| 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 | 27.3 | Very low | 36.2 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 100% | 1.143 | 78% | 0.78 | S | S | * | * | 0 | 144.4 | 0 | -77.3 | -61.5 | -174.8 | 0 | 0 | 108.6 | |||||
| 2 | P | 52.7 | Low | 36 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -140.3 | 167.7 | -36 | 38 | -22.7 | 0 | 0 | 0 | 114.4 | ||||
| 3 | A | 33.2 | Very low | 35.6 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 65.8 | 166.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 4 | V | 38 | Very low | 35.6 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | cis | -130.2 | 153.4 | 15.9 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | K | 34.4 | Very low | 35.3 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -49 | 156.6 | 176.1 | -59.2 | 174.5 | 161.1 | -146.7 | 0 | 115.8 | E7 | K5-E7 VanDerWaalsContact CD-OE2 3.26Å; K5-E7 WeakPolarHBondContact CD-OE2 3.47Å; K5-E7 VanDerWaalsContact CE-OE2 3.26Å; K5-E7 WeakPolarHBondContact CE-OE2 3.3Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.77Å | ||
| 6 | K | 38.4 | Very low | 35.2 | Very low | 213 Ų | 213 | 148.3 Ų | 148.3 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | -143.6 | 136.6 | 124.8 | -140.6 | 170.3 | -174.5 | 178.5 | 0 | 110.5 | |||||
| 7 | E | 32 | Very low | 34.9 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 49% | 0.486 | 79% | 0.792 | S | S | . | * | trans | -132.8 | 173 | -173.6 | -68.3 | 171.8 | 99.3 | 0 | 0 | 110.2 | K5 | K5-E7 VanDerWaalsContact CD-OE2 3.26Å; K5-E7 WeakPolarHBondContact CD-OE2 3.47Å; K5-E7 VanDerWaalsContact CE-OE2 3.26Å; K5-E7 WeakPolarHBondContact CE-OE2 3.3Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.77Å | ||
| 8 | F | 34.3 | Very low | 34.7 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 71.7 | 160.4 | 163.6 | -61.5 | -70.4 | 0 | 0 | 0 | 118.4 | ||||
| 9 | P | 46.1 | Very low | 34.5 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -120.6 | 178.5 | -5.5 | 30.3 | -10.3 | 0 | 0 | 0 | 114.4 | ||||
| 10 | G | 29 | Very low | 34.4 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -106.1 | -153.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 11 | R | 32.5 | Very low | 34.2 | Very low | 212 Ų | 212 | 143.5 Ų | 143.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 80.4 | 118 | -175.3 | -52.1 | -145.7 | 129.4 | 155.2 | 0.6 | 112.8 | ||||
| 12 | E | 33.8 | Very low | 34.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | 96.4 | 151.8 | 67.7 | -72.3 | 147.4 | -135.1 | 0 | 0 | 111 | |||||
| 13 | D | 30.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 59.1 | 107.7 | 167.3 | -57.4 | -23 | 0 | 0 | 0 | 122.3 | ||||
| 14 | L | 35.6 | Very low | 34.5 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -153.5 | 69.8 | 135.8 | -147.1 | 163 | 0 | 0 | 0 | 111.7 | ||||
| 15 | A | 30.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -154.1 | 57.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 16 | L | 34.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -149.1 | 110.5 | 167.2 | -163.8 | 70.8 | 0 | 0 | 0 | 115 | ||||
| 17 | A | 29.7 | Very low | 33.7 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -178.3 | 129.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 18 | L | 31.3 | Very low | 33.9 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | cis | -154.5 | 156.7 | -9.9 | -78.3 | 174.9 | 0 | 0 | 0 | 106.2 | ||||
| 19 | A | 31.8 | Very low | 34.2 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 60% | 0.595 | 78% | 0.781 | S | S | * | * | cis | -168 | 175 | -16.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | T | 32.5 | Very low | 33.5 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 36.9 | 117.5 | 152.6 | 53.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 21 | F | 29 | Very low | 35.1 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -174.1 | 151 | 93.3 | -103.9 | -76 | 0 | 0 | 0 | 112.5 | |||||
| 22 | H | 32.4 | Very low | 35.8 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -159.8 | 164.9 | 176 | -140.5 | -123.4 | 0 | 0 | 0 | 106.6 | ||||
| 23 | P | 54.4 | Low | 36 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 63% | 0.63 | 80% | 0.8 | S | S | * | * | cis | -123.1 | -146.6 | 17.8 | 27.8 | -0.8 | 0 | 0 | 0 | 112.1 | ||||
| 24 | T | 32.8 | Very low | 36.8 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | cis | -165 | 152.6 | 18 | -18.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 25 | L | 32.3 | Very low | 36.6 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 41.7 | 106.8 | 148.4 | -71.5 | 173.2 | 0 | 0 | 0 | 123.3 | ||||
| 26 | A | 32.2 | Very low | 36.5 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 69.5 | 157.4 | 105 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 27 | A | 30 | Very low | 36.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 97.3 | 130.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 28 | L | 36.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -98.8 | 157.7 | 164.2 | -65.7 | 165 | 0 | 0 | 0 | 108.4 | ||||
| 29 | P | 40.5 | Very low | 37.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | -151.6 | -153.5 | 87.9 | 40.8 | -19.8 | 0 | 0 | 0 | 115.7 | |||||
| 30 | L | 31.1 | Very low | 37.3 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -102.9 | -177.7 | -160 | -88.3 | 167.5 | 0 | 0 | 0 | 114.5 | ||||
| 31 | P | 62.7 | Low | 38.2 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -98.7 | -171.5 | -151.9 | 42.2 | -40 | 0 | 0 | 0 | 116 | ||||
| 32 | P | 45.8 | Very low | 38.5 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -148.9 | 176.5 | 108.5 | 40.5 | -24.5 | 0 | 0 | 0 | 117.5 | |||||
| 33 | L | 39.3 | Very low | 38.5 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -94.3 | 162.1 | 164.8 | -76.9 | 171.3 | 0 | 0 | 0 | 110 | ||||
| 34 | P | 47.7 | Very low | 37.4 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -162.6 | -179.7 | 67 | 44 | -21.4 | 0 | 0 | 0 | 120.3 | |||||
| 35 | G | 30.3 | Very low | 37.2 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 89.5 | 159.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 36 | Y | 30.3 | Very low | 37.2 | Very low | 220 Ų | 220 | 127.9 Ų | 127.9 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | cis | -165.1 | 170.9 | -7.1 | -146.7 | -84.8 | 0 | 0 | 0 | 110.5 | ||||
| 37 | L | 30.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 86.2 | 143.9 | 164.3 | -62.6 | 175.4 | 0 | 0 | 0 | 121.8 | ||||
| 38 | A | 32.1 | Very low | 39.6 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -129.4 | 175 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 39 | P | 48.2 | Very low | 39.3 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -154.6 | -172.6 | 72.6 | 41.5 | -19.4 | 0 | 0 | 0 | 117.5 | |||||
| 40 | L | 32 | Very low | 38.9 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -73.5 | 175.2 | 171.4 | -94.6 | 169 | 0 | 0 | 0 | 113.2 | ||||
| 41 | P | 52.6 | Low | 38.8 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -158.6 | -177.5 | 48.3 | 45.1 | -22.2 | 0 | 0 | 0 | 122.1 | ||||
| 42 | A | 33.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 78 | 146.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 43 | A | 33.5 | Very low | 37.7 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | cis | -169.8 | 171.8 | -17 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | A | 31.2 | Very low | 37.1 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 72.1 | 147.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 45 | A | 29.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | -159.6 | 177.6 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 46 | L | 31.2 | Very low | 36.1 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -147.3 | 179.2 | 179 | -87.4 | 176.4 | 0 | 0 | 0 | 109.1 | ||||
| 47 | P | 58.8 | Low | 36.1 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -120.3 | -129.7 | 1.9 | 27.2 | 0.1 | 0 | 0 | 0 | 109.8 | ||||
| 48 | P | 53.7 | Low | 35.9 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | -143.1 | -177.4 | -15 | 44.6 | -24.8 | 0 | 0 | 0 | 118.8 | ||||
| 49 | A | 30.9 | Very low | 35.9 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 89.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 50 | A | 31 | Very low | 35 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | 83.7 | 140.2 | 110.8 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 51 | S | 29.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 93.1 | 144.9 | 150.9 | 72.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 52 | L | 31.1 | Very low | 33.8 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -129.1 | -178.7 | 172.7 | -65.5 | 171.3 | 0 | 0 | 0 | 106.5 | ||||
| 53 | P | 53.8 | Low | 33.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -138.6 | -150.7 | 5 | 43.9 | -23.1 | 0 | 0 | 0 | 114 | ||||
| 54 | A | 27.6 | Very low | 33.4 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | 75.6 | 154.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 55 | S | 29 | Very low | 34.4 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | cis | -169.8 | 147.6 | -21.8 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 56 | A | 28 | Very low | 34.9 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 62.6 | 141 | 145.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 57 | A | 30.1 | Very low | 34.8 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 68 | 139.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 58 | G | 27.5 | Very low | 33.4 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 166.7 | 111.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 59 | Y | 31.1 | Very low | 32.7 | Very low | 211 Ų | 211 | 128.6 Ų | 128.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -66 | 138.5 | 168.7 | 60.9 | -87.3 | 0 | 0 | 0 | 109.7 | ||||
| 60 | E | 28.8 | Very low | 33.1 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | 88 | 154 | 76.7 | -150 | -136.8 | 145 | 0 | 0 | 114.3 | |||||
| 61 | A | 28.8 | Very low | 33.2 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 56% | 0.562 | 80% | 0.804 | S | S | * | * | trans | 81.8 | 96.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 62 | L | 31 | Very low | 33.1 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 77.8 | 162.1 | 123.3 | -62.6 | 173.6 | 0 | 0 | 0 | 122.6 | |||||
| 63 | L | 31.1 | Very low | 33 | Very low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | 84.9 | 124.2 | 163.4 | -51.7 | -174.9 | 0 | 0 | 0 | 119.7 | ||||
| 64 | A | 28.1 | Very low | 32 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -147 | 173.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 65 | P | 52.9 | Low | 31.9 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -108.9 | -159.7 | -26.6 | 40.6 | -26.1 | 0 | 0 | 0 | 109.2 | ||||
| 66 | P | 39.6 | Very low | 32 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | -161.6 | -177.4 | 74.9 | 45.3 | -23.1 | 0 | 0 | 0 | 118.5 | |||||
| 67 | L | 27.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | 78.3 | 150.3 | 156.6 | -59.4 | -173.3 | 0 | 0 | 0 | 123.3 | ||||
| 68 | R | 30.9 | Very low | 31.9 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -81.4 | 178.5 | 179.5 | -85.4 | 177 | 174.3 | 155.7 | -1 | 112.2 | ||||
| 69 | P | 39.3 | Very low | 32 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | cis | -147 | -149.3 | 29.5 | 47.5 | -25.6 | 0 | 0 | 0 | 113.9 | ||||
| 70 | P | 38.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -125.8 | -162.7 | -19.5 | 35.5 | -14.6 | 0 | 0 | 0 | 114.6 | ||||
| 71 | R | 32.4 | Very low | 31.8 | Very low | 231 Ų | 231 | 142.6 Ų | 142.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -106 | 152.1 | -177.6 | -73.4 | 168.5 | 149.2 | 148 | -10 | 114.1 | ||||
| 72 | A | 28.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -161.4 | 115.6 | 134.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 73 | Y | 28.9 | Very low | 31.5 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | cis | 78.2 | 87.4 | 44.9 | -147.2 | -70.5 | 0 | 0 | 0 | 114.5 | ||||
| 74 | L | 32.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 149 Ų | 149 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -152.8 | 155.3 | 137.6 | -105.5 | 176 | 0 | 0 | 0 | 108.7 | ||||
| 75 | S | 26 | Very low | 31.5 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | trans | -131.7 | 167.3 | -171.9 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 76 | L | 30.5 | Very low | 30.7 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 93 | 139.1 | 172.9 | -57.4 | 163.6 | 0 | 0 | 0 | 115.8 | ||||
| 77 | H | 28.9 | Very low | 31 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | 168.4 | 109.5 | -45.1 | 162.4 | -68.8 | 0 | 0 | 0 | 106.9 | ||||
| 78 | E | 26.3 | Very low | 31.6 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -150.3 | 157.5 | 162.5 | -128.5 | 169.6 | 140.8 | 0 | 0 | 113.8 | ||||
| 79 | A | 29.1 | Very low | 32.2 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -57.1 | 129.3 | -152 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 80 | A | 25.8 | Very low | 32.5 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -113.1 | 135.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 81 | P | 30.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | -72.7 | 150.9 | -177.6 | 29.8 | -35 | 0 | 0 | 0 | 112.6 | L83 | P81-L83 PolarHBondContact O-N 3.25Š| ||
| 82 | H | 26.9 | Very low | 34 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -62.4 | 103.8 | -171.5 | -56.5 | -70.2 | 0 | 0 | 0 | 114 | H84 | H82-H84 PolarHBondContact O-N 3.18Å; H82-H84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | L | 26.1 | Very low | 35.1 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | trans | -69.5 | 99.4 | 163.2 | -72.3 | 174.6 | 0 | 0 | 0 | 110 | P81 L85 | P81-L83 PolarHBondContact O-N 3.25Å; L83-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | H | 30 | Very low | 36.4 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -69.2 | 100.6 | 165.8 | -107.7 | -67.3 | 0 | 0 | 0 | 109.2 | H82 | H82-H84 PolarHBondContact O-N 3.18Å; H82-H84 VanDerWaalsContact O-N 3.09Å | ||
| 85 | L | 29.3 | Very low | 37.5 | Very low | 147 Ų | 147 | 122 Ų | 122 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.1 | 173.1 | -107.1 | 75.2 | 0 | 0 | 0 | 111 | L83 R87 | L83-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact O-N 3.09Å; L85-R87 PolarHBondContact O-N 3.2Å |
| 86 | P | 35.8 | Very low | 38.9 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123.5 | -179.5 | -23 | 34 | 0 | 0 | 0 | 112.1 | ||
| 87 | R | 47.2 | Very low | 40 | Very low | 210 Ų | 210 | 114.3 Ų | 114.3 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -80 | 121.4 | 170.8 | -161.9 | 172.2 | -171.4 | 147.9 | 4.9 | 109.3 | L85 R130 | L85-R87 PolarHBondContact O-N 3.2Å; R87-R130 PolarHBondContact O-NH2 3.17Å |
| 88 | D | 40.6 | Very low | 41.2 | Very low | 72 Ų | 72 | 109.4 Ų | 109.4 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | trans | 60 | 99.5 | 178.2 | -171 | 2.3 | 0 | 0 | 0 | 115.5 | L90 A91 R130 | D88-L90 WeakPolarHBondContact OD1-CA 3.42Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 2.89Å; D88-A91 HydrophobicContact CB-CB 4.05Å; D88-A91 PolarHBondContact OD1-N 3.26Å; D88-A91 VanDerWaalsContact OD1-N 3.08Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; D88-A91 PolarHBondContact OD2-N 3.38Å; D88-R130 PolarHBondContact O-NH2 3.19Å; D88-R130 VanDerWaalsContact O-NH2 3.15Å | ||
| 89 | P | 42.3 | Very low | 42.6 | Very low | 94 Ų | 94 | 100.5 Ų | 100.5 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -34.8 | 169.7 | -20.2 | 33 | 0 | 0 | 0 | 113.4 | A91 L92 E93 | P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.45Å; P89-L92 WeakPolarHBondContact O-CA 3.47Å; P89-L92 WeakPolarHBondContact O-CB 3.46Å; P89-L92 PolarHBondContact O-N 3.35Å; P89-E93 PolarHBondContact O-N 3.03Å |
| 90 | L | 47.2 | Very low | 43.6 | Very low | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71 | -22.9 | -177.3 | -55.4 | 176.2 | 0 | 0 | 0 | 111.8 | D88 R94 | D88-L90 WeakPolarHBondContact OD1-CA 3.42Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 2.89Å; L90-R94 VanDerWaalsContact CB-NH1 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-R94 PolarHBondContact O-NH1 3.44Å |
| 91 | A | 49.1 | Very low | 44.8 | Very low | 23 Ų | 23 | 99.5 Ų | 99.5 | 19% | 0.19 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D88 P89 F95 | D88-A91 HydrophobicContact CB-CB 4.05Å; D88-A91 PolarHBondContact OD1-N 3.26Å; D88-A91 VanDerWaalsContact OD1-N 3.08Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; D88-A91 PolarHBondContact OD2-N 3.38Å; P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.45Å; A91-F95 WeakPolarHBondContact O-CD2 3.45Å; A91-F95 PolarHBondContact O-N 3.47Å |
