | 81% | 0.814 | S | S | * | * | cis | -132 | 0 | 9.8 | -167.1 | -177.9 | 175.8 | -171.4 | 0 | 112.5 |
Retrieved 466 of 466 residues in 274.6 ms
(Link to these results)