| 92 | L | 53 | Low | 46 | Very low | 38 Ų | 38 | 94.9 Ų | 94.9 | 20% | 0.199 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 176.1 | -179.5 | 63.8 | 0 | 0 | 0 | 110.2 | P89 R94 F95 S96 L109 P114 | P89-L92 WeakPolarHBondContact O-CA 3.47Å; P89-L92 WeakPolarHBondContact O-CB 3.46Å; P89-L92 PolarHBondContact O-N 3.35Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 2.87Å; L92-F95 CarbonylContact O-C 3.57Å; L92-F95 PolarHBondContact O-N 2.67Å; L92-F95 VanDerWaalsContact O-N 3.09Å; L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 3.44Å; L92-S96 VanDerWaalsContact O-OG 3.13Å; L92-L109 HydrophobicContact CD1-CD2 4.45Å; L92-L109 HydrophobicContact CD2-CD2 4.07Å; L92-P114 HydrophobicContact CD1-CB 4.21Å; L92-P114 HydrophobicContact CD1-CG 4.41Å |
| 93 | E | 50.8 | Low | 47.2 | Very low | 119 Ų | 119 | 91.2 Ų | 91.2 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58 | -41.9 | 177.8 | -76.1 | -56.6 | 106.6 | 0 | 0 | 113.2 | P89 F95 S96 A97 | P89-E93 PolarHBondContact O-N 3.03Å; E93-F95 PolarHBondContact O-N 2.62Å; E93-S96 PolarHBondContact O-N 3.38Å; E93-A97 VanDerWaalsContact O-CB 3.31Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 3.23Å |
| 94 | R | 56.2 | Low | 48.6 | Very low | 145 Ų | 145 | 87.6 Ų | 87.6 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 175.8 | -72.1 | 174.2 | -168.8 | 115.6 | -8 | 112.7 | L90 L92 T98 | L90-R94 VanDerWaalsContact CB-NH1 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-R94 PolarHBondContact O-NH1 3.44Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 2.87Å; R94-T98 WeakPolarHBondContact O-CB 3.45Å; R94-T98 PolarHBondContact O-N 3.37Å; R94-T98 VanDerWaalsContact O-N 3.11Å; R94-T98 PolarHBondContact O-OG1 3.44Å |
| 95 | F | 56.6 | Low | 50.2 | Low | 58 Ų | 58 | 79.3 Ų | 79.3 | 25% | 0.254 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 172.2 | -83 | -63.9 | 0 | 0 | 0 | 111.7 | A91 L92 E93 T98 A99 V129 | A91-F95 WeakPolarHBondContact O-CD2 3.45Å; A91-F95 PolarHBondContact O-N 3.47Å; L92-F95 CarbonylContact O-C 3.57Å; L92-F95 PolarHBondContact O-N 2.67Å; L92-F95 VanDerWaalsContact O-N 3.09Å; E93-F95 PolarHBondContact O-N 2.62Å; F95-T98 PolarHBondContact O-N 3.17Å; F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3Å; F95-V129 HydrophobicContact CD1-CG1 4.17Å; F95-V129 HydrophobicContact CE1-CG1 3.6Å; F95-V129 HydrophobicContact CE2-CG1 4.41Å; F95-V129 HydrophobicContact CZ-CG1 3.75Å |
| 96 | S | 54.6 | Low | 51.7 | Low | 36 Ų | 36 | 78.6 Ų | 78.6 | 25% | 0.252 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.5 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | L92 E93 A99 A100 | L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 3.44Å; L92-S96 VanDerWaalsContact O-OG 3.13Å; E93-S96 PolarHBondContact O-N 3.38Å; S96-A99 WeakPolarHBondContact O-CB 2.98Å; S96-A99 PolarHBondContact O-N 3.01Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.94Å |
| 97 | A | 53.3 | Low | 53.1 | Low | 62 Ų | 62 | 75.8 Ų | 75.8 | 51% | 0.512 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E93 A99 A100 A101 | E93-A97 VanDerWaalsContact O-CB 3.31Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 3.23Å; A97-A99 PolarHBondContact O-N 2.91Å; A97-A100 PolarHBondContact O-N 3.46Å; A97-A101 PolarHBondContact O-N 2.93Å; A97-A101 VanDerWaalsContact O-N 3.09Å |
| 98 | T | 55.4 | Low | 54.4 | Low | 63 Ų | 63 | 70 Ų | 70 | 39% | 0.387 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -28.8 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | R94 F95 I184 | R94-T98 WeakPolarHBondContact O-CB 3.45Å; R94-T98 PolarHBondContact O-N 3.37Å; R94-T98 VanDerWaalsContact O-N 3.11Å; R94-T98 PolarHBondContact O-OG1 3.44Å; F95-T98 PolarHBondContact O-N 3.17Å; T98-I184 HydrophobicContact CG2-CG1 4.12Å |
| 99 | A | 53.9 | Low | 56 | Low | 8 Ų | 8 | 71.4 Ų | 71.4 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -76.9 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F95 S96 A97 A101 A102 F105 P107 | F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3Å; S96-A99 WeakPolarHBondContact O-CB 2.98Å; S96-A99 PolarHBondContact O-N 3.01Å; A97-A99 PolarHBondContact O-N 2.91Å; A99-A101 PolarHBondContact O-N 3.07Å; A99-A102 CarbonylContact O-C 3.56Å; A99-A102 WeakPolarHBondContact O-CA 3.35Å; A99-A102 PolarHBondContact O-N 3.3Å; A99-F105 WeakPolarHBondContact CB-O 3.31Å; A99-P107 HydrophobicContact CB-CG 4.25Å |
| 100 | A | 51 | Low | 57.4 | Low | 80 Ų | 80 | 69 Ų | 69 | 66% | 0.661 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.4 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S96 A97 A102 | S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.94Å; A97-A100 PolarHBondContact O-N 3.46Å; A100-A102 PolarHBondContact O-N 3.15Å; A100-A102 VanDerWaalsContact O-N 3.12Å |
| 101 | A | 51.4 | Low | 58.5 | Low | 88 Ų | 88 | 70.8 Ų | 70.8 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -3.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A97 A99 | A97-A101 PolarHBondContact O-N 2.93Å; A97-A101 VanDerWaalsContact O-N 3.09Å; A99-A101 PolarHBondContact O-N 3.07Å |
| 102 | A | 56.5 | Low | 59.4 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -149 | 83.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A99 A100 D104 F105 | A99-A102 CarbonylContact O-C 3.56Å; A99-A102 WeakPolarHBondContact O-CA 3.35Å; A99-A102 PolarHBondContact O-N 3.3Å; A100-A102 PolarHBondContact O-N 3.15Å; A100-A102 VanDerWaalsContact O-N 3.12Å; A102-D104 PolarHBondContact O-N 2.97Å; A102-F105 HydrophobicContact CB-CD2 3.82Å; A102-F105 HydrophobicContact CB-CE2 4.44Å; A102-F105 PolarHBondContact O-N 2.97Å |
| 103 | P | 51 | Low | 60.6 | Low | 107 Ų | 107 | 71.8 Ų | 71.8 | 70% | 0.695 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.8 | -161.3 | 21.5 | -34.9 | 0 | 0 | 0 | 116.2 | F105 | P103-F105 PolarHBondContact O-N 3.28Š|
| 104 | D | 56.2 | Low | 62.1 | Low | 84 Ų | 84 | 66.2 Ų | 66.2 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.6 | 171.2 | -56.5 | -70.9 | 0 | 0 | 0 | 113.1 | A102 Q106 K172 K174 | A102-D104 PolarHBondContact O-N 2.97Å; D104-Q106 PolarHBondContact O-N 3.18Å; D104-K172 VanDerWaalsContact O-CD 3.25Å; D104-K172 WeakPolarHBondContact O-CD 3.49Å; D104-K172 WeakPolarHBondContact O-CE 3.19Å; D104-K172 PolarHBondContact O-NZ 2.93Å; D104-K174 VanDerWaalsContact CB-NZ 3.31Å; D104-K174 IonicContact OD2-NZ 3.44Å; D104-K174 PolarHBondContact OD2-NZ 2.72Å |
| 105 | F | 63.2 | Low | 63.6 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | trans | -92.8 | 100.6 | -176.9 | -63.7 | -65 | 0 | 0 | 0 | 110.6 | A99 A102 P103 H171 K174 L179 I184 | A99-F105 WeakPolarHBondContact CB-O 3.31Å; A102-F105 HydrophobicContact CB-CD2 3.82Å; A102-F105 HydrophobicContact CB-CE2 4.44Å; A102-F105 PolarHBondContact O-N 2.97Å; P103-F105 PolarHBondContact O-N 3.28Å; F105-H171 AromaticContact CD1-CD2 3.36Å; F105-H171 WeakPolarHBondContact CD1-CD2 3.33Å; F105-H171 AromaticContact CD1-NE2 3.66Å; F105-H171 AromaticContact CE1-CD2 3.4Å; F105-H171 VanDerWaalsContact CE1-CD2 3.4Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.41Å; F105-K174 HydrophobicContact CE1-CD 4.24Å; F105-K174 HydrophobicContact CE2-CD 4.09Å; F105-K174 HydrophobicContact CZ-CB 4.38Å; F105-K174 HydrophobicContact CZ-CD 3.48Å; F105-K174 VanDerWaalsContact CZ-CD 3.48Å; F105-L179 HydrophobicContact CD1-CD2 3.86Å; F105-L179 HydrophobicContact CD2-CD2 4.4Å; F105-L179 HydrophobicContact CE1-CD1 3.82Å; F105-L179 HydrophobicContact CE1-CD2 3.4Å; F105-L179 HydrophobicContact CE1-CG 3.73Å; F105-L179 HydrophobicContact CE2-CD2 3.96Å; F105-L179 HydrophobicContact CG-CD2 4.34Å; F105-L179 HydrophobicContact CZ-CD1 4.32Å; F105-L179 HydrophobicContact CZ-CD2 3.43Å; F105-L179 VanDerWaalsContact CZ-CD2 3.43Å; F105-L179 HydrophobicContact CZ-CG 3.74Å; F105-I184 HydrophobicContact CD2-CD1 3.78Å; F105-I184 HydrophobicContact CE2-CD1 3.69Å | ||
| 106 | Q | 59.7 | Low | 65.2 | Low | 132 Ų | 132 | 57.1 Ų | 57.1 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | trans | -105.1 | 108.8 | 169.5 | -72.6 | 167.4 | -32 | 0 | 0 | 107.6 | D104 L108 | D104-Q106 PolarHBondContact O-N 3.18Å; Q106-L108 PolarHBondContact O-N 3.36Å | ||
| 107 | P | 65.4 | Low | 66.9 | Low | 35 Ų | 35 | 58.5 Ų | 58.5 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | -68.4 | 124.9 | 170.5 | 28.2 | -31.8 | 0 | 0 | 0 | 108.9 | A99 P114 C115 | A99-P107 HydrophobicContact CB-CG 4.25Å; P107-P114 HydrophobicContact CB-CB 4.48Å; P107-C115 CarbonylContact C-O 3.59Å; P107-C115 WeakPolarHBondContact CA-O 3.31Å | ||
| 108 | L | 74.4 | Confident | 68.8 | Low | 89 Ų | 89 | 55.6 Ų | 55.6 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.3 | 168.8 | -68.8 | 151.7 | 0 | 0 | 0 | 107.7 | Q106 C115 E117 L126 | Q106-L108 PolarHBondContact O-N 3.36Å; L108-C115 PolarHBondContact N-O 3.42Å; L108-C115 PolarHBondContact O-N 3.43Å; L108-C115 PolarHBondContact O-SG 3.4Å; L108-C115 VanDerWaalsContact O-SG 3.4Å; L108-E117 HydrophobicContact CD1-CB 4.15Å; L108-L126 HydrophobicContact CD1-CD2 4.06Å |
| 109 | L | 74.6 | Confident | 70.6 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 95.7 | 173.7 | -78.8 | 74 | 0 | 0 | 0 | 108.6 | L92 | L92-L109 HydrophobicContact CD1-CD2 4.45Å; L92-L109 HydrophobicContact CD2-CD2 4.07Å |
| 110 | D | 72.1 | Confident | 72.4 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114 | 170.1 | 177.6 | 71.5 | 0 | 0 | 0 | 108.8 | G112 E113 Y128 R142 | D110-G112 PolarHBondContact O-N 3.29Å; D110-G112 VanDerWaalsContact O-N 3.17Å; D110-E113 PolarHBondContact N-O 2.61Å; D110-E113 VanDerWaalsContact N-O 3.14Å; D110-E113 PolarHBondContact O-N 2.77Å; D110-Y128 HydrophobicContact CB-CE1 4Å; D110-Y128 VanDerWaalsContact CG-OH 3.26Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y128 VanDerWaalsContact OD2-CZ 3.32Å; D110-Y128 PolarHBondContact OD2-OH 3.41Å; D110-R142 IonicContact OD2-NH1 3.01Å; D110-R142 PolarHBondContact OD2-NH1 3.42Å |
| 111 | N | 69.3 | Low | 74.1 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 33.7 | 179.2 | -56.4 | -74.4 | 0 | 0 | 0 | 113.9 | E113 | N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 2.77Å |
| 112 | G | 69.8 | Low | 75.8 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D110 | D110-G112 PolarHBondContact O-N 3.29Å; D110-G112 VanDerWaalsContact O-N 3.17Å |
| 113 | E | 76.6 | Confident | 77.4 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.6 | 173 | -75.6 | -81.9 | 103.5 | 0 | 0 | 110.8 | D110 N111 C115 Y128 R130 | D110-E113 PolarHBondContact N-O 2.61Å; D110-E113 VanDerWaalsContact N-O 3.14Å; D110-E113 PolarHBondContact O-N 2.77Å; N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 2.77Å; E113-C115 PolarHBondContact O-N 2.97Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.39Å; E113-R130 WeakPolarHBondContact OE1-CD 2.98Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.71Å; E113-R130 IonicContact OE1-NH1 3.98Å; E113-R130 PolarHBondContact OE1-NH1 3.09Å; E113-R130 WeakPolarHBondContact OE2-CB 3.32Å |
| 114 | P | 82.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 117.2 | 175.9 | 28.4 | -33.8 | 0 | 0 | 0 | 110.8 | L92 P107 V129 R130 | L92-P114 HydrophobicContact CD1-CB 4.21Å; L92-P114 HydrophobicContact CD1-CG 4.41Å; P107-P114 HydrophobicContact CB-CB 4.48Å; P114-V129 PolarHBondContact O-N 2.83Å; P114-R130 HydrophobicContact CG-CG 4.06Å |
| 115 | C | 89 | Confident | 81.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 160.3 | 172.9 | 71.8 | 0 | 0 | 0 | 0 | 111.2 | P107 L108 E113 L127 Y128 | P107-C115 CarbonylContact C-O 3.59Å; P107-C115 WeakPolarHBondContact CA-O 3.31Å; L108-C115 PolarHBondContact N-O 3.42Å; L108-C115 PolarHBondContact O-N 3.43Å; L108-C115 PolarHBondContact O-SG 3.4Å; L108-C115 VanDerWaalsContact O-SG 3.4Å; E113-C115 PolarHBondContact O-N 2.97Å; C115-L127 CarbonylContact C-O 3.4Å; C115-L127 WeakPolarHBondContact CA-O 3.34Å; C115-L127 WeakPolarHBondContact CB-O 3.4Å; C115-Y128 HydrophobicContact CB-CD1 4Å; C115-Y128 HydrophobicContact CB-CD2 4.27Å; C115-Y128 HydrophobicContact CB-CE1 4.28Å; C115-Y128 HydrophobicContact CB-CE2 4.49Å; C115-Y128 HydrophobicContact CB-CG 4.02Å |
| 116 | I | 89.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.2 | 173.3 | 62.2 | 168.4 | 0 | 0 | 0 | 109.2 | V118 L127 V129 H171 L179 L185 | I116-V118 HydrophobicContact CD1-CG1 4.34Å; I116-V118 HydrophobicContact CG1-CG1 4.19Å; I116-V118 PolarHBondContact O-N 2.82Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG1-CB 4.11Å; I116-L127 HydrophobicContact CG1-CD2 4.19Å; I116-L127 HydrophobicContact CG1-CG 4.3Å; I116-L127 PolarHBondContact N-O 3.46Å; I116-L127 PolarHBondContact O-N 3.08Å; I116-V129 HydrophobicContact CG2-CG2 4.28Å; I116-H171 HydrophobicContact CD1-CB 4.33Å; I116-L179 HydrophobicContact CD1-CD1 3.96Å; I116-L185 HydrophobicContact CD1-CD1 4.07Å; I116-L185 HydrophobicContact CD1-CD2 4.21Å |
| 117 | E | 91.1 | Very high | 84 | Confident | 65 Ų | 65 | 49 Ų | 49 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.9 | 175.5 | -173 | 177.2 | -155.2 | 0 | 0 | 110.1 | L108 R124 A125 L126 H171 | L108-E117 HydrophobicContact CD1-CB 4.15Å; E117-R124 IonicContact OE1-CZ 3.9Å; E117-R124 IonicContact OE1-NE 2.75Å; E117-R124 PolarHBondContact OE1-NE 2.67Å; E117-R124 IonicContact OE1-NH2 3.81Å; E117-R124 PolarHBondContact OE1-NH2 2.8Å; E117-R124 IonicContact OE2-CZ 2.75Å; E117-R124 IonicContact OE2-NE 3.64Å; E117-R124 IonicContact OE2-NH2 3.73Å; E117-R124 PolarHBondContact OE2-NH2 3.17Å; E117-A125 CarbonylContact C-O 3.46Å; E117-A125 WeakPolarHBondContact CA-O 3.37Å; E117-L126 HydrophobicContact CB-CD2 4.21Å; E117-L126 HydrophobicContact CG-CD2 4.5Å; E117-H171 PolarHBondContact O-ND1 2.86Å |
| 118 | V | 92.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.5 | 179 | -69 | 0 | 0 | 0 | 0 | 111.9 | I116 R124 A125 L127 I141 F153 I169 R170 L176 | I116-V118 HydrophobicContact CD1-CG1 4.34Å; I116-V118 HydrophobicContact CG1-CG1 4.19Å; I116-V118 PolarHBondContact O-N 2.82Å; V118-R124 CarbonylContact O-C 3.5Å; V118-R124 WeakPolarHBondContact O-CA 3.29Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 WeakPolarHBondContact CG2-O 3.49Å; V118-A125 PolarHBondContact N-O 3.18Å; V118-A125 PolarHBondContact O-N 2.81Å; V118-L127 HydrophobicContact CB-CB 4.38Å; V118-L127 HydrophobicContact CG1-CB 3.65Å; V118-L127 HydrophobicContact CG1-CD2 3.74Å; V118-L127 HydrophobicContact CG1-CG 4.36Å; V118-L127 HydrophobicContact CG2-CB 3.79Å; V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.19Å; V118-F153 HydrophobicContact CG2-CE1 4.03Å; V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.09Å; V118-I169 HydrophobicContact CG2-CG2 4.13Å; V118-R170 CarbonylContact C-O 3.55Å; V118-R170 WeakPolarHBondContact CA-O 3.41Å; V118-R170 WeakPolarHBondContact CB-O 3.44Å; V118-L176 HydrophobicContact CG1-CD2 4.12Å |
| 119 | E | 92.9 | Very high | 85.7 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.5 | 177.6 | 70.9 | -155.2 | 146 | 0 | 0 | 110.2 | N123 I169 R170 K172 G173 | E119-N123 CarbonylContact C-O 3.56Å; E119-N123 WeakPolarHBondContact CA-O 3.47Å; E119-I169 WeakPolarHBondContact O-CA 3.5Å; E119-R170 HydrophobicContact CG-CB 3.71Å; E119-R170 PolarHBondContact N-O 2.9Å; E119-R170 PolarHBondContact O-N 2.88Å; E119-R170 WeakPolarHBondContact OE1-CB 3.41Å; E119-K172 PolarHBondContact OE1-N 3.27Å; E119-G173 WeakPolarHBondContact OE1-CA 3.2Å; E119-G173 PolarHBondContact OE1-N 3.15Å |
| 120 | C | 91.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 108.9 | 171.3 | -162.6 | 0 | 0 | 0 | 0 | 108.6 | A122 N123 F153 S157 S168 I169 | C120-A122 PolarHBondContact O-N 3.45Å; C120-A122 VanDerWaalsContact O-N 3.14Å; C120-N123 PolarHBondContact N-O 3.07Å; C120-N123 PolarHBondContact O-N 3.21Å; C120-N123 VanDerWaalsContact O-N 3.09Å; C120-F153 HydrophobicContact CB-CD1 4.06Å; C120-F153 HydrophobicContact CB-CE1 3.47Å; C120-F153 VanDerWaalsContact CB-CE1 3.47Å; C120-F153 HydrophobicContact CB-CZ 3.84Å; C120-S157 VanDerWaalsContact O-CB 3.3Å; C120-S157 WeakPolarHBondContact O-CB 3.38Å; C120-S157 PolarHBondContact O-OG 3.3Å; C120-S168 PolarHBondContact SG-O 3.5Å; C120-I169 HydrophobicContact CB-CG1 4.15Å |
| 121 | G | 87.1 | Confident | 86.3 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -118.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 122 | A | 86.8 | Confident | 86.9 | Confident | 103 Ų | 103 | 36.8 Ų | 36.8 | 85% | 0.851 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -10.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C120 | C120-A122 PolarHBondContact O-N 3.45Å; C120-A122 VanDerWaalsContact O-N 3.14Å |
| 123 | N | 91.6 | Very high | 87.3 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.6 | -179.3 | -72.6 | -33.1 | 0 | 0 | 0 | 111.4 | E119 C120 F153 V156 S157 | E119-N123 CarbonylContact C-O 3.56Å; E119-N123 WeakPolarHBondContact CA-O 3.47Å; C120-N123 PolarHBondContact N-O 3.07Å; C120-N123 PolarHBondContact O-N 3.21Å; C120-N123 VanDerWaalsContact O-N 3.09Å; N123-F153 HydrophobicContact CB-CE2 3.92Å; N123-F153 HydrophobicContact CB-CZ 4.2Å; N123-V156 PolarHBondContact ND2-O 2.93Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.35Å; N123-S157 PolarHBondContact ND2-OG 2.9Å |
| 124 | R | 91.8 | Very high | 87.1 | Confident | 164 Ų | 164 | 35.5 Ų | 35.5 | 62% | 0.619 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.1 | 172.9 | -66.7 | 168.5 | 67 | 160.5 | 3.8 | 109.8 | E117 V118 H143 | E117-R124 IonicContact OE1-CZ 3.9Å; E117-R124 IonicContact OE1-NE 2.75Å; E117-R124 PolarHBondContact OE1-NE 2.67Å; E117-R124 IonicContact OE1-NH2 3.81Å; E117-R124 PolarHBondContact OE1-NH2 2.8Å; E117-R124 IonicContact OE2-CZ 2.75Å; E117-R124 IonicContact OE2-NE 3.64Å; E117-R124 IonicContact OE2-NH2 3.73Å; E117-R124 PolarHBondContact OE2-NH2 3.17Å; V118-R124 CarbonylContact O-C 3.5Å; V118-R124 WeakPolarHBondContact O-CA 3.29Å; R124-H143 PolarHBondContact O-CD2 3.19Å |
| 125 | A | 92.9 | Very high | 87.1 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 167.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E117 V118 I141 R142 H143 F153 | E117-A125 CarbonylContact C-O 3.46Å; E117-A125 WeakPolarHBondContact CA-O 3.37Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 WeakPolarHBondContact CG2-O 3.49Å; V118-A125 PolarHBondContact N-O 3.18Å; V118-A125 PolarHBondContact O-N 2.81Å; A125-I141 HydrophobicContact CB-CG2 3.43Å; A125-I141 VanDerWaalsContact CB-CG2 3.43Å; A125-R142 WeakPolarHBondContact CB-O 3.37Å; A125-H143 HydrophobicContact CB-CB 3.85Å; A125-F153 HydrophobicContact CB-CD2 4.14Å; A125-F153 HydrophobicContact CB-CE1 4.23Å; A125-F153 HydrophobicContact CB-CE2 3.51Å; A125-F153 HydrophobicContact CB-CZ 3.56Å |
| 126 | L | 92.4 | Very high | 86.7 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.2 | 178.7 | -63.9 | 176.4 | 0 | 0 | 0 | 111.1 | L108 E117 Y128 I141 R142 | L108-L126 HydrophobicContact CD1-CD2 4.06Å; E117-L126 HydrophobicContact CB-CD2 4.21Å; E117-L126 HydrophobicContact CG-CD2 4.5Å; L126-Y128 HydrophobicContact CB-CE2 4.07Å; L126-Y128 WeakPolarHBondContact O-CD2 3.49Å; L126-I141 CarbonylContact O-C 3.58Å; L126-I141 WeakPolarHBondContact O-CA 3.28Å; L126-R142 PolarHBondContact N-O 3.5Å; L126-R142 PolarHBondContact O-N 3.26Å |
| 127 | L | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.2 | 175.9 | 168.6 | 60.2 | 0 | 0 | 0 | 110.2 | C115 I116 V118 V129 L132 I141 L176 L185 | C115-L127 CarbonylContact C-O 3.4Å; C115-L127 WeakPolarHBondContact CA-O 3.34Å; C115-L127 WeakPolarHBondContact CB-O 3.4Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG1-CB 4.11Å; I116-L127 HydrophobicContact CG1-CD2 4.19Å; I116-L127 HydrophobicContact CG1-CG 4.3Å; I116-L127 PolarHBondContact N-O 3.46Å; I116-L127 PolarHBondContact O-N 3.08Å; V118-L127 HydrophobicContact CB-CB 4.38Å; V118-L127 HydrophobicContact CG1-CB 3.65Å; V118-L127 HydrophobicContact CG1-CD2 3.74Å; V118-L127 HydrophobicContact CG1-CG 4.36Å; V118-L127 HydrophobicContact CG2-CB 3.79Å; L127-V129 PolarHBondContact O-N 3.1Å; L127-L132 HydrophobicContact CD1-CB 4.3Å; L127-L132 HydrophobicContact CD1-CD1 4.1Å; L127-L132 HydrophobicContact CD1-CD2 4.32Å; L127-L132 HydrophobicContact CD1-CG 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; L127-I141 HydrophobicContact CB-CG1 4.19Å; L127-I141 HydrophobicContact CD1-CG1 3.75Å; L127-I141 HydrophobicContact CG-CG1 4.5Å; L127-L176 HydrophobicContact CD2-CD1 4.1Å; L127-L176 HydrophobicContact CD2-CD2 3.7Å; L127-L185 HydrophobicContact CD2-CD1 4.25Å |
| 128 | Y | 88.6 | Confident | 86 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 113.3 | -179.8 | -68 | -107.9 | 0 | 0 | 0 | 109.6 | D110 E113 C115 L126 R130 K131 L132 S140 R142 W147 | D110-Y128 HydrophobicContact CB-CE1 4Å; D110-Y128 VanDerWaalsContact CG-OH 3.26Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y128 VanDerWaalsContact OD2-CZ 3.32Å; D110-Y128 PolarHBondContact OD2-OH 3.41Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.39Å; C115-Y128 HydrophobicContact CB-CD1 4Å; C115-Y128 HydrophobicContact CB-CD2 4.27Å; C115-Y128 HydrophobicContact CB-CE1 4.28Å; C115-Y128 HydrophobicContact CB-CE2 4.49Å; C115-Y128 HydrophobicContact CB-CG 4.02Å; L126-Y128 HydrophobicContact CB-CE2 4.07Å; L126-Y128 WeakPolarHBondContact O-CD2 3.49Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.78Å; Y128-K131 HydrophobicContact CG-CD 4.38Å; Y128-K131 PolarHBondContact O-N 2.87Å; Y128-L132 PolarHBondContact O-N 3.19Å; Y128-S140 PolarHBondContact N-O 3.02Å; Y128-R142 HydrophobicContact CD2-CB 4.43Å; Y128-R142 HydrophobicContact CE2-CB 3.65Å; Y128-R142 WeakPolarHBondContact OH-CD 3.29Å; Y128-R142 PolarHBondContact OH-NH1 3.45Å; Y128-R142 VanDerWaalsContact OH-NH1 3.1Å; Y128-W147 HydrophobicContact CD1-CH2 4.06Å; Y128-W147 AromaticContact CD2-CH2 3.38Å; Y128-W147 HydrophobicContact CD2-CH2 3.38Å; Y128-W147 AromaticContact CD2-CZ3 3.42Å; Y128-W147 HydrophobicContact CD2-CZ3 3.42Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.42Å; Y128-W147 AromaticContact CE1-CH2 3.98Å; Y128-W147 HydrophobicContact CE1-CH2 3.98Å; Y128-W147 AromaticContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CZ2 4.24Å; Y128-W147 AromaticContact CE2-CZ3 3.72Å; Y128-W147 HydrophobicContact CE2-CZ3 3.72Å; Y128-W147 AromaticContact CG-CH2 3.76Å; Y128-W147 HydrophobicContact CG-CH2 3.76Å; Y128-W147 AromaticContact CG-CZ3 3.97Å; Y128-W147 HydrophobicContact CG-CZ3 3.97Å; Y128-W147 AromaticContact CZ-CH2 3.61Å |
| 129 | V | 86 | Confident | 85.7 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -61.8 | -43.4 | -169.8 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | F95 P114 I116 L127 K131 L132 L185 | F95-V129 HydrophobicContact CD1-CG1 4.17Å; F95-V129 HydrophobicContact CE1-CG1 3.6Å; F95-V129 HydrophobicContact CE2-CG1 4.41Å; F95-V129 HydrophobicContact CZ-CG1 3.75Å; P114-V129 PolarHBondContact O-N 2.83Å; I116-V129 HydrophobicContact CG2-CG2 4.28Å; L127-V129 PolarHBondContact O-N 3.1Å; V129-K131 PolarHBondContact O-N 3.18Å; V129-K131 VanDerWaalsContact O-N 3.17Å; V129-L132 PolarHBondContact O-N 2.61Å; V129-L185 HydrophobicContact CB-CD2 4.33Å; V129-L185 HydrophobicContact CG1-CD2 3.75Å; V129-L185 HydrophobicContact CG2-CD2 3.82Å |
| 130 | R | 78.5 | Confident | 85.6 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -64.6 | -13.5 | 175.5 | -71.7 | 177.5 | 175 | -171.7 | -10.3 | 114.6 | R87 D88 E113 P114 Y128 C133 | R87-R130 PolarHBondContact O-NH2 3.17Å; D88-R130 PolarHBondContact O-NH2 3.19Å; D88-R130 VanDerWaalsContact O-NH2 3.15Å; E113-R130 WeakPolarHBondContact OE1-CD 2.98Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.71Å; E113-R130 IonicContact OE1-NH1 3.98Å; E113-R130 PolarHBondContact OE1-NH1 3.09Å; E113-R130 WeakPolarHBondContact OE2-CB 3.32Å; P114-R130 HydrophobicContact CG-CG 4.06Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.78Å; R130-C133 PolarHBondContact O-SG 3.09Å |
| 131 | K | 81.5 | Confident | 85.6 | Confident | 80 Ų | 80 | 41 Ų | 41 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -101.9 | -14.3 | 177.4 | -60.7 | -175.7 | -176.5 | 178.5 | 0 | 113.2 | Y128 V129 C133 W147 | Y128-K131 HydrophobicContact CG-CD 4.38Å; Y128-K131 PolarHBondContact O-N 2.87Å; V129-K131 PolarHBondContact O-N 3.18Å; V129-K131 VanDerWaalsContact O-N 3.17Å; K131-C133 PolarHBondContact O-N 3.18Å; K131-W147 HydrophobicContact CD-CH2 3.88Å; K131-W147 HydrophobicContact CD-CZ3 3.7Å |
| 132 | L | 82.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -68.5 | -1.4 | 178 | -171.5 | 56.6 | 0 | 0 | 0 | 113.6 | L127 Y128 V129 Q134 G135 P150 W165 L185 V187 | L127-L132 HydrophobicContact CD1-CB 4.3Å; L127-L132 HydrophobicContact CD1-CD1 4.1Å; L127-L132 HydrophobicContact CD1-CD2 4.32Å; L127-L132 HydrophobicContact CD1-CG 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; Y128-L132 PolarHBondContact O-N 3.19Å; V129-L132 PolarHBondContact O-N 2.61Å; L132-Q134 PolarHBondContact O-N 2.82Å; L132-G135 PolarHBondContact O-N 3.32Å; L132-P150 HydrophobicContact CD1-CG 4.18Å; L132-W165 HydrophobicContact CD1-CH2 4.25Å; L132-W165 HydrophobicContact CD1-CZ3 4.33Å; L132-L185 HydrophobicContact CD2-CB 4.31Å; L132-L185 HydrophobicContact CD2-CD1 3.96Å; L132-L185 HydrophobicContact CD2-CD2 4.39Å; L132-L185 HydrophobicContact CD2-CG 4.47Å; L132-V187 HydrophobicContact CG-CG1 4.16Å |
| 133 | C | 77.1 | Confident | 86 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -45 | -38.5 | -176.7 | -60.3 | 0 | 0 | 0 | 0 | 115.1 | R130 K131 H188 | R130-C133 PolarHBondContact O-SG 3.09Å; K131-C133 PolarHBondContact O-N 3.18Å; C133-H188 HydrophobicContact CB-CB 4.46Å; C133-H188 WeakPolarHBondContact O-CB 3.37Å; C133-H188 PolarHBondContact O-N 3.01Å; C133-H188 PolarHBondContact SG-CE1 3.36Å |
| 134 | Q | 73.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -93.8 | 2.1 | 179.3 | -71.5 | -167.9 | -24.5 | 0 | 0 | 115.2 | L132 S136 K137 C197 S200 | L132-Q134 PolarHBondContact O-N 2.82Å; Q134-S136 PolarHBondContact O-N 2.96Å; Q134-K137 HydrophobicContact CB-CB 4.44Å; Q134-K137 PolarHBondContact O-N 3.34Å; Q134-C197 HydrophobicContact CG-CB 4.32Å; Q134-C197 PolarHBondContact NE2-O 2.84Å; Q134-S200 PolarHBondContact NE2-O 3.38Å; Q134-S200 PolarHBondContact NE2-OG 3.24Å; Q134-S200 PolarHBondContact OE1-O 2.96Å; Q134-S200 PolarHBondContact OE1-OG 3.05Å |
| 135 | G | 81.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | 56.4 | -121.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L132 K137 G138 P150 | L132-G135 PolarHBondContact O-N 3.32Å; G135-K137 VanDerWaalsContact C-N 3.25Å; G135-K137 PolarHBondContact O-N 3.01Å; G135-G138 PolarHBondContact O-N 2.98Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.06Å |
| 136 | S | 80.3 | Confident | 85.5 | Confident | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.6 | -16 | -176.2 | 41.1 | 0 | 0 | 0 | 0 | 116 | Q134 N151 | Q134-S136 PolarHBondContact O-N 2.96Å; S136-N151 VanDerWaalsContact CB-OD1 3.3Å; S136-N151 WeakPolarHBondContact CB-OD1 3.17Å |
| 137 | K | 80.7 | Confident | 85.4 | Confident | 159 Ų | 159 | 50.7 Ų | 50.7 | 69% | 0.691 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -95.4 | -15.3 | -177.2 | -63.3 | -171.6 | 179.4 | -177 | 0 | 114.3 | Q134 G135 | Q134-K137 HydrophobicContact CB-CB 4.44Å; Q134-K137 PolarHBondContact O-N 3.34Å; G135-K137 VanDerWaalsContact C-N 3.25Å; G135-K137 PolarHBondContact O-N 3.01Å |
| 138 | G | 84.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -105.9 | 130.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G135 S140 | G135-G138 PolarHBondContact O-N 2.98Å; G138-S140 PolarHBondContact O-N 2.82Å; G138-S140 PolarHBondContact O-OG 2.9Å |
| 139 | P | 87.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -64.2 | 117.7 | 171.2 | 27.4 | -32.8 | 0 | 0 | 0 | 109.1 | W147 | P139-W147 HydrophobicContact CB-CB 4.28Š| ||
| 140 | S | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -145.3 | -16 | -167.1 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | Y128 G138 L148 | Y128-S140 PolarHBondContact N-O 3.02Å; G138-S140 PolarHBondContact O-N 2.82Å; G138-S140 PolarHBondContact O-OG 2.9Å; S140-L148 PolarHBondContact N-O 3.08Å | ||
| 141 | I | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.4 | 175.6 | -59.6 | 179.3 | 0 | 0 | 0 | 108.4 | V118 A125 L126 L127 L148 P150 F153 I169 | V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.19Å; A125-I141 HydrophobicContact CB-CG2 3.43Å; A125-I141 VanDerWaalsContact CB-CG2 3.43Å; L126-I141 CarbonylContact O-C 3.58Å; L126-I141 WeakPolarHBondContact O-CA 3.28Å; L127-I141 HydrophobicContact CB-CG1 4.19Å; L127-I141 HydrophobicContact CD1-CG1 3.75Å; L127-I141 HydrophobicContact CG-CG1 4.5Å; I141-L148 PolarHBondContact N-O 2.97Å; I141-L148 PolarHBondContact O-N 3.42Å; I141-P150 HydrophobicContact CD1-CB 4.32Å; I141-P150 HydrophobicContact CD1-CG 4.38Å; I141-F153 HydrophobicContact CB-CB 4.46Å; I141-F153 HydrophobicContact CD1-CB 3.94Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.44Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.24Å; I141-F153 HydrophobicContact CG2-CD1 4.04Å; I141-F153 HydrophobicContact CG2-CD2 4.2Å; I141-F153 HydrophobicContact CG2-CE1 4.46Å; I141-F153 HydrophobicContact CG2-CG 3.89Å; I141-I169 HydrophobicContact CD1-CD1 3.89Å |
| 142 | R | 91.4 | Very high | 86.6 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.7 | 174.3 | -166.9 | 179.5 | -179.9 | -163.8 | -2.3 | 109.4 | D110 A125 L126 Y128 E146 W147 | D110-R142 IonicContact OD2-NH1 3.01Å; D110-R142 PolarHBondContact OD2-NH1 3.42Å; A125-R142 WeakPolarHBondContact CB-O 3.37Å; L126-R142 PolarHBondContact N-O 3.5Å; L126-R142 PolarHBondContact O-N 3.26Å; Y128-R142 HydrophobicContact CD2-CB 4.43Å; Y128-R142 HydrophobicContact CE2-CB 3.65Å; Y128-R142 WeakPolarHBondContact OH-CD 3.29Å; Y128-R142 PolarHBondContact OH-NH1 3.45Å; Y128-R142 VanDerWaalsContact OH-NH1 3.1Å; R142-E146 CarbonylContact C-O 3.2Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.44Å; R142-W147 HydrophobicContact CB-CE3 4.35Å; R142-W147 HydrophobicContact CB-CH2 4.39Å; R142-W147 HydrophobicContact CB-CZ3 4.27Å |
| 143 | H | 92.4 | Very high | 87 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.1 | -177 | 175.2 | -118.1 | 0 | 0 | 0 | 108.8 | R124 A125 G145 E146 L148 F153 | R124-H143 PolarHBondContact O-CD2 3.19Å; A125-H143 HydrophobicContact CB-CB 3.85Å; H143-G145 PolarHBondContact O-N 2.78Å; H143-E146 PolarHBondContact N-O 2.94Å; H143-E146 PolarHBondContact O-N 3.29Å; H143-L148 HydrophobicContact CB-CD1 3.95Å; H143-F153 HydrophobicContact CB-CD2 4.12Å; H143-F153 HydrophobicContact CB-CE2 4.28Å; H143-F153 AromaticContact CD2-CE2 3.87Å |
| 144 | R | 88.2 | Confident | 87.6 | Confident | 208 Ų | 208 | 53.1 Ų | 53.1 | 79% | 0.785 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 27.5 | -178.7 | -55.9 | 180 | -172.1 | -151.6 | 0.6 | 114.6 | ||
| 145 | G | 85.4 | Confident | 88.4 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -26.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H143 | H143-G145 PolarHBondContact O-N 2.78Š|
| 146 | E | 90.6 | Very high | 88.7 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 62% | 0.621 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 152.9 | -178.6 | -59.7 | -173.8 | 144.4 | 0 | 0 | 112.8 | R142 H143 | R142-E146 CarbonylContact C-O 3.2Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.44Å; H143-E146 PolarHBondContact N-O 2.94Å; H143-E146 PolarHBondContact O-N 3.29Å |
| 147 | W | 90.8 | Very high | 89 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 40% | 0.398 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.9 | 177.2 | -75.2 | 97.5 | 0 | 0 | 0 | 111.2 | Y128 K131 P139 R142 | Y128-W147 HydrophobicContact CD1-CH2 4.06Å; Y128-W147 AromaticContact CD2-CH2 3.38Å; Y128-W147 HydrophobicContact CD2-CH2 3.38Å; Y128-W147 AromaticContact CD2-CZ3 3.42Å; Y128-W147 HydrophobicContact CD2-CZ3 3.42Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.42Å; Y128-W147 AromaticContact CE1-CH2 3.98Å; Y128-W147 HydrophobicContact CE1-CH2 3.98Å; Y128-W147 AromaticContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CZ2 4.24Å; Y128-W147 AromaticContact CE2-CZ3 3.72Å; Y128-W147 HydrophobicContact CE2-CZ3 3.72Å; Y128-W147 AromaticContact CG-CH2 3.76Å; Y128-W147 HydrophobicContact CG-CH2 3.76Å; Y128-W147 AromaticContact CG-CZ3 3.97Å; Y128-W147 HydrophobicContact CG-CZ3 3.97Å; Y128-W147 AromaticContact CZ-CH2 3.61Å; K131-W147 HydrophobicContact CD-CH2 3.88Å; K131-W147 HydrophobicContact CD-CZ3 3.7Å; P139-W147 HydrophobicContact CB-CB 4.28Å; R142-W147 HydrophobicContact CB-CE3 4.35Å; R142-W147 HydrophobicContact CB-CH2 4.39Å; R142-W147 HydrophobicContact CB-CZ3 4.27Å |
| 148 | L | 90.1 | Very high | 89 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.6 | -178.6 | -56.3 | -177.7 | 0 | 0 | 0 | 111.6 | S140 I141 H143 E152 F153 V156 | S140-L148 PolarHBondContact N-O 3.08Å; I141-L148 PolarHBondContact N-O 2.97Å; I141-L148 PolarHBondContact O-N 3.42Å; H143-L148 HydrophobicContact CB-CD1 3.95Å; L148-E152 HydrophobicContact CB-CB 4.13Å; L148-E152 HydrophobicContact CD2-CB 4.24Å; L148-F153 HydrophobicContact CB-CB 4.29Å; L148-F153 HydrophobicContact CD1-CB 4.2Å; L148-F153 HydrophobicContact CD1-CD2 4.38Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å |
| 149 | T | 90.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | trans | -70.6 | 162 | 159.9 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | N151 E152 F153 | T149-N151 PolarHBondContact O-N 3.42Å; T149-E152 VanDerWaalsContact CB-OE2 3.23Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.42Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.27Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-N 2.85Å; T149-E152 VanDerWaalsContact OG1-N 3.16Å; T149-E152 PolarHBondContact OG1-OE2 2.88Å; T149-F153 PolarHBondContact O-N 3.02Å | ||
| 150 | P | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -27.2 | 172 | -25.9 | 36 | 0 | 0 | 0 | 114.2 | L132 G135 I141 Q154 W165 I169 | L132-P150 HydrophobicContact CD1-CG 4.18Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.06Å; I141-P150 HydrophobicContact CD1-CB 4.32Å; I141-P150 HydrophobicContact CD1-CG 4.38Å; P150-Q154 WeakPolarHBondContact O-CB 3.47Å; P150-Q154 PolarHBondContact O-N 2.73Å; P150-W165 HydrophobicContact CB-CB 4.29Å; P150-W165 HydrophobicContact CB-CD2 3.66Å; P150-W165 HydrophobicContact CB-CE3 3.4Å; P150-W165 VanDerWaalsContact CB-CE3 3.4Å; P150-W165 HydrophobicContact CB-CG 4.07Å; P150-W165 HydrophobicContact CB-CZ3 3.9Å; P150-W165 HydrophobicContact CG-CE3 4.09Å; P150-W165 HydrophobicContact CG-CH2 4.47Å; P150-W165 HydrophobicContact CG-CZ3 4.07Å; P150-I169 HydrophobicContact CB-CD1 3.95Å; P150-I169 WeakPolarHBondContact O-CD1 3.48Å |
| 151 | N | 89.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.6 | -46.5 | 175.3 | -72.4 | 6.8 | 0 | 0 | 0 | 111.4 | S136 T149 Q154 F155 | S136-N151 VanDerWaalsContact CB-OD1 3.3Å; S136-N151 WeakPolarHBondContact CB-OD1 3.17Å; T149-N151 PolarHBondContact O-N 3.42Å; N151-Q154 WeakPolarHBondContact O-CB 3.43Å; N151-Q154 PolarHBondContact O-N 2.98Å; N151-F155 PolarHBondContact O-N 3.21Å |
| 152 | E | 90.3 | Very high | 86.3 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 179.8 | -69.9 | 150.4 | 160.8 | 0 | 0 | 111.6 | L148 T149 Q154 F155 V156 | L148-E152 HydrophobicContact CB-CB 4.13Å; L148-E152 HydrophobicContact CD2-CB 4.24Å; T149-E152 VanDerWaalsContact CB-OE2 3.23Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.42Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.27Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-N 2.85Å; T149-E152 VanDerWaalsContact OG1-N 3.16Å; T149-E152 PolarHBondContact OG1-OE2 2.88Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.32Å; E152-F155 WeakPolarHBondContact O-CB 3.45Å; E152-F155 PolarHBondContact O-N 3.34Å; E152-V156 WeakPolarHBondContact O-CB 3.39Å; E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.09Å |
| 153 | F | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -36 | 174.5 | 179.3 | -122.7 | 0 | 0 | 0 | 112.3 | V118 C120 N123 A125 I141 H143 L148 T149 S157 I169 | V118-F153 HydrophobicContact CG2-CE1 4.03Å; C120-F153 HydrophobicContact CB-CD1 4.06Å; C120-F153 HydrophobicContact CB-CE1 3.47Å; C120-F153 VanDerWaalsContact CB-CE1 3.47Å; C120-F153 HydrophobicContact CB-CZ 3.84Å; N123-F153 HydrophobicContact CB-CE2 3.92Å; N123-F153 HydrophobicContact CB-CZ 4.2Å; A125-F153 HydrophobicContact CB-CD2 4.14Å; A125-F153 HydrophobicContact CB-CE1 4.23Å; A125-F153 HydrophobicContact CB-CE2 3.51Å; A125-F153 HydrophobicContact CB-CZ 3.56Å; I141-F153 HydrophobicContact CB-CB 4.46Å; I141-F153 HydrophobicContact CD1-CB 3.94Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.44Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.24Å; I141-F153 HydrophobicContact CG2-CD1 4.04Å; I141-F153 HydrophobicContact CG2-CD2 4.2Å; I141-F153 HydrophobicContact CG2-CE1 4.46Å; I141-F153 HydrophobicContact CG2-CG 3.89Å; H143-F153 HydrophobicContact CB-CD2 4.12Å; H143-F153 HydrophobicContact CB-CE2 4.28Å; H143-F153 AromaticContact CD2-CE2 3.87Å; L148-F153 HydrophobicContact CB-CB 4.29Å; L148-F153 HydrophobicContact CD1-CB 4.2Å; L148-F153 HydrophobicContact CD1-CD2 4.38Å; T149-F153 PolarHBondContact O-N 3.02Å; F153-S157 VanDerWaalsContact O-CB 3.27Å; F153-S157 WeakPolarHBondContact O-CB 3.29Å; F153-S157 PolarHBondContact O-N 2.9Å; F153-S157 PolarHBondContact O-OG 3.09Å; F153-I169 HydrophobicContact CD1-CD1 3.91Å; F153-I169 HydrophobicContact CD1-CG1 4Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.35Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å |
| 154 | Q | 89.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 80.4 Ų | 80.4 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 173.7 | -179.5 | -177.4 | -3.2 | 0 | 0 | 112.3 | P150 N151 E152 S157 R159 A162 W165 S168 | P150-Q154 WeakPolarHBondContact O-CB 3.47Å; P150-Q154 PolarHBondContact O-N 2.73Å; N151-Q154 WeakPolarHBondContact O-CB 3.43Å; N151-Q154 PolarHBondContact O-N 2.98Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.32Å; Q154-S157 PolarHBondContact O-N 3.29Å; Q154-R159 HydrophobicContact CG-CB 3.84Å; Q154-R159 WeakPolarHBondContact CG-O 3.47Å; Q154-R159 PolarHBondContact NE2-O 3.13Å; Q154-R159 PolarHBondContact O-N 3.19Å; Q154-A162 PolarHBondContact NE2-O 2.73Å; Q154-W165 VanDerWaalsContact OE1-CB 3.25Å; Q154-S168 PolarHBondContact NE2-OG 3.38Å |
| 155 | F | 88.7 | Confident | 85.3 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.4 | -52.4 | 176.8 | 178.7 | -94.1 | 0 | 0 | 0 | 111.4 | N151 E152 S157 G158 E160 | N151-F155 PolarHBondContact O-N 3.21Å; E152-F155 WeakPolarHBondContact O-CB 3.45Å; E152-F155 PolarHBondContact O-N 3.34Å; F155-S157 PolarHBondContact O-N 2.85Å; F155-G158 PolarHBondContact O-N 3.36Å; F155-E160 HydrophobicContact CD2-CB 3.74Å; F155-E160 HydrophobicContact CE2-CB 4.24Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.46Å |
| 156 | V | 88.1 | Confident | 85.6 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.6 | -17.3 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 112.8 | N123 L148 E152 | N123-V156 PolarHBondContact ND2-O 2.93Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å; E152-V156 WeakPolarHBondContact O-CB 3.39Å; E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.09Å |
| 157 | S | 86.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 16 | 178.4 | -57 | 0 | 0 | 0 | 0 | 114.6 | C120 N123 F153 Q154 F155 R159 | C120-S157 VanDerWaalsContact O-CB 3.3Å; C120-S157 WeakPolarHBondContact O-CB 3.38Å; C120-S157 PolarHBondContact O-OG 3.3Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.35Å; N123-S157 PolarHBondContact ND2-OG 2.9Å; F153-S157 VanDerWaalsContact O-CB 3.27Å; F153-S157 WeakPolarHBondContact O-CB 3.29Å; F153-S157 PolarHBondContact O-N 2.9Å; F153-S157 PolarHBondContact O-OG 3.09Å; Q154-S157 PolarHBondContact O-N 3.29Å; F155-S157 PolarHBondContact O-N 2.85Å; S157-R159 PolarHBondContact O-N 2.9Å |
| 158 | G | 82.2 | Confident | 85.5 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 68% | 0.68 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 19.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F155 | F155-G158 PolarHBondContact O-N 3.36Š|
| 159 | R | 79.3 | Confident | 85.5 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | trans | -113 | 26.9 | -179.4 | -70.2 | -178 | -179.7 | -97.4 | 0 | 112.2 | Q154 S157 T161 A162 | Q154-R159 HydrophobicContact CG-CB 3.84Å; Q154-R159 WeakPolarHBondContact CG-O 3.47Å; Q154-R159 PolarHBondContact NE2-O 3.13Å; Q154-R159 PolarHBondContact O-N 3.19Å; S157-R159 PolarHBondContact O-N 2.9Å; R159-T161 PolarHBondContact O-N 3.09Å; R159-A162 PolarHBondContact O-N 3.26Å | ||
| 160 | E | 72 | Confident | 85.6 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.6 | 178.6 | 60.4 | 175.8 | -167.6 | 0 | 0 | 113.9 | F155 A162 | F155-E160 HydrophobicContact CD2-CB 3.74Å; F155-E160 HydrophobicContact CE2-CB 4.24Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.46Å; E160-A162 PolarHBondContact O-N 3.17Å |
| 161 | T | 71.2 | Confident | 85.6 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 81% | 0.81 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.9 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | R159 | R159-T161 PolarHBondContact O-N 3.09Š|
| 162 | A | 72.3 | Confident | 85.4 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -91.2 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q154 R159 E160 D164 | Q154-A162 PolarHBondContact NE2-O 2.73Å; R159-A162 PolarHBondContact O-N 3.26Å; E160-A162 PolarHBondContact O-N 3.17Å; A162-D164 VanDerWaalsContact C-N 3.29Å; A162-D164 PolarHBondContact O-N 3.43Å | ||
| 163 | K | 77.9 | Confident | 85.2 | Confident | 205 Ų | 205 | 71 Ų | 71 | 89% | 0.891 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.6 | -11.4 | 179.3 | -155 | 168.8 | -177.1 | 174.6 | 0 | 114.1 | ||
| 164 | D | 85.9 | Confident | 85.1 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | trans | -105.3 | 79.7 | -170.9 | -90.8 | 9.8 | 0 | 0 | 0 | 112.7 | A162 K166 R167 S168 | A162-D164 VanDerWaalsContact C-N 3.29Å; A162-D164 PolarHBondContact O-N 3.43Å; D164-K166 PolarHBondContact O-N 3.38Å; D164-K166 VanDerWaalsContact O-N 3.09Å; D164-R167 HydrophobicContact CB-CB 4.03Å; D164-R167 HydrophobicContact CB-CG 3.92Å; D164-R167 PolarHBondContact O-N 3.22Å; D164-R167 VanDerWaalsContact OD2-CD 3.23Å; D164-R167 WeakPolarHBondContact OD2-CD 3.47Å; D164-R167 IonicContact OD2-CZ 3.44Å; D164-R167 IonicContact OD2-NE 3.59Å; D164-R167 PolarHBondContact OD2-NE 3.22Å; D164-S168 PolarHBondContact O-N 2.84Å; D164-S168 PolarHBondContact O-OG 2.76Å | ||
| 165 | W | 88.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 6% | 0.064 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -51.2 | -35.4 | 172.7 | 64.4 | -93.5 | 0 | 0 | 0 | 113.1 | L132 P150 Q154 R167 S168 I169 L176 M180 | L132-W165 HydrophobicContact CD1-CH2 4.25Å; L132-W165 HydrophobicContact CD1-CZ3 4.33Å; P150-W165 HydrophobicContact CB-CB 4.29Å; P150-W165 HydrophobicContact CB-CD2 3.66Å; P150-W165 HydrophobicContact CB-CE3 3.4Å; P150-W165 VanDerWaalsContact CB-CE3 3.4Å; P150-W165 HydrophobicContact CB-CG 4.07Å; P150-W165 HydrophobicContact CB-CZ3 3.9Å; P150-W165 HydrophobicContact CG-CE3 4.09Å; P150-W165 HydrophobicContact CG-CH2 4.47Å; P150-W165 HydrophobicContact CG-CZ3 4.07Å; Q154-W165 VanDerWaalsContact OE1-CB 3.25Å; W165-R167 PolarHBondContact O-N 3.17Å; W165-S168 PolarHBondContact O-N 3.15Å; W165-I169 HydrophobicContact CB-CD1 4.31Å; W165-I169 PolarHBondContact O-N 3.38Å; W165-L176 HydrophobicContact CE3-CD1 4.02Å; W165-L176 HydrophobicContact CZ3-CD1 3.89Å; W165-M180 HydrophobicContact CH2-SD 4.4Å |
| 166 | K | 90.3 | Very high | 85.2 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -22.6 | 176.4 | -56.6 | -177.4 | -179.6 | 179.2 | 0 | 113.5 | D164 L176 K177 M180 | D164-K166 PolarHBondContact O-N 3.38Å; D164-K166 VanDerWaalsContact O-N 3.09Å; K166-L176 PolarHBondContact O-N 3.17Å; K166-K177 HydrophobicContact CB-CB 3.99Å; K166-K177 WeakPolarHBondContact O-CB 3.41Å; K166-K177 PolarHBondContact O-N 3.46Å; K166-M180 HydrophobicContact CD-CE 4.28Å; K166-M180 HydrophobicContact CD-SD 3.98Å; K166-M180 HydrophobicContact CG-SD 4.2Å |
| 167 | R | 89.7 | Confident | 85.3 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -100.8 | -34.9 | 175.3 | -63.3 | -176.5 | -170 | -110 | 15 | 112.5 | D164 W165 | D164-R167 HydrophobicContact CB-CB 4.03Å; D164-R167 HydrophobicContact CB-CG 3.92Å; D164-R167 PolarHBondContact O-N 3.22Å; D164-R167 VanDerWaalsContact OD2-CD 3.23Å; D164-R167 WeakPolarHBondContact OD2-CD 3.47Å; D164-R167 IonicContact OD2-CZ 3.44Å; D164-R167 IonicContact OD2-NE 3.59Å; D164-R167 PolarHBondContact OD2-NE 3.22Å; W165-R167 PolarHBondContact O-N 3.17Å |
| 168 | S | 89.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | -178.8 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | C120 Q154 D164 W165 | C120-S168 PolarHBondContact SG-O 3.5Å; Q154-S168 PolarHBondContact NE2-OG 3.38Å; D164-S168 PolarHBondContact O-N 2.84Å; D164-S168 PolarHBondContact O-OG 2.76Å; W165-S168 PolarHBondContact O-N 3.15Å |
| 169 | I | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -94.8 | 137.2 | 178.6 | -55 | 164.3 | 0 | 0 | 0 | 109.8 | V118 E119 C120 I141 P150 F153 W165 L176 | V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.09Å; V118-I169 HydrophobicContact CG2-CG2 4.13Å; E119-I169 WeakPolarHBondContact O-CA 3.5Å; C120-I169 HydrophobicContact CB-CG1 4.15Å; I141-I169 HydrophobicContact CD1-CD1 3.89Å; P150-I169 HydrophobicContact CB-CD1 3.95Å; P150-I169 WeakPolarHBondContact O-CD1 3.48Å; F153-I169 HydrophobicContact CD1-CD1 3.91Å; F153-I169 HydrophobicContact CD1-CG1 4Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.35Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å; W165-I169 HydrophobicContact CB-CD1 4.31Å; W165-I169 PolarHBondContact O-N 3.38Å; I169-L176 HydrophobicContact CB-CD1 3.7Å; I169-L176 HydrophobicContact CB-CG 4Å; I169-L176 HydrophobicContact CD1-CD1 4.25Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.49Å; I169-L176 HydrophobicContact CG2-CG 3.89Å; I169-L176 PolarHBondContact O-N 3.21Å | ||
| 170 | R | 91.4 | Very high | 86.1 | Confident | 113 Ų | 113 | 64.7 Ų | 64.7 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.6 | -175.7 | -68.6 | 164.8 | -175.4 | -101.3 | 3.1 | 111.3 | V118 E119 G173 K174 | V118-R170 CarbonylContact C-O 3.55Å; V118-R170 WeakPolarHBondContact CA-O 3.41Å; V118-R170 WeakPolarHBondContact CB-O 3.44Å; E119-R170 HydrophobicContact CG-CB 3.71Å; E119-R170 PolarHBondContact N-O 2.9Å; E119-R170 PolarHBondContact O-N 2.88Å; E119-R170 WeakPolarHBondContact OE1-CB 3.41Å; R170-G173 WeakPolarHBondContact CD-O 3.4Å; R170-G173 PolarHBondContact NH1-O 3.2Å; R170-K174 CarbonylContact C-O 3.45Å; R170-K174 WeakPolarHBondContact CA-O 3.47Å; R170-K174 WeakPolarHBondContact CB-O 3.49Å |
| 171 | H | 91.3 | Very high | 86.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.019 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.1 | 165.7 | 172.2 | 95 | 0 | 0 | 0 | 106.9 | F105 I116 E117 G173 K174 L179 | F105-H171 AromaticContact CD1-CD2 3.36Å; F105-H171 WeakPolarHBondContact CD1-CD2 3.33Å; F105-H171 AromaticContact CD1-NE2 3.66Å; F105-H171 AromaticContact CE1-CD2 3.4Å; F105-H171 VanDerWaalsContact CE1-CD2 3.4Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.41Å; I116-H171 HydrophobicContact CD1-CB 4.33Å; E117-H171 PolarHBondContact O-ND1 2.86Å; H171-G173 VanDerWaalsContact C-N 3.31Å; H171-G173 PolarHBondContact O-N 3.08Å; H171-K174 PolarHBondContact N-O 3.02Å; H171-K174 WeakPolarHBondContact O-CB 3.44Å; H171-K174 PolarHBondContact O-N 3.5Å; H171-L179 HydrophobicContact CB-CD1 4.07Å |
| 172 | K | 86 | Confident | 87.4 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 53.1 | -177.3 | -57.6 | 179.9 | -172.9 | -178 | 0 | 111.4 | D104 E119 K174 | D104-K172 VanDerWaalsContact O-CD 3.25Å; D104-K172 WeakPolarHBondContact O-CD 3.49Å; D104-K172 WeakPolarHBondContact O-CE 3.19Å; D104-K172 PolarHBondContact O-NZ 2.93Å; E119-K172 PolarHBondContact OE1-N 3.27Å; K172-K174 PolarHBondContact O-N 3.13Å |
| 173 | G | 85.3 | Confident | 87.7 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -25.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | E119 R170 H171 | E119-G173 WeakPolarHBondContact OE1-CA 3.2Å; E119-G173 PolarHBondContact OE1-N 3.15Å; R170-G173 WeakPolarHBondContact CD-O 3.4Å; R170-G173 PolarHBondContact NH1-O 3.2Å; H171-G173 VanDerWaalsContact C-N 3.31Å; H171-G173 PolarHBondContact O-N 3.08Å |
| 174 | K | 89.6 | Confident | 87.8 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.7 | -174.2 | -61.4 | 171.9 | -173.9 | 176.5 | 0 | 111.2 | D104 F105 R170 H171 K172 | D104-K174 VanDerWaalsContact CB-NZ 3.31Å; D104-K174 IonicContact OD2-NZ 3.44Å; D104-K174 PolarHBondContact OD2-NZ 2.72Å; F105-K174 HydrophobicContact CE1-CD 4.24Å; F105-K174 HydrophobicContact CE2-CD 4.09Å; F105-K174 HydrophobicContact CZ-CB 4.38Å; F105-K174 HydrophobicContact CZ-CD 3.48Å; F105-K174 VanDerWaalsContact CZ-CD 3.48Å; R170-K174 CarbonylContact C-O 3.45Å; R170-K174 WeakPolarHBondContact CA-O 3.47Å; R170-K174 WeakPolarHBondContact CB-O 3.49Å; H171-K174 PolarHBondContact N-O 3.02Å; H171-K174 WeakPolarHBondContact O-CB 3.44Å; H171-K174 PolarHBondContact O-N 3.5Å; K172-K174 PolarHBondContact O-N 3.13Å |
| 175 | S | 91.7 | Very high | 87.7 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 150.6 | -177.6 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | K177 T178 L179 | S175-K177 PolarHBondContact O-N 3.13Å; S175-T178 WeakPolarHBondContact O-CA 3.44Å; S175-T178 WeakPolarHBondContact O-CB 3.31Å; S175-T178 PolarHBondContact O-N 2.8Å; S175-T178 PolarHBondContact OG-N 3.27Å; S175-T178 PolarHBondContact OG-OG1 3.09Å; S175-L179 PolarHBondContact O-N 2.78Å; S175-L179 VanDerWaalsContact O-N 3.1Å |
| 176 | L | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.2 | -34.1 | 172 | -67.9 | -173.7 | 0 | 0 | 0 | 111.9 | V118 L127 W165 K166 I169 T178 L179 M180 L185 | V118-L176 HydrophobicContact CG1-CD2 4.12Å; L127-L176 HydrophobicContact CD2-CD1 4.1Å; L127-L176 HydrophobicContact CD2-CD2 3.7Å; W165-L176 HydrophobicContact CE3-CD1 4.02Å; W165-L176 HydrophobicContact CZ3-CD1 3.89Å; K166-L176 PolarHBondContact O-N 3.17Å; I169-L176 HydrophobicContact CB-CD1 3.7Å; I169-L176 HydrophobicContact CB-CG 4Å; I169-L176 HydrophobicContact CD1-CD1 4.25Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.49Å; I169-L176 HydrophobicContact CG2-CG 3.89Å; I169-L176 PolarHBondContact O-N 3.21Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.06Å; L176-L179 HydrophobicContact CD2-CD1 4.05Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.32Å; L176-M180 WeakPolarHBondContact O-CB 3.33Å; L176-M180 WeakPolarHBondContact O-CG 3.31Å; L176-M180 PolarHBondContact O-N 3.11Å; L176-L185 HydrophobicContact CD2-CD1 3.66Å |
| 177 | K | 90.3 | Very high | 86.7 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 173.6 | -173.7 | 174.2 | 178.1 | 175.9 | 0 | 111.6 | K166 S175 M180 S181 | K166-K177 HydrophobicContact CB-CB 3.99Å; K166-K177 WeakPolarHBondContact O-CB 3.41Å; K166-K177 PolarHBondContact O-N 3.46Å; S175-K177 PolarHBondContact O-N 3.13Å; K177-M180 PolarHBondContact O-N 2.69Å; K177-S181 PolarHBondContact O-N 3.15Å; K177-S181 PolarHBondContact O-OG 3.35Å; K177-S181 VanDerWaalsContact O-OG 3.11Å |
| 178 | T | 89.4 | Confident | 86.1 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.8 | -47.7 | 0 | 0 | 0 | 0 | 111.7 | S175 L176 S181 K182 | S175-T178 WeakPolarHBondContact O-CA 3.44Å; S175-T178 WeakPolarHBondContact O-CB 3.31Å; S175-T178 PolarHBondContact O-N 2.8Å; S175-T178 PolarHBondContact OG-N 3.27Å; S175-T178 PolarHBondContact OG-OG1 3.09Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.06Å; T178-S181 WeakPolarHBondContact CA-OG 3.39Å; T178-S181 PolarHBondContact O-OG 3.37Å; T178-K182 WeakPolarHBondContact O-CG 3.32Å; T178-K182 PolarHBondContact O-N 3.28Å; T178-K182 VanDerWaalsContact O-N 3.14Å |
| 179 | L | 87.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.6 | -95.9 | 164.6 | 0 | 0 | 0 | 112.5 | F105 I116 H171 S175 L176 K182 G183 I184 L185 | F105-L179 HydrophobicContact CD1-CD2 3.86Å; F105-L179 HydrophobicContact CD2-CD2 4.4Å; F105-L179 HydrophobicContact CE1-CD1 3.82Å; F105-L179 HydrophobicContact CE1-CD2 3.4Å; F105-L179 HydrophobicContact CE1-CG 3.73Å; F105-L179 HydrophobicContact CE2-CD2 3.96Å; F105-L179 HydrophobicContact CG-CD2 4.34Å; F105-L179 HydrophobicContact CZ-CD1 4.32Å; F105-L179 HydrophobicContact CZ-CD2 3.43Å; F105-L179 VanDerWaalsContact CZ-CD2 3.43Å; F105-L179 HydrophobicContact CZ-CG 3.74Å; I116-L179 HydrophobicContact CD1-CD1 3.96Å; H171-L179 HydrophobicContact CB-CD1 4.07Å; S175-L179 PolarHBondContact O-N 2.78Å; S175-L179 VanDerWaalsContact O-N 3.1Å; L176-L179 HydrophobicContact CD2-CD1 4.05Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 2.79Å; L179-G183 PolarHBondContact O-N 3.09Å; L179-I184 HydrophobicContact CD2-CB 3.69Å; L179-I184 HydrophobicContact CD2-CD1 3.97Å; L179-I184 HydrophobicContact CD2-CG1 4.44Å; L179-I184 HydrophobicContact CD2-CG2 3.52Å; L179-I184 PolarHBondContact O-N 2.88Å; L179-L185 HydrophobicContact CB-CB 4.35Å; L179-L185 HydrophobicContact CB-CD1 3.82Å; L179-L185 HydrophobicContact CB-CG 3.99Å; L179-L185 HydrophobicContact CD1-CD1 3.86Å; L179-L185 HydrophobicContact CD1-CG 4.39Å; L179-L185 HydrophobicContact CD2-CG 4.26Å; L179-L185 HydrophobicContact CG-CD1 4.32Å; L179-L185 HydrophobicContact CG-CG 4.47Å; L179-L185 PolarHBondContact O-N 2.93Å |
| 180 | M | 87.6 | Confident | 84 | Confident | 35 Ų | 35 | 60 Ų | 60 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 177.1 | -65.4 | 167.5 | 78.6 | 0 | 0 | 111.8 | W165 K166 L176 K177 K182 G183 L185 V187 | W165-M180 HydrophobicContact CH2-SD 4.4Å; K166-M180 HydrophobicContact CD-CE 4.28Å; K166-M180 HydrophobicContact CD-SD 3.98Å; K166-M180 HydrophobicContact CG-SD 4.2Å; L176-M180 WeakPolarHBondContact O-CB 3.33Å; L176-M180 WeakPolarHBondContact O-CG 3.31Å; L176-M180 PolarHBondContact O-N 3.11Å; K177-M180 PolarHBondContact O-N 2.69Å; M180-K182 PolarHBondContact O-N 3.49Å; M180-G183 PolarHBondContact O-N 3.17Å; M180-G183 VanDerWaalsContact O-N 3.09Å; M180-L185 WeakPolarHBondContact CA-O 3.49Å; M180-L185 HydrophobicContact CG-CB 4.03Å; M180-V187 HydrophobicContact CE-CB 4.13Å; M180-V187 HydrophobicContact CE-CG1 3.55Å; M180-V187 HydrophobicContact CE-CG2 3.45Å; M180-V187 VanDerWaalsContact CE-CG2 3.45Å |
| 181 | S | 85.8 | Confident | 82.8 | Confident | 96 Ų | 96 | 62 Ų | 62 | 67% | 0.671 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.1 | -18.2 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 114 | K177 T178 | K177-S181 PolarHBondContact O-N 3.15Å; K177-S181 PolarHBondContact O-OG 3.35Å; K177-S181 VanDerWaalsContact O-OG 3.11Å; T178-S181 WeakPolarHBondContact CA-OG 3.39Å; T178-S181 PolarHBondContact O-OG 3.37Å |
| 182 | K | 84 | Confident | 82 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.8 | 172.4 | -74.8 | -167.3 | 172.2 | -153.4 | 0 | 113.6 | T178 L179 M180 I184 | T178-K182 WeakPolarHBondContact O-CG 3.32Å; T178-K182 PolarHBondContact O-N 3.28Å; T178-K182 VanDerWaalsContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 2.79Å; M180-K182 PolarHBondContact O-N 3.49Å; K182-I184 HydrophobicContact CB-CD1 3.84Å; K182-I184 HydrophobicContact CB-CG1 4.1Å; K182-I184 HydrophobicContact CD-CD1 4.29Å; K182-I184 PolarHBondContact O-N 3.32Å; K182-I184 VanDerWaalsContact O-N 3.09Å |
| 183 | G | 78.1 | Confident | 81 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -9.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L179 M180 L185 Q186 | L179-G183 PolarHBondContact O-N 3.09Å; M180-G183 PolarHBondContact O-N 3.17Å; M180-G183 VanDerWaalsContact O-N 3.09Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 3.32Å; G183-Q186 WeakPolarHBondContact O-CG 3.23Å; G183-Q186 PolarHBondContact O-NE2 3.46Å |
| 184 | I | 81.4 | Confident | 80.5 | Confident | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -64.3 | -36.4 | -178.8 | -57.5 | 163.7 | 0 | 0 | 0 | 111.1 | T98 F105 L179 K182 | T98-I184 HydrophobicContact CG2-CG1 4.12Å; F105-I184 HydrophobicContact CD2-CD1 3.78Å; F105-I184 HydrophobicContact CE2-CD1 3.69Å; L179-I184 HydrophobicContact CD2-CB 3.69Å; L179-I184 HydrophobicContact CD2-CD1 3.97Å; L179-I184 HydrophobicContact CD2-CG1 4.44Å; L179-I184 HydrophobicContact CD2-CG2 3.52Å; L179-I184 PolarHBondContact O-N 2.88Å; K182-I184 HydrophobicContact CB-CD1 3.84Å; K182-I184 HydrophobicContact CB-CG1 4.1Å; K182-I184 HydrophobicContact CD-CD1 4.29Å; K182-I184 PolarHBondContact O-N 3.32Å; K182-I184 VanDerWaalsContact O-N 3.09Å |
| 185 | L | 83.8 | Confident | 79.3 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -113.8 | 112.3 | 171.9 | -70.2 | -175 | 0 | 0 | 0 | 111.5 | I116 L127 V129 L132 L176 L179 M180 G183 | I116-L185 HydrophobicContact CD1-CD1 4.07Å; I116-L185 HydrophobicContact CD1-CD2 4.21Å; L127-L185 HydrophobicContact CD2-CD1 4.25Å; V129-L185 HydrophobicContact CB-CD2 4.33Å; V129-L185 HydrophobicContact CG1-CD2 3.75Å; V129-L185 HydrophobicContact CG2-CD2 3.82Å; L132-L185 HydrophobicContact CD2-CB 4.31Å; L132-L185 HydrophobicContact CD2-CD1 3.96Å; L132-L185 HydrophobicContact CD2-CD2 4.39Å; L132-L185 HydrophobicContact CD2-CG 4.47Å; L176-L185 HydrophobicContact CD2-CD1 3.66Å; L179-L185 HydrophobicContact CB-CB 4.35Å; L179-L185 HydrophobicContact CB-CD1 3.82Å; L179-L185 HydrophobicContact CB-CG 3.99Å; L179-L185 HydrophobicContact CD1-CD1 3.86Å; L179-L185 HydrophobicContact CD1-CG 4.39Å; L179-L185 HydrophobicContact CD2-CG 4.26Å; L179-L185 HydrophobicContact CG-CD1 4.32Å; L179-L185 HydrophobicContact CG-CG 4.47Å; L179-L185 PolarHBondContact O-N 2.93Å; M180-L185 WeakPolarHBondContact CA-O 3.49Å; M180-L185 HydrophobicContact CG-CB 4.03Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 3.32Å |
| 186 | Q | 77.3 | Confident | 78.1 | Confident | 115 Ų | 115 | 65 Ų | 65 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | trans | -102 | 109.8 | 178.2 | -59.2 | -174.4 | 16.7 | 0 | 0 | 111.2 | G183 | G183-Q186 WeakPolarHBondContact O-CG 3.23Å; G183-Q186 PolarHBondContact O-NE2 3.46Å | ||
| 187 | V | 79.9 | Confident | 77.2 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 147.3 | 157.6 | -71.3 | 0 | 0 | 0 | 0 | 108.9 | L132 M180 | L132-V187 HydrophobicContact CG-CG1 4.16Å; M180-V187 HydrophobicContact CE-CB 4.13Å; M180-V187 HydrophobicContact CE-CG1 3.55Å; M180-V187 HydrophobicContact CE-CG2 3.45Å; M180-V187 VanDerWaalsContact CE-CG2 3.45Å |
| 188 | H | 77.9 | Confident | 76.1 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 15% | 0.153 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 154.7 | 176.6 | -67.6 | 178.2 | 0 | 0 | 0 | 111.3 | C133 C192 C194 R771 | C133-H188 HydrophobicContact CB-CB 4.46Å; C133-H188 WeakPolarHBondContact O-CB 3.37Å; C133-H188 PolarHBondContact O-N 3.01Å; C133-H188 PolarHBondContact SG-CE1 3.36Å; H188-C192 HydrophobicContact CB-CB 3.67Å; H188-C192 PolarHBondContact ND1-SG 2.91Å; H188-C192 VanDerWaalsContact ND1-SG 3.41Å; H188-C194 PolarHBondContact CE1-SG 2.97Å; H188-C194 PolarHBondContact ND1-SG 2.53Å; H188-R771 PolarHBondContact CD2-NH2 3.35Å; H188-R771 VanDerWaalsContact CD2-NH2 3.35Å; H188-R771 PolarHBondContact CE1-NH2 3.1Å; H188-R771 PolarHBondContact ND1-NH2 2.79Å; H188-R771 PolarHBondContact NE2-NH1 3.17Å; H188-R771 PolarHBondContact NE2-NH2 3.07Å |
| 189 | P | 72.1 | Confident | 74.7 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 151.6 | 165.7 | -24.6 | 34.6 | 0 | 0 | 0 | 111.2 | I191 C192 | P189-I191 PolarHBondContact O-N 2.9Å; P189-C192 VanDerWaalsContact O-CB 3.25Å; P189-C192 WeakPolarHBondContact O-CB 3.41Å; P189-C192 PolarHBondContact O-N 3.36Å |
| 190 | P | 63.5 | Low | 73.2 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 90% | 0.903 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.7 | -178.5 | 25.1 | -33.8 | 0 | 0 | 0 | 114 | ||
| 191 | I | 67.3 | Low | 71.6 | Confident | 155 Ų | 155 | 70 Ų | 70 | 80% | 0.795 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 32.1 | -179.2 | -34.4 | 170.8 | 0 | 0 | 0 | 111 | P189 | P189-I191 PolarHBondContact O-N 2.9Š|
| 192 | C | 73.4 | Confident | 70.1 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | trans | -100.1 | 116.6 | -174.9 | -172 | 0 | 0 | 0 | 0 | 113.4 | H188 P189 C194 C197 | H188-C192 HydrophobicContact CB-CB 3.67Å; H188-C192 PolarHBondContact ND1-SG 2.91Å; H188-C192 VanDerWaalsContact ND1-SG 3.41Å; P189-C192 VanDerWaalsContact O-CB 3.25Å; P189-C192 WeakPolarHBondContact O-CB 3.41Å; P189-C192 PolarHBondContact O-N 3.36Å; C192-C194 VanDerWaalsContact C-N 3.29Å; C192-C194 PolarHBondContact O-N 3.37Å; C192-C197 WeakPolarHBondContact O-CB 3.45Å | ||
| 193 | D | 66.3 | Low | 68.6 | Low | 118 Ų | 118 | 69.7 Ų | 69.7 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | trans | -83.1 | 24.2 | 179.7 | -67.6 | -55.6 | 0 | 0 | 0 | 115.5 | R198 | D193-R198 WeakPolarHBondContact O-CD 3.42Š| ||
| 194 | C | 73.3 | Confident | 67.1 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.176 | 41% | 0.407 | C | S | . | . | trans | -66.1 | 155.7 | 176.3 | 85.8 | 0 | 0 | 0 | 0 | 111.3 | H188 C192 G196 C197 R198 | H188-C194 PolarHBondContact CE1-SG 2.97Å; H188-C194 PolarHBondContact ND1-SG 2.53Å; C192-C194 VanDerWaalsContact C-N 3.29Å; C192-C194 PolarHBondContact O-N 3.37Å; C194-G196 VanDerWaalsContact C-N 3.3Å; C194-G196 PolarHBondContact O-N 3.14Å; C194-C197 PolarHBondContact O-N 3.31Å; C194-C197 PolarHBondContact SG-N 3.4Å; C194-C197 VanDerWaalsContact SG-SG 3.62Å; C194-R198 WeakPolarHBondContact O-CG 3.37Å; C194-R198 PolarHBondContact O-N 2.75Å | ||
| 195 | P | 64.8 | Low | 65.5 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -52.6 | -43.6 | -179.2 | -29.1 | 36.1 | 0 | 0 | 0 | 113.7 | C197 R198 I199 | P195-C197 PolarHBondContact O-N 3.19Å; P195-R198 PolarHBondContact O-N 2.67Å; P195-I199 WeakPolarHBondContact O-CD1 3.47Å; P195-I199 WeakPolarHBondContact O-CG1 3.33Å; P195-I199 PolarHBondContact O-N 2.92Å |
| 196 | G | 66.6 | Low | 63.5 | Low | 35 Ų | 35 | 80.2 Ų | 80.2 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C194 S200 | C194-G196 VanDerWaalsContact C-N 3.3Å; C194-G196 PolarHBondContact O-N 3.14Å; G196-S200 PolarHBondContact O-OG 3.49Å |
| 197 | C | 71.4 | Confident | 61.9 | Low | 14 Ų | 14 | 84.2 Ų | 84.2 | 10% | 0.095 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71.1 | -28.2 | 176.3 | -74 | 0 | 0 | 0 | 0 | 113.5 | Q134 C192 C194 P195 S201 | Q134-C197 HydrophobicContact CG-CB 4.32Å; Q134-C197 PolarHBondContact NE2-O 2.84Å; C192-C197 WeakPolarHBondContact O-CB 3.45Å; C194-C197 PolarHBondContact O-N 3.31Å; C194-C197 PolarHBondContact SG-N 3.4Å; C194-C197 VanDerWaalsContact SG-SG 3.62Å; P195-C197 PolarHBondContact O-N 3.19Å; C197-S201 WeakPolarHBondContact O-CB 3.03Å; C197-S201 PolarHBondContact O-N 3.09Å |
| 198 | R | 65.8 | Low | 60.1 | Low | 134 Ų | 134 | 86 Ų | 86 | 51% | 0.506 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.8 | -42.6 | 176.4 | -67.2 | 179 | 81.3 | 162.2 | 8.6 | 111.9 | D193 C194 P195 S200 S201 N204 | D193-R198 WeakPolarHBondContact O-CD 3.42Å; C194-R198 WeakPolarHBondContact O-CG 3.37Å; C194-R198 PolarHBondContact O-N 2.75Å; P195-R198 PolarHBondContact O-N 2.67Å; R198-S200 PolarHBondContact O-N 3.25Å; R198-S201 PolarHBondContact O-N 3.01Å; R198-N204 WeakPolarHBondContact O-CB 3.43Å |
| 199 | I | 61.8 | Low | 58.4 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | -176.2 | -70.2 | 162.5 | 0 | 0 | 0 | 112.5 | P195 L208 | P195-I199 WeakPolarHBondContact O-CD1 3.47Å; P195-I199 WeakPolarHBondContact O-CG1 3.33Å; P195-I199 PolarHBondContact O-N 2.92Å; I199-L208 HydrophobicContact CG1-CD2 4.04Å; I199-L208 HydrophobicContact CG2-CD2 4.43Å |
| 200 | S | 55.5 | Low | 56.8 | Low | 24 Ų | 24 | 89.2 Ų | 89.2 | 17% | 0.168 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 14.6 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | Q134 G196 R198 | Q134-S200 PolarHBondContact NE2-O 3.38Å; Q134-S200 PolarHBondContact NE2-OG 3.24Å; Q134-S200 PolarHBondContact OE1-O 2.96Å; Q134-S200 PolarHBondContact OE1-OG 3.05Å; G196-S200 PolarHBondContact O-OG 3.49Å; R198-S200 PolarHBondContact O-N 3.25Å |
| 201 | S | 53.2 | Low | 55.9 | Low | 27 Ų | 27 | 90 Ų | 90 | 19% | 0.189 | 48% | 0.483 | C | S | . | . | trans | -71.6 | 123.8 | 164.9 | 172.9 | 0 | 0 | 0 | 0 | 109.2 | C197 R198 V203 N204 R205 | C197-S201 WeakPolarHBondContact O-CB 3.03Å; C197-S201 PolarHBondContact O-N 3.09Å; R198-S201 PolarHBondContact O-N 3.01Å; S201-V203 PolarHBondContact O-N 2.97Å; S201-V203 VanDerWaalsContact O-N 3.13Å; S201-N204 PolarHBondContact O-N 3.12Å; S201-N204 PolarHBondContact OG-ND2 3.32Å; S201-R205 PolarHBondContact O-N 2.88Å | ||
| 202 | P | 55.5 | Low | 54.8 | Low | 99 Ų | 99 | 93.5 Ų | 93.5 | 64% | 0.643 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -53.7 | -37.8 | -178 | -28.3 | 35.6 | 0 | 0 | 0 | 113.4 | N204 R205 | P202-N204 PolarHBondContact O-N 3.4Å; P202-R205 PolarHBondContact O-N 3.1Å |
| 203 | V | 52.7 | Low | 53 | Low | 129 Ų | 129 | 97.7 Ų | 97.7 | 78% | 0.782 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -64.3 | -26.8 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | S201 | S201-V203 PolarHBondContact O-N 2.97Å; S201-V203 VanDerWaalsContact O-N 3.13Å |
| 204 | N | 44.8 | Very low | 51.5 | Low | 59 Ų | 59 | 98.4 Ų | 98.4 | 32% | 0.316 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -99.3 | -9.2 | -177.4 | -72.3 | -93.6 | 0 | 0 | 0 | 113.2 | R198 S201 P202 G206 R207 L208 | R198-N204 WeakPolarHBondContact O-CB 3.43Å; S201-N204 PolarHBondContact O-N 3.12Å; S201-N204 PolarHBondContact OG-ND2 3.32Å; P202-N204 PolarHBondContact O-N 3.4Å; N204-G206 VanDerWaalsContact C-N 3.28Å; N204-G206 PolarHBondContact O-N 2.93Å; N204-R207 PolarHBondContact O-N 3.43Å; N204-L208 PolarHBondContact O-N 3.44Å |
| 205 | R | 48.8 | Very low | 49.3 | Very low | 177 Ų | 177 | 101.1 Ų | 101.1 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -31.6 | -174 | -147.9 | 170.9 | -172.3 | 158 | -0.2 | 112.7 | S201 P202 | S201-R205 PolarHBondContact O-N 2.88Å; P202-R205 PolarHBondContact O-N 3.1Å |
| 206 | G | 42.6 | Very low | 47.8 | Very low | 45 Ų | 45 | 104.9 Ų | 104.9 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -57.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | N204 L208 A209 | N204-G206 VanDerWaalsContact C-N 3.28Å; N204-G206 PolarHBondContact O-N 2.93Å; G206-L208 PolarHBondContact O-N 3.31Å; G206-A209 WeakPolarHBondContact O-CB 3.41Å; G206-A209 PolarHBondContact O-N 2.89Å |
| 207 | R | 43 | Very low | 46.1 | Very low | 200 Ų | 200 | 109 Ų | 109 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -5.8 | -173 | -164.6 | 177.9 | -79.3 | -108.4 | 4.6 | 115 | N204 K211 | N204-R207 PolarHBondContact O-N 3.43Å; R207-K211 WeakPolarHBondContact O-CE 3.23Å |
| 208 | L | 41.3 | Very low | 44.2 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -102.4 | -22.5 | 171.1 | -163.2 | 67.7 | 0 | 0 | 0 | 113.2 | I199 N204 G206 K211 | I199-L208 HydrophobicContact CG1-CD2 4.04Å; I199-L208 HydrophobicContact CG2-CD2 4.43Å; N204-L208 PolarHBondContact O-N 3.44Å; G206-L208 PolarHBondContact O-N 3.31Å; L208-K211 PolarHBondContact O-N 3.39Å |
| 209 | A | 42.8 | Very low | 42.5 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 51% | 0.512 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.7 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G206 K211 R212 | G206-A209 WeakPolarHBondContact O-CB 3.41Å; G206-A209 PolarHBondContact O-N 2.89Å; A209-K211 PolarHBondContact O-N 3.45Å; A209-R212 PolarHBondContact O-N 3.48Å; A209-R212 VanDerWaalsContact O-N 3.16Å |
| 210 | D | 39.4 | Very low | 41.2 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -57.1 | -18.9 | 178.3 | -59.6 | -45.8 | 0 | 0 | 0 | 113.7 | R212 | D210-R212 VanDerWaalsContact C-N 3.35Š|
| 211 | K | 43.4 | Very low | 40 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -89.3 | 4 | -175.7 | -51.8 | -160.8 | 178.3 | -153.8 | 0 | 114.3 | R207 L208 A209 | R207-K211 WeakPolarHBondContact O-CE 3.23Å; L208-K211 PolarHBondContact O-N 3.39Å; A209-K211 PolarHBondContact O-N 3.45Å |
| 212 | R | 43.8 | Very low | 38.9 | Very low | 230 Ų | 230 | 131.4 Ų | 131.4 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -110.3 | -4.7 | 171.9 | -74.6 | -175.2 | 169.7 | 178.6 | -4.9 | 113.8 | A209 D210 V214 | A209-R212 PolarHBondContact O-N 3.48Å; A209-R212 VanDerWaalsContact O-N 3.16Å; D210-R212 VanDerWaalsContact C-N 3.35Å; R212-V214 PolarHBondContact O-N 3.04Å |
| 213 | T | 36.5 | Very low | 37.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -83.9 | 60.6 | 171.8 | -42.7 | 0 | 0 | 0 | 0 | 110.4 | A215 | T213-A215 PolarHBondContact O-N 3.41Š| ||
| 214 | V | 34.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 118.2 | 159.3 | 176 | 0 | 0 | 0 | 0 | 106.1 | R212 L216 | R212-V214 PolarHBondContact O-N 3.04Å; V214-L216 PolarHBondContact O-N 3.49Å |
| 215 | A | 27.4 | Very low | 36 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 127.3 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | T213 | T213-A215 PolarHBondContact O-N 3.41Š|
| 216 | L | 33.7 | Very low | 34.9 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 136 | 150.1 | -66.8 | 174.8 | 0 | 0 | 0 | 107.5 | V214 A218 | V214-L216 PolarHBondContact O-N 3.49Å; L216-A218 PolarHBondContact O-N 3.31Å |
| 217 | P | 31.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 118.3 | -176.7 | 26.4 | -33.7 | 0 | 0 | 0 | 110.8 | A219 | P217-A219 PolarHBondContact O-N 3.16Å; P217-A219 VanDerWaalsContact O-N 3.12Å |
| 218 | A | 29.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -74.3 | 101.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L216 R220 | L216-A218 PolarHBondContact O-N 3.31Å; A218-R220 PolarHBondContact O-N 3.35Å | ||
| 219 | A | 30.5 | Very low | 33.1 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P217 N221 | P217-A219 PolarHBondContact O-N 3.16Å; P217-A219 VanDerWaalsContact O-N 3.12Å; A219-N221 PolarHBondContact O-N 3.32Å |
| 220 | R | 34.1 | Very low | 32.3 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 129.9 | -169.4 | -67 | 171.8 | 173.8 | 162.1 | -5 | 111.3 | A218 L222 | A218-R220 PolarHBondContact O-N 3.35Å; R220-L222 PolarHBondContact O-N 2.94Å |
| 221 | N | 30.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.8 | 163.8 | -92 | -103.7 | 0 | 0 | 0 | 108.9 | A219 | A219-N221 PolarHBondContact O-N 3.32Š|
| 222 | L | 31.5 | Very low | 31.3 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -127 | 124.5 | 172.7 | -144.3 | 160.2 | 0 | 0 | 0 | 108 | R220 | R220-L222 PolarHBondContact O-N 2.94Š| ||
| 223 | K | 31.3 | Very low | 30.6 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -105.8 | 118.6 | -165.5 | 176.4 | -178.6 | -179.9 | 179 | 0 | 110.6 | ||||
| 224 | K | 33.5 | Very low | 30.6 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | 159.4 | 161 | 119.6 | -150.5 | -174.2 | 178.2 | -125.2 | 0 | 112.2 | |||||
| 225 | E | 27 | Very low | 30.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 53% | 0.533 | 79% | 0.792 | S | S | . | * | trans | 80.2 | 128.2 | 160.5 | -64.3 | -71 | 120.7 | 0 | 0 | 120.4 | ||||
| 226 | R | 25.8 | Very low | 30.8 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | 81.8 | 119 | 141.6 | -71.1 | 167 | -166.7 | -121.3 | -6.1 | 122.4 | ||||
| 227 | T | 27.5 | Very low | 31.1 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -48.4 | 156.4 | 144.6 | 5.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | P | 36.2 | Very low | 31.2 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | -151.8 | 177.3 | 70.3 | 43.5 | -24.8 | 0 | 0 | 0 | 118.2 | |||||
| 229 | S | 23.9 | Very low | 31.5 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 61.1 | 111.2 | 149.9 | -59.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 230 | F | 26.6 | Very low | 31.7 | Very low | 221 Ų | 221 | 143 Ų | 143 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | -123.8 | 142.6 | 122.4 | -87.2 | -81.7 | 0 | 0 | 0 | 109.2 | |||||
| 231 | S | 29.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -112.2 | 163.1 | 171.2 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 232 | A | 32.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -179.3 | 141 | -25.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 233 | S | 28.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -173.3 | 128.9 | 158.3 | -111 | 0 | 0 | 0 | 0 | 110 | ||||
| 234 | D | 36.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 40.4 | 133.7 | 135.9 | -33.8 | -45.7 | 0 | 0 | 0 | 120.6 | ||||
| 235 | G | 33.7 | Very low | 32.1 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | cis | 168.7 | 140.8 | -6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 236 | D | 33.8 | Very low | 32.2 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 62.1 | 172.4 | 154.9 | -124.9 | -37 | 0 | 0 | 0 | 122.9 | ||||
| 237 | S | 38.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 75.8 | 90.4 | 172.4 | -63.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 238 | D | 34.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | 41.7 | 141.2 | 118.9 | -65.1 | -38.4 | 0 | 0 | 0 | 123.2 | |||||
| 239 | G | 35.4 | Very low | 32.8 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 167.6 | 80.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 240 | S | 34.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 147.5 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 241 | G | 29.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -80.9 | -152.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 242 | P | 53 | Low | 33.5 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -136 | -157.8 | -4.5 | 32.2 | -7.7 | 0 | 0 | 0 | 112.8 | ||||
| 243 | T | 30.4 | Very low | 33.4 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 69.6 | 160.5 | 167.2 | 73.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 244 | C | 28.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | cis | -158 | 164.4 | -27 | 51.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 245 | G | 28.6 | Very low | 33.3 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | 169.7 | -160.6 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 246 | R | 29.2 | Very low | 33.8 | Very low | 253 Ų | 253 | 133.3 Ų | 133.3 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | trans | 132.7 | 104.7 | 157.5 | -161.9 | 170.4 | -145.2 | -110 | 4.7 | 114.2 | ||||
| 247 | R | 32.2 | Very low | 33.7 | Very low | 237 Ų | 237 | 134.5 Ų | 134.5 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -91.7 | -176.7 | 161.8 | -76.3 | -172.9 | 175.2 | -159.3 | 0.3 | 108.8 | ||||
| 248 | P | 43.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | cis | -136.2 | 175.5 | 5.4 | 42.6 | -25.2 | 0 | 0 | 0 | 116.9 | ||||
| 249 | G | 26.7 | Very low | 33.4 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -176.3 | 137.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 250 | L | 36.4 | Very low | 33.7 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -139.9 | 164.1 | -174.2 | -75.2 | 173.5 | 0 | 0 | 0 | 111.6 | ||||
| 251 | K | 28.1 | Very low | 33.6 | Very low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 84.6 | 148.8 | 170.7 | -55.7 | -174.1 | 77.5 | -179.7 | 0 | 116.5 | ||||
| 252 | Q | 28.3 | Very low | 34 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 59% | 0.589 | 80% | 0.802 | S | S | * | * | cis | -171.8 | 157.9 | -19.6 | 178.1 | 167.3 | -3.9 | 0 | 0 | 111 | ||||
| 253 | E | 31.3 | Very low | 33.1 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | 60.7 | 147 | 175.8 | -34.4 | -49 | 30.9 | 0 | 0 | 123.8 | ||||
| 254 | D | 30.6 | Very low | 33.2 | Very low | 162 Ų | 162 | 160.6 Ų | 160.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 40.1 | 144.5 | 140.7 | -59.9 | -27.2 | 0 | 0 | 0 | 123.5 | ||||
| 255 | G | 33.6 | Very low | 33.2 | Very low | 70 Ų | 70 | 159.3 Ų | 159.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 158.6 | 177 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 256 | P | 44.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -119.4 | 163.6 | -8.2 | 40.5 | -27.9 | 0 | 0 | 0 | 114.1 | ||||
| 257 | H | 31.3 | Very low | 33.8 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -94.7 | 120.2 | 168.7 | -90.1 | 26.7 | 0 | 0 | 0 | 112.2 | R259 | H257-R259 PolarHBondContact O-N 3.29Š| ||
| 258 | I | 34.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 97.5 | 169.6 | -59 | -178.2 | 0 | 0 | 0 | 109.9 | I260 | I258-I260 PolarHBondContact O-N 3.38Š| ||
| 259 | R | 31.7 | Very low | 33.2 | Very low | 218 Ų | 218 | 156.9 Ų | 156.9 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | trans | -75.9 | 110.2 | 175.9 | -63.3 | 168.1 | 73.9 | -178.7 | 5.4 | 109.9 | H257 M261 | H257-R259 PolarHBondContact O-N 3.29Å; R259-M261 PolarHBondContact O-N 3.12Å | ||
| 260 | I | 42.3 | Very low | 33.6 | Very low | 162 Ų | 162 | 160 Ų | 160 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 96.5 | 171.2 | -58.4 | 178.1 | 0 | 0 | 0 | 108.9 | I258 K262 | I258-I260 PolarHBondContact O-N 3.38Å; I260-K262 PolarHBondContact O-N 2.87Å | ||
| 261 | M | 30.8 | Very low | 33.5 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 109.7 | 178.1 | -63 | -173.1 | 81.5 | 0 | 0 | 110.3 | R259 R263 | R259-M261 PolarHBondContact O-N 3.12Å; M261-R263 PolarHBondContact O-N 3.31Å | ||
| 262 | K | 38.5 | Very low | 33.7 | Very low | 215 Ų | 215 | 155.8 Ų | 155.8 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | trans | -63.3 | 81.5 | 161.1 | -83.9 | -175.7 | 173 | 176.9 | 0 | 109.5 | I260 R264 | I260-K262 PolarHBondContact O-N 2.87Å; K262-R264 PolarHBondContact O-N 2.89Å; K262-R264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | R | 34 | Very low | 33.7 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -75.8 | 98.2 | 178.9 | -163 | -178.1 | -62.8 | 174 | 1.8 | 109.2 | M261 V265 | M261-R263 PolarHBondContact O-N 3.31Å; R263-V265 HydrophobicContact CG-CG2 4.26Å; R263-V265 PolarHBondContact O-N 3.04Å; R263-V265 VanDerWaalsContact O-N 3.1Å | ||
| 264 | R | 32.8 | Very low | 33.7 | Very low | 225 Ų | 225 | 154.3 Ų | 154.3 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -60.8 | 109.2 | 168.2 | -178.2 | -167 | -63.2 | -151 | 2.1 | 108.4 | K262 | K262-R264 PolarHBondContact O-N 2.89Å; K262-R264 VanDerWaalsContact O-N 3.09Å | ||
| 265 | V | 28.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 156.4 Ų | 156.4 | 60% | 0.6 | 77% | 0.767 | S | S | * | * | trans | -108.8 | 104.8 | 167.3 | -180 | 0 | 0 | 0 | 0 | 107.4 | R263 T267 | R263-V265 HydrophobicContact CG-CG2 4.26Å; R263-V265 PolarHBondContact O-N 3.04Å; R263-V265 VanDerWaalsContact O-N 3.1Å; V265-T267 HydrophobicContact CG1-CG2 3.8Å | ||
| 266 | H | 31.8 | Very low | 33.3 | Very low | 178 Ų | 178 | 163.5 Ų | 163.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 116.8 | 156.5 | -98 | 24.4 | 0 | 0 | 0 | 107 | ||||
| 267 | T | 38 | Very low | 32.6 | Very low | 91 Ų | 91 | 165.4 Ų | 165.4 | 56% | 0.558 | 77% | 0.771 | S | S | * | * | trans | -133 | 113.6 | 162.2 | 48.3 | 0 | 0 | 0 | 0 | 107.5 | V265 | V265-T267 HydrophobicContact CG1-CG2 3.8Š| ||
| 268 | H | 34 | Very low | 32.5 | Very low | 161 Ų | 161 | 161.8 Ų | 161.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -62 | 132.4 | 172.7 | -146.1 | -91.4 | 0 | 0 | 0 | 109.2 | D270 | H268-D270 IonicContact CE1-OD2 3.62Å; H268-D270 PolarHBondContact CE1-OD2 3.06Å; H268-D270 IonicContact ND1-OD2 3.94Å; H268-D270 IonicContact NE2-OD2 3.77Å | ||
| 269 | W | 30.4 | Very low | 32.3 | Very low | 216 Ų | 216 | 159.1 Ų | 159.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -140.4 | 53.2 | 175.7 | -75.2 | 115.6 | 0 | 0 | 0 | 111.7 | V271 | W269-V271 PolarHBondContact O-N 2.78Š| ||
| 270 | D | 35.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 96.5 | 158.6 | -77.6 | -45.8 | 0 | 0 | 0 | 109.3 | H268 | H268-D270 IonicContact CE1-OD2 3.62Å; H268-D270 PolarHBondContact CE1-OD2 3.06Å; H268-D270 IonicContact ND1-OD2 3.94Å; H268-D270 IonicContact NE2-OD2 3.77Å | ||
| 271 | V | 33.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -137 | 121.9 | 151.6 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | W269 I273 | W269-V271 PolarHBondContact O-N 2.78Å; V271-I273 PolarHBondContact O-N 3.14Å | ||
| 272 | N | 31.3 | Very low | 31.8 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 117.7 | 173.2 | 179.7 | 15 | 0 | 0 | 0 | 111 | ||||
| 273 | I | 29.6 | Very low | 31.9 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -106.2 | 94.8 | 170.8 | -59.9 | -178.5 | 0 | 0 | 0 | 109.2 | V271 | V271-I273 PolarHBondContact O-N 3.14Š| ||
| 274 | S | 30.7 | Very low | 31.9 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -70.3 | 124.3 | 163.8 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | R276 | S274-R276 PolarHBondContact O-N 2.92Š| ||
| 275 | F | 25.7 | Very low | 32 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | -80.2 | 115.1 | 168.4 | -125.5 | -95.3 | 0 | 0 | 0 | 109.1 | ||||
| 276 | R | 30.4 | Very low | 32.2 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -134.2 | 155.8 | 171.4 | -151.1 | 173.7 | -170.7 | -122.2 | -4.7 | 109.6 | S274 | S274-R276 PolarHBondContact O-N 2.92Š| ||
| 277 | E | 30.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -62.2 | 138.7 | -164.6 | -61.5 | 106.8 | 123.8 | 0 | 0 | 114.7 | S279 | E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.36Å | ||
| 278 | A | 27.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 141 Ų | 141 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -80.2 | 79.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 279 | S | 29.9 | Very low | 32.9 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -131.5 | 100.3 | 166.6 | -72.3 | 0 | 0 | 0 | 0 | 109.7 | E277 | E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.36Å | ||
| 280 | C | 28.2 | Very low | 33 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -155 | 127.9 | 167.9 | -108.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 281 | S | 31.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -135.1 | 127.7 | 155.7 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 282 | Q | 36.3 | Very low | 32.8 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 133.2 | -172.2 | -74 | -172.7 | -83.5 | 0 | 0 | 111.4 | ||||
| 283 | D | 38.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 74.8 | 128.6 | 81.2 | -67.2 | -51 | 0 | 0 | 0 | 115.2 | |||||
| 284 | G | 34.7 | Very low | 32.8 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -175.8 | 137.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | N | 34.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -123.5 | 152.1 | -159.4 | -84.9 | -80.6 | 0 | 0 | 0 | 115.7 | ||||
| 286 | L | 33.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 75.8 | 167.6 | 152.6 | -104.2 | 69.8 | 0 | 0 | 0 | 118.2 | ||||
| 287 | P | 53.4 | Low | 32.9 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -135.3 | -157.8 | -123.8 | 42.2 | -21 | 0 | 0 | 0 | 114.5 | |||||
| 288 | T | 31.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | 125.6 | 100 | 145.5 | -52.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 289 | L | 34.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 62.5 | 165.1 | 150.8 | -55 | 175.4 | 0 | 0 | 0 | 116.8 | ||||
| 290 | I | 32.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | cis | -156.3 | 158.6 | -10.8 | -119.7 | 159.9 | 0 | 0 | 0 | 105.6 | ||||
| 291 | S | 32.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | -178.4 | 175 | -29.3 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 292 | S | 31.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 74 | 151.1 | 172.6 | -125.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 293 | V | 30.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -140.5 | 152.4 | 10.2 | 170.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 294 | H | 31 | Very low | 32.7 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | cis | -143.2 | 154 | 31.6 | -144.6 | -73.8 | 0 | 0 | 0 | 113.1 | ||||
| 295 | R | 31.9 | Very low | 32.3 | Very low | 230 Ų | 230 | 148.4 Ų | 148.4 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -85.6 | 149.3 | 172.7 | -76.7 | 170.4 | 160.4 | 165.7 | -7.9 | 112.9 | ||||
| 296 | S | 26.1 | Very low | 32 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | -150.9 | 88.3 | 128.7 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 297 | R | 30.2 | Very low | 31.6 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | 50 | 101.5 | 147 | -50.9 | -179.9 | -169.1 | -161 | 1.8 | 116.3 | ||||
| 298 | H | 27.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 41.4 | 118.1 | 58.7 | -77 | -94.8 | 0 | 0 | 0 | 114 | |||||
| 299 | L | 30.5 | Very low | 29.8 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | cis | 71.6 | 111.5 | 49.3 | -66.8 | 173.3 | 0 | 0 | 0 | 114.9 | ||||
| 300 | V | 28.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 154.1 Ų | 154.1 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -142.5 | 144.1 | 143.9 | 177 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 301 | M | 29.9 | Very low | 29 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -115.1 | -168.8 | -177.6 | -68.9 | -72.3 | -67.2 | 0 | 0 | 108 | ||||
| 302 | P | 44 | Very low | 28.8 | Very low | 94 Ų | 94 | 161.1 Ų | 161.1 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | cis | -144.9 | -150.3 | 8.5 | 39.8 | -14.7 | 0 | 0 | 0 | 115.1 | ||||
| 303 | E | 26.7 | Very low | 28.4 | Very low | 180 Ų | 180 | 159 Ų | 159 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 87.5 | 108.2 | 154.5 | -78.1 | 156 | -149.2 | 0 | 0 | 120.8 | ||||
| 304 | H | 32.3 | Very low | 28.2 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 142.8 | 155.1 | -77.9 | -115.2 | 0 | 0 | 0 | 110.2 | ||||
| 305 | Q | 26.4 | Very low | 28 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | -171.5 | 167 | 107.8 | -104.8 | 175.2 | 56.6 | 0 | 0 | 113.9 | |||||
| 306 | S | 27.2 | Very low | 27.9 | Very low | 82 Ų | 82 | 153 Ų | 153 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 132.5 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 307 | R | 24.9 | Very low | 28.1 | Very low | 221 Ų | 221 | 154.6 Ų | 154.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -161.7 | 154.9 | 134.2 | -127.9 | 178.6 | -178.8 | -112.4 | 3.2 | 113.2 | E309 | R307-E309 IonicContact NH1-OE2 3.12Å; R307-E309 PolarHBondContact NH1-OE2 2.84Å | ||
| 308 | C | 23.2 | Very low | 28.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -77.7 | 148.9 | 157.6 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 309 | E | 22.8 | Very low | 28.2 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | -171.3 | 175.1 | 105.8 | -101 | 176.9 | 130 | 0 | 0 | 112.1 | R307 | R307-E309 IonicContact NH1-OE2 3.12Å; R307-E309 PolarHBondContact NH1-OE2 2.84Å | |||
| 310 | F | 25.2 | Very low | 28.2 | Very low | 199 Ų | 199 | 150.5 Ų | 150.5 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -110 | 135.5 | -159 | -142 | -99.2 | 0 | 0 | 0 | 111.5 | ||||
| 311 | Q | 26.1 | Very low | 29.2 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -153.5 | 104.9 | 152.2 | -127 | 169.6 | 52.6 | 0 | 0 | 116.4 | ||||
| 312 | R | 27 | Very low | 29.4 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 55.8 | 111.9 | 132.3 | -172.2 | -171.8 | -65.3 | -177.8 | -0.1 | 119.4 | ||||
| 313 | G | 24.5 | Very low | 28.7 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 168.4 | 88.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 314 | S | 25.1 | Very low | 29 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 78 | 129.7 | 145.9 | -140.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 315 | L | 28.1 | Very low | 29.1 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 55.1 | 139.5 | 156.7 | -93.1 | 64.2 | 0 | 0 | 0 | 119.3 | ||||
| 316 | E | 29.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 66% | 0.659 | 76% | 0.761 | S | S | * | * | cis | -136.5 | 162.5 | 2.5 | -94.9 | -72.6 | 57.4 | 0 | 0 | 111.3 | ||||
| 317 | I | 30 | Very low | 29.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 9.8 | 120.2 | 151.4 | -52.2 | 162.5 | 0 | 0 | 0 | 116.4 | ||||
| 318 | G | 29.7 | Very low | 29.9 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | 177.3 | -156.8 | 9.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 319 | L | 31.5 | Very low | 30.1 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | -142.7 | -90.3 | -1.3 | -113.5 | 176.7 | 0 | 0 | 0 | 113.1 | ||||
| 320 | R | 30.2 | Very low | 30.3 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | trans | -178.8 | 174.6 | -169.2 | -116.4 | -167.1 | -92.9 | 126.7 | -8.8 | 112.7 | ||||
| 321 | P | 48.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -136.9 | 163.5 | -11.5 | 38.5 | -21 | 0 | 0 | 0 | 117.9 | ||||
| 322 | A | 33.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | 41.3 | 151.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 323 | G | 29.4 | Very low | 30.4 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 166.1 | 156.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 324 | D | 33.9 | Very low | 31.7 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | 42.2 | 145.1 | 128.8 | -60.5 | -5.1 | 0 | 0 | 0 | 122.4 | |||||
| 325 | L | 34.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | -167.9 | 170.9 | -6.5 | -109.1 | 168.9 | 0 | 0 | 0 | 109.3 | ||||
| 326 | L | 33.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 38.4 | 113.8 | 152.5 | -67 | 156.3 | 0 | 0 | 0 | 118.7 | ||||
| 327 | G | 27.6 | Very low | 31.7 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | 93.9 | 114.6 | 24.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 328 | K | 33 | Very low | 31.6 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | 176.2 | 119.5 | 146.9 | -96.3 | 147.6 | -166.7 | 168.6 | 0 | 115.9 | ||||
| 329 | R | 28.3 | Very low | 31.5 | Very low | 211 Ų | 211 | 137.6 Ų | 137.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 77.1 | 152.2 | 140.1 | -70.1 | -171 | -71.6 | -130.2 | 4.3 | 122.9 | ||||
| 330 | L | 27.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | 77.5 | 97.7 | 154.7 | -73.6 | 154.7 | 0 | 0 | 0 | 120.2 | ||||
| 331 | G | 25.7 | Very low | 31 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | 103.3 | 114.9 | 94.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 332 | R | 25.6 | Very low | 30 | Very low | 259 Ų | 259 | 132.9 Ų | 132.9 | 98% | 0.977 | 74% | 0.74 | S | S | * | * | trans | 68.3 | 141.5 | 158.1 | -60.1 | -174 | 177.1 | -158.5 | -0.8 | 118.8 | ||||
| 333 | S | 28 | Very low | 29.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -102.3 | 175.6 | 166.3 | -161.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 334 | P | 53.2 | Low | 29.8 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -134.3 | -175.3 | -2.7 | 23.4 | 2.3 | 0 | 0 | 0 | 115.3 | ||||
| 335 | R | 28.8 | Very low | 29.6 | Very low | 213 Ų | 213 | 147 Ų | 147 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | 130.6 | 147.9 | 127.7 | -73.4 | -157.9 | 173.4 | -135.8 | -1.2 | 118.8 | |||||
| 336 | I | 26.4 | Very low | 29.2 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 71.6 | 144.6 | 154.3 | -69.2 | 153.4 | 0 | 0 | 0 | 115 | ||||
| 337 | S | 25.7 | Very low | 29 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -133.5 | 153.7 | 5.5 | -136.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 338 | S | 28 | Very low | 29.1 | Very low | 86 Ų | 86 | 151.1 Ų | 151.1 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | 56.8 | 143.7 | 91.1 | 99.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 339 | D | 28.1 | Very low | 28.8 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -146.1 | 138.1 | 12.8 | -91.2 | -59.3 | 0 | 0 | 0 | 109.6 | ||||
| 340 | C | 26.6 | Very low | 28.7 | Very low | 96 Ų | 96 | 147 Ų | 147 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | 85.3 | 112.6 | 71 | -76.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 341 | F | 25.2 | Very low | 29.4 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 157.5 | 153.9 | -69.9 | -73.2 | 0 | 0 | 0 | 120.2 | ||||
| 342 | S | 28.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -148.7 | 172.9 | -2.4 | -141.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 343 | E | 28.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | -69.3 | 165.1 | 172.7 | -32.7 | 108.9 | 94.2 | 0 | 0 | 114.3 | ||||
| 344 | K | 29.5 | Very low | 29.5 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | -161.8 | 157.8 | 123.9 | -108.6 | 154.6 | -171.6 | 171.1 | 0 | 114.4 | |||||
| 345 | R | 29.8 | Very low | 28.3 | Very low | 245 Ų | 245 | 143.7 Ų | 143.7 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -87.3 | 154.1 | 178.9 | -51.6 | 170.7 | 176.6 | -170.5 | -3.2 | 111.1 | ||||
| 346 | A | 26.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | -170.8 | 159.5 | 126.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 347 | R | 28.1 | Very low | 28.5 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -41.5 | 166 | 152.5 | -74.1 | 176 | -179.7 | 172.4 | -2.4 | 114.7 | ||||
| 348 | S | 29.7 | Very low | 28.7 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | cis | -167.2 | -179.8 | -5.5 | 38.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 349 | E | 26.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 152.3 | 158.4 | -72.4 | 149.3 | 116 | 0 | 0 | 119.3 | ||||
| 350 | S | 27.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 165.5 | 171.7 | 60.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 351 | P | 42.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -146.8 | 170.9 | 104.9 | 37.9 | -22.3 | 0 | 0 | 0 | 115.5 | |||||
| 352 | Q | 26.4 | Very low | 30.1 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 11.5 | 150.7 | 143.1 | -61.3 | 169.1 | -22.4 | 0 | 0 | 119.8 | ||||
| 353 | A | 26 | Very low | 30.4 | Very low | 80 Ų | 80 | 152.1 Ų | 152.1 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | cis | -158.1 | -179.1 | 19.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 354 | E | 27.9 | Very low | 31.1 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 25.5 | 152.2 | 154.6 | -88.2 | 85.5 | 137.9 | 0 | 0 | 122 | ||||
| 355 | A | 27.7 | Very low | 31.8 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -176.8 | 170 | 1.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 356 | L | 28.3 | Very low | 32.9 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -167.2 | 133.9 | -23.7 | -103.2 | 168.9 | 0 | 0 | 0 | 107.2 | ||||
| 357 | L | 31.7 | Very low | 34.8 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 95% | 0.948 | 75% | 0.746 | S | S | * | * | trans | -146.7 | 144.5 | 155.7 | -82.2 | -171.6 | 0 | 0 | 0 | 111 | ||||
| 358 | L | 30.6 | Very low | 36.3 | Very low | 147 Ų | 147 | 128 Ų | 128 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -123.4 | 175.2 | -168.2 | -93.2 | 170.4 | 0 | 0 | 0 | 109.2 | ||||
| 359 | P | 44.9 | Very low | 38 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -153.3 | 167 | 33.3 | 45 | -24.1 | 0 | 0 | 0 | 121.3 | ||||
| 360 | R | 27.3 | Very low | 39.9 | Very low | 231 Ų | 231 | 124.3 Ų | 124.3 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | 70.1 | 96.9 | 146.5 | -136.8 | 164.9 | -173.7 | 151.2 | 1.5 | 118.1 | ||||
| 361 | E | 32.9 | Very low | 42 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | 82.9 | 104.7 | 68.1 | -77.8 | -71.6 | 170.8 | 0 | 0 | 115.8 | |||||
| 362 | L | 32.4 | Very low | 43.2 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -167.3 | 121.8 | 139.1 | -149.7 | 73.7 | 0 | 0 | 0 | 114.1 | ||||
| 363 | G | 34 | Very low | 45.4 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | trans | 90.8 | 124.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 364 | P | 43.7 | Very low | 47.5 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 152.2 | -179.2 | 34.8 | -34.9 | 0 | 0 | 0 | 114 | ||
| 365 | S | 43.2 | Very low | 49.6 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.4 | 167.1 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 366 | M | 52.3 | Low | 51.5 | Low | 69 Ų | 69 | 125.3 Ų | 125.3 | 34% | 0.34 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -102.2 | 132.6 | 179.5 | -72.7 | -64.9 | -49.5 | 0 | 0 | 110.4 | D370 R374 | M366-D370 HydrophobicContact CE-CB 3.52Å; M366-R374 VanDerWaalsContact CE-CZ 3.42Å; M366-R374 PolarHBondContact SD-NH1 3Å; M366-R374 VanDerWaalsContact SD-NH1 3.38Å |
| 367 | A | 67.1 | Low | 53.3 | Low | 45 Ų | 45 | 121.4 Ų | 121.4 | 37% | 0.372 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 145.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E369 D370 H371 | A367-E369 PolarHBondContact O-N 3.34Å; A367-D370 PolarHBondContact O-N 2.87Å; A367-H371 PolarHBondContact O-N 3.47Å; A367-H371 VanDerWaalsContact O-N 3.17Å |
| 368 | P | 59.6 | Low | 54.5 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -54.1 | -36.5 | 179.5 | -26.8 | 35 | 0 | 0 | 0 | 113.9 | D370 H371 Y372 | P368-D370 PolarHBondContact O-N 3.45Å; P368-H371 WeakPolarHBondContact O-CB 3.38Å; P368-H371 PolarHBondContact O-N 3.12Å; P368-Y372 PolarHBondContact O-N 3.38Å |
| 369 | E | 65.5 | Low | 55.4 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -36.6 | -177 | -62.1 | 67.1 | -145.6 | 0 | 0 | 111.7 | A367 Y372 R373 | A367-E369 PolarHBondContact O-N 3.34Å; E369-Y372 PolarHBondContact O-N 3Å; E369-R373 WeakPolarHBondContact O-CG 3.27Å; E369-R373 PolarHBondContact O-N 2.96Å |
| 370 | D | 67.4 | Low | 55.7 | Low | 62 Ų | 62 | 112.2 Ų | 112.2 | 33% | 0.332 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -82.1 | -22.5 | 176.5 | -73.3 | -32.8 | 0 | 0 | 0 | 112.5 | M366 A367 P368 R373 R374 | M366-D370 HydrophobicContact CE-CB 3.52Å; A367-D370 PolarHBondContact O-N 2.87Å; P368-D370 PolarHBondContact O-N 3.45Å; D370-R373 IonicContact OD1-CZ 3.45Å; D370-R373 IonicContact OD1-NE 3.25Å; D370-R373 PolarHBondContact OD1-NE 3.21Å; D370-R373 IonicContact OD1-NH2 2.77Å; D370-R373 PolarHBondContact OD1-NH2 2.94Å; D370-R374 WeakPolarHBondContact O-CB 3.29Å; D370-R374 VanDerWaalsContact O-CG 3.3Å; D370-R374 WeakPolarHBondContact O-CG 3.38Å; D370-R374 PolarHBondContact O-N 3.23Å |
| 371 | H | 70.7 | Confident | 56.5 | Low | 121 Ų | 121 | 108.4 Ų | 108.4 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -46.3 | 163.9 | -173.8 | 79.8 | 0 | 0 | 0 | 110.5 | A367 P368 R374 L375 | A367-H371 PolarHBondContact O-N 3.47Å; A367-H371 VanDerWaalsContact O-N 3.17Å; P368-H371 WeakPolarHBondContact O-CB 3.38Å; P368-H371 PolarHBondContact O-N 3.12Å; H371-R374 PolarHBondContact O-N 3.47Å; H371-L375 WeakPolarHBondContact O-CB 3.41Å; H371-L375 PolarHBondContact O-N 3.2Å |
| 372 | Y | 67.1 | Low | 56.9 | Low | 163 Ų | 163 | 104.3 Ų | 104.3 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.3 | -46.7 | 175.1 | -175.1 | -98.4 | 0 | 0 | 0 | 112.1 | P368 E369 R374 L375 V376 | P368-Y372 PolarHBondContact O-N 3.38Å; E369-Y372 PolarHBondContact O-N 3Å; Y372-R374 PolarHBondContact O-N 2.91Å; Y372-L375 PolarHBondContact O-N 3.04Å; Y372-L375 VanDerWaalsContact O-N 3.17Å; Y372-V376 HydrophobicContact CD1-CG2 4.14Å; Y372-V376 HydrophobicContact CE1-CG2 3.73Å; Y372-V376 HydrophobicContact CE2-CG2 4.44Å; Y372-V376 WeakPolarHBondContact O-CG2 3.39Å; Y372-V376 PolarHBondContact O-N 3.16Å |
| 373 | R | 73.2 | Confident | 56.9 | Low | 164 Ų | 164 | 100.4 Ų | 100.4 | 62% | 0.619 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 176.8 | -74.1 | -159.3 | -66.9 | -176.9 | -3.2 | 113 | E369 D370 L375 V376 S377 | E369-R373 WeakPolarHBondContact O-CG 3.27Å; E369-R373 PolarHBondContact O-N 2.96Å; D370-R373 IonicContact OD1-CZ 3.45Å; D370-R373 IonicContact OD1-NE 3.25Å; D370-R373 PolarHBondContact OD1-NE 3.21Å; D370-R373 IonicContact OD1-NH2 2.77Å; D370-R373 PolarHBondContact OD1-NH2 2.94Å; R373-L375 VanDerWaalsContact C-N 3.31Å; R373-L375 PolarHBondContact O-N 3.4Å; R373-V376 PolarHBondContact O-N 3.1Å; R373-S377 WeakPolarHBondContact O-CB 3.22Å; R373-S377 PolarHBondContact O-N 3.44Å; R373-S377 PolarHBondContact O-OG 3.29Å |
| 374 | R | 70.8 | Confident | 56.9 | Low | 158 Ų | 158 | 103.4 Ų | 103.4 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.7 | -37.4 | 173.6 | -76.4 | 178.9 | -175.7 | 172.3 | 7.4 | 112.6 | M366 D370 H371 Y372 S377 A378 | M366-R374 VanDerWaalsContact CE-CZ 3.42Å; M366-R374 PolarHBondContact SD-NH1 3Å; M366-R374 VanDerWaalsContact SD-NH1 3.38Å; D370-R374 WeakPolarHBondContact O-CB 3.29Å; D370-R374 VanDerWaalsContact O-CG 3.3Å; D370-R374 WeakPolarHBondContact O-CG 3.38Å; D370-R374 PolarHBondContact O-N 3.23Å; H371-R374 PolarHBondContact O-N 3.47Å; Y372-R374 PolarHBondContact O-N 2.91Å; R374-S377 PolarHBondContact O-N 3.25Å; R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.39Å |
| 375 | L | 72 | Confident | 56.3 | Low | 91 Ų | 91 | 107.5 Ų | 107.5 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.3 | -41.6 | 178 | -156.4 | 158.8 | 0 | 0 | 0 | 111.1 | H371 Y372 R373 L379 | H371-L375 WeakPolarHBondContact O-CB 3.41Å; H371-L375 PolarHBondContact O-N 3.2Å; Y372-L375 PolarHBondContact O-N 3.04Å; Y372-L375 VanDerWaalsContact O-N 3.17Å; R373-L375 VanDerWaalsContact C-N 3.31Å; R373-L375 PolarHBondContact O-N 3.4Å; L375-L379 HydrophobicContact CD2-CD1 3.78Å; L375-L379 HydrophobicContact CD2-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CG 3.44Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.15Å |
| 376 | V | 67 | Low | 55.8 | Low | 70 Ų | 70 | 109.8 Ų | 109.8 | 42% | 0.424 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | Y372 R373 L379 S380 | Y372-V376 HydrophobicContact CD1-CG2 4.14Å; Y372-V376 HydrophobicContact CE1-CG2 3.73Å; Y372-V376 HydrophobicContact CE2-CG2 4.44Å; Y372-V376 WeakPolarHBondContact O-CG2 3.39Å; Y372-V376 PolarHBondContact O-N 3.16Å; R373-V376 PolarHBondContact O-N 3.1Å; V376-L379 PolarHBondContact O-N 2.95Å; V376-S380 PolarHBondContact O-N 3.25Å |
| 377 | S | 64.9 | Low | 54.8 | Low | 60 Ų | 60 | 113 Ų | 113 | 42% | 0.42 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62 | -46.3 | 176 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | R373 R374 L379 S380 E381 | R373-S377 WeakPolarHBondContact O-CB 3.22Å; R373-S377 PolarHBondContact O-N 3.44Å; R373-S377 PolarHBondContact O-OG 3.29Å; R374-S377 PolarHBondContact O-N 3.25Å; S377-L379 PolarHBondContact O-N 3.27Å; S377-S380 WeakPolarHBondContact CA-OG 3.19Å; S377-S380 WeakPolarHBondContact O-CA 3.3Å; S377-S380 PolarHBondContact O-N 3.23Å; S377-S380 PolarHBondContact O-OG 3.47Å; S377-E381 PolarHBondContact O-N 2.82Å |
| 378 | A | 58.3 | Low | 53.7 | Low | 60 Ų | 60 | 116.7 Ų | 116.7 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.5 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R374 | R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.39Å |
| 379 | L | 50 | Low | 52.5 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.1 | -32 | 171.4 | -70.9 | 171.4 | 0 | 0 | 0 | 112.6 | L375 V376 S377 | L375-L379 HydrophobicContact CD2-CD1 3.78Å; L375-L379 HydrophobicContact CD2-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CG 3.44Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.15Å; V376-L379 PolarHBondContact O-N 2.95Å; S377-L379 PolarHBondContact O-N 3.27Å |
| 380 | S | 49.5 | Very low | 50.9 | Low | 71 Ų | 71 | 125.7 Ų | 125.7 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.1 | -29.5 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 114 | V376 S377 A382 S383 | V376-S380 PolarHBondContact O-N 3.25Å; S377-S380 WeakPolarHBondContact CA-OG 3.19Å; S377-S380 WeakPolarHBondContact O-CA 3.3Å; S377-S380 PolarHBondContact O-N 3.23Å; S377-S380 PolarHBondContact O-OG 3.47Å; S380-A382 PolarHBondContact O-N 3.21Å; S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.23Å |
| 381 | E | 45.4 | Very low | 49.2 | Very low | 151 Ų | 151 | 130 Ų | 130 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.5 | -19 | 175.2 | -71.5 | 176 | 170.9 | 0 | 0 | 112.5 | S377 S383 | S377-E381 PolarHBondContact O-N 2.82Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.35Å |
| 382 | A | 40.6 | Very low | 47.3 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -2.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S380 | S380-A382 PolarHBondContact O-N 3.21Š|
| 383 | S | 33.2 | Very low | 45.5 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | -117.2 | 69.5 | -179.5 | 63 | 0 | 0 | 0 | 0 | 112.9 | S380 E381 | S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.23Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.35Å | ||
| 384 | T | 34.3 | Very low | 43.4 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -111.9 | 76.9 | 171 | 41.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 385 | F | 30.3 | Very low | 41.2 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 89% | 0.886 | 70% | 0.699 | S | S | * | * | trans | -149.6 | 141.3 | 159.4 | -155 | -99.1 | 0 | 0 | 0 | 112.1 | ||||
| 386 | E | 32.9 | Very low | 39.4 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -100.7 | 157.2 | -177.6 | -71.1 | -137.8 | 98.6 | 0 | 0 | 113.6 | ||||
| 387 | D | 31.2 | Very low | 38 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 53.3 | 116.4 | 155.8 | -158.4 | 45.2 | 0 | 0 | 0 | 120.5 | Q389 | D387-Q389 PolarHBondContact O-N 2.99Š| ||
| 388 | P | 43.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -96.1 | 75.9 | -172.9 | 38 | -35.4 | 0 | 0 | 0 | 114.1 | ||||
| 389 | Q | 34.2 | Very low | 35 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -155.1 | 78.5 | 174 | -133.5 | 169.8 | 85.1 | 0 | 0 | 117 | D387 | D387-Q389 PolarHBondContact O-N 2.99Š| ||
| 390 | R | 33.2 | Very low | 33.9 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -166 | 153.3 | 158.5 | -110 | 142.2 | -178.1 | 153.7 | 1.2 | 115.2 | ||||
| 391 | L | 31.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 55.6 | 91.9 | 171.9 | -79.9 | 77.3 | 0 | 0 | 0 | 118.4 | ||||
| 392 | Y | 30.5 | Very low | 32.3 | Very low | 219 Ų | 219 | 150.2 Ų | 150.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | -79.9 | 134.1 | 118.5 | -84.4 | -93.6 | 0 | 0 | 0 | 108.2 | |||||
| 393 | H | 29.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | 157.8 | 131.8 | 138.1 | -92.3 | 76.2 | 0 | 0 | 0 | 111.9 | ||||
| 394 | L | 28.6 | Very low | 31.7 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 63.7 | 155.2 | 163.9 | -56.1 | 159.9 | 0 | 0 | 0 | 115.5 | ||||
| 395 | G | 25.6 | Very low | 31.5 | Very low | 65 Ų | 65 | 162.3 Ų | 162.3 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | cis | 176.7 | 142.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 396 | L | 32.3 | Very low | 31.5 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 94% | 0.942 | 81% | 0.809 | S | S | * | * | trans | -66.8 | 147.6 | 177.5 | -69.5 | 169.2 | 0 | 0 | 0 | 111.3 | ||||
| 397 | P | 38.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -147.7 | 159.1 | 113 | 38.5 | -24.2 | 0 | 0 | 0 | 116.9 | |||||
| 398 | S | 28.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 159.6 Ų | 159.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 55 | 115.3 | 150.8 | -156.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 399 | H | 31.8 | Very low | 30.5 | Very low | 159 Ų | 159 | 158.8 Ų | 158.8 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | -1 | 157.7 | 125.5 | -114 | -97.2 | 0 | 0 | 0 | 121.8 | |||||
| 400 | D | 27.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 81.6 | 90.7 | 157.2 | -66.9 | -14.6 | 0 | 0 | 0 | 120.2 | ||||
| 401 | L | 31 | Very low | 29.8 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | -140.9 | 155.1 | 128.4 | -106.5 | 173.6 | 0 | 0 | 0 | 110.1 | |||
| 402 | L | 29 | Very low | 29.6 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 68.3 | 64.3 | 176 | -51.1 | -175.1 | 0 | 0 | 0 | 118 | ||||
| 403 | R | 31.1 | Very low | 29.5 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -125.2 | 94.1 | 143.1 | -172.7 | -175.2 | -63.2 | 176.5 | 3.7 | 110.7 | ||||
| 404 | V | 31 | Very low | 29.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -122.1 | 116 | 169.1 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 405 | R | 30.6 | Very low | 29.4 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | 41.9 | 102.7 | 167.7 | -77.5 | 179.1 | 146.9 | 169.3 | -9.8 | 117.9 | E407 | R405-E407 HydrophobicContact CG-CG 4.02Å; R405-E407 IonicContact CZ-OE1 2.67Å; R405-E407 VanDerWaalsContact NE-CD 3.31Å; R405-E407 IonicContact NE-OE1 3.03Å; R405-E407 PolarHBondContact NE-OE1 3.08Å; R405-E407 IonicContact NE-OE2 3.14Å; R405-E407 IonicContact NH2-OE1 2.83Å; R405-E407 PolarHBondContact NH2-OE1 3.41Å; R405-E407 IonicContact NH2-OE2 3.76Å | ||
| 406 | Q | 30 | Very low | 30.4 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | -115.4 | 141.2 | 104 | -166.3 | 160.9 | 12.8 | 0 | 0 | 108.6 | |||||
| 407 | E | 31.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 57% | 0.57 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 141.9 | -175 | -60.8 | 172.5 | 123 | 0 | 0 | 108.7 | R405 | R405-E407 HydrophobicContact CG-CG 4.02Å; R405-E407 IonicContact CZ-OE1 2.67Å; R405-E407 VanDerWaalsContact NE-CD 3.31Å; R405-E407 IonicContact NE-OE1 3.03Å; R405-E407 PolarHBondContact NE-OE1 3.08Å; R405-E407 IonicContact NE-OE2 3.14Å; R405-E407 IonicContact NH2-OE1 2.83Å; R405-E407 PolarHBondContact NH2-OE1 3.41Å; R405-E407 IonicContact NH2-OE2 3.76Å | ||
| 408 | V | 29.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | cis | 69.5 | 83.4 | 43.5 | -172 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 409 | A | 25.4 | Very low | 29.5 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -147.7 | 105 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 410 | A | 26.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -120.9 | 169 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 411 | A | 26.4 | Very low | 29 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -154.9 | 161.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 412 | A | 26.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -161.5 | 124.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 413 | L | 28.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | cis | -144.3 | 144.4 | -1.7 | -83.6 | 164.7 | 0 | 0 | 0 | 110.7 | ||||
| 414 | R | 30.6 | Very low | 28.6 | Very low | 225 Ų | 225 | 134.8 Ų | 134.8 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | 45.4 | 126.5 | 142 | -59 | 177.4 | -174.6 | 154.5 | 2.3 | 121.2 | ||||
| 415 | G | 26.8 | Very low | 28.2 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -82.1 | -141.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 416 | P | 45.3 | Very low | 27.8 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -139.8 | -178.4 | 5.3 | 40.1 | -19.7 | 0 | 0 | 0 | 116.1 | ||||
| 417 | S | 25.4 | Very low | 27.5 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 39.1 | 126.7 | 145.2 | 62.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 418 | G | 28 | Very low | 27.4 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -146.6 | 144.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 419 | L | 28.5 | Very low | 27.3 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -132.9 | 109.1 | -173.4 | -96.5 | 169.6 | 0 | 0 | 0 | 110.8 | ||||
| 420 | E | 24.1 | Very low | 27.5 | Very low | 198 Ų | 198 | 125 Ų | 125 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -174 | 169.5 | 163.5 | -109.6 | 164.5 | 106.4 | 0 | 0 | 109.1 | ||||
| 421 | A | 24.2 | Very low | 27.6 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 57% | 0.57 | 79% | 0.785 | S | S | * | * | -165.7 | 157.9 | -60.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 422 | H | 24.9 | Very low | 28 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 64.5 | 138.9 | 167.7 | -57.7 | -70.1 | 0 | 0 | 0 | 120.5 | ||||
| 423 | L | 26.8 | Very low | 28.6 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 163.7 | 164.7 | -61.6 | 163 | 0 | 0 | 0 | 109.5 | ||||
| 424 | P | 29.9 | Very low | 28.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -139.4 | 168.8 | 90.1 | 39.2 | -27.4 | 0 | 0 | 0 | 115.2 | |||||
| 425 | S | 22.5 | Very low | 28.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -85 | 176.4 | 168.4 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 426 | S | 23.1 | Very low | 28.8 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | 122.2 | 103.9 | 134 | -157.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 427 | T | 24.1 | Very low | 28 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 64.6 | 171.1 | 136.2 | 63.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 428 | A | 27.7 | Very low | 28.3 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -138.9 | 159.9 | -5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 429 | G | 27.3 | Very low | 28.2 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | 93.1 | 158.5 | 100.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 430 | Q | 30.8 | Very low | 28.4 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -167.4 | 137.7 | -1 | -144.1 | -169.2 | 39.6 | 0 | 0 | 112.1 | ||||
| 431 | R | 29.2 | Very low | 28.5 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 61.7 | 167.8 | 158.9 | -76 | 173.7 | 176 | -79.7 | 5.8 | 116.8 | ||||
| 432 | R | 34.7 | Very low | 28.7 | Very low | 214 Ų | 214 | 142.4 Ų | 142.4 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | cis | -141.1 | 172.6 | 11.5 | -129 | 148.9 | 177 | 156.7 | -3 | 107.2 | ||||
| 433 | K | 37.6 | Very low | 28.8 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | cis | -121.1 | -88.6 | 15 | -89.4 | -176.4 | 166.3 | -179.9 | 0 | 114.7 | ||||
| 434 | Q | 35.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -163.7 | 163.3 | -146.5 | -72.4 | 149.5 | -98 | 0 | 0 | 110 | ||||
| 435 | G | 27.8 | Very low | 29.8 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 153.6 | 178 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 436 | L | 27.9 | Very low | 30 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | 64.2 | 158.1 | 179.4 | -77.6 | 71.6 | 0 | 0 | 0 | 115.2 | ||||
| 437 | A | 28 | Very low | 30.1 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -178.9 | 172.1 | -27.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 438 | Q | 30.6 | Very low | 30.2 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -165.9 | 153.2 | 13.8 | -152.1 | 169.7 | 17.3 | 0 | 0 | 110.4 | ||||
| 439 | H | 27 | Very low | 30.8 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 59.9 | 169.2 | 151.8 | -101.7 | -136.6 | 0 | 0 | 0 | 121.9 | ||||
| 440 | R | 31.7 | Very low | 30.9 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | 174.1 | 133.2 | -56.8 | 170.5 | -174.8 | 178.7 | 106.2 | 1.7 | 109.8 | |||||
| 441 | E | 26.4 | Very low | 30.6 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 177.2 | 151.7 | 145 | -99.6 | 150.3 | -158.1 | 0 | 0 | 107.9 | ||||
| 442 | G | 29.1 | Very low | 30.5 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | 127.5 | 122.2 | 4.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 443 | A | 27.2 | Very low | 30 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | cis | -148.7 | -170 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 444 | A | 27.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -109.7 | -151.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 445 | P | 50.8 | Low | 29.1 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | cis | -145.6 | -165.5 | 17.8 | 45.9 | -24.4 | 0 | 0 | 0 | 118 | ||||
| 446 | A | 25.4 | Very low | 29 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 82.2 | 137.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 447 | A | 26 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | cis | -158.2 | 163.9 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 448 | A | 26.4 | Very low | 29.6 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -97 | -171.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 449 | P | 39.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | cis | -136.1 | -138.1 | 20.2 | 40.1 | -16.3 | 0 | 0 | 0 | 113.4 | ||||
| 450 | S | 28.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | -159.5 | 170.8 | -89.2 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 451 | F | 25.5 | Very low | 32.3 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 67.2 | 161.7 | 169.1 | -83.2 | -124.2 | 0 | 0 | 0 | 117.8 | ||||
| 452 | S | 27.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | cis | -175.4 | 156.1 | -30 | -90.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 453 | E | 24.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 61.5 | 166.2 | 168.3 | -69 | -174.3 | 70.1 | 0 | 0 | 116.9 | ||||
| 454 | R | 28.8 | Very low | 32.7 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | cis | -164.7 | -177.2 | 8.8 | -131.5 | 167.2 | 143.5 | 92.8 | 4.3 | 108.8 | ||||
| 455 | E | 24.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | cis | -142.1 | -110.9 | -5.8 | -166.8 | 165.2 | 61.1 | 0 | 0 | 113.6 | ||||
| 456 | L | 26.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -151.3 | -147.1 | -160.9 | -134.2 | 70.2 | 0 | 0 | 0 | 115.6 | ||||
| 457 | P | 43.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | -123.8 | 167.2 | -99.6 | 34.8 | -15.2 | 0 | 0 | 0 | 120.8 | |||||
| 458 | Q | 24.3 | Very low | 33 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | 67 | 170.1 | 140.8 | -82.3 | -174.1 | -16.2 | 0 | 0 | 122 | ||||
| 459 | P | 48.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | cis | -135.6 | -131.3 | -41.6 | 45.6 | -26.4 | 0 | 0 | 0 | 114.7 | ||||
| 460 | P | 46.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -124.1 | -143.3 | -150.8 | 40.3 | -13.3 | 0 | 0 | 0 | 112.6 | ||||
| 461 | P | 52.5 | Low | 33.4 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -132.7 | -161.8 | -18.7 | 43.9 | -25.5 | 0 | 0 | 0 | 113.9 | ||||
| 462 | L | 30.7 | Very low | 33.8 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | 176.3 | 174.5 | 131.7 | -92.8 | 175.1 | 0 | 0 | 0 | 114.4 | ||||
| 463 | L | 29.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 142.3 | -160.2 | -70.4 | 165.3 | 0 | 0 | 0 | 116.6 | ||||
| 464 | S | 29.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 60.4 | -177.5 | 141.8 | -58.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 465 | P | 48.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -144.2 | -169.9 | 3.5 | 46.6 | -27.7 | 0 | 0 | 0 | 118.5 | ||||
| 466 | Q | 32 | Very low | 35.9 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 90.5 | 113.6 | 147.9 | -77.4 | -172.2 | 93.2 | 0 | 0 | 124.4 | ||||
| 467 | N | 28.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | 69.8 | 145.8 | 129.1 | -64.2 | -25.9 | 0 | 0 | 0 | 123.8 | |||||
| 468 | A | 27.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -108.9 | -161.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 469 | P | 43.5 | Very low | 37 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -150.4 | -176.9 | 28.2 | 46.3 | -25 | 0 | 0 | 0 | 119.2 | ||||
| 470 | H | 28.8 | Very low | 37.1 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | 58 | 126.9 | 155.1 | -54.2 | -49 | 0 | 0 | 0 | 122.6 | ||||
| 471 | V | 31.8 | Very low | 36.6 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | -169.7 | 151.6 | 111.6 | 145.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 472 | A | 34.1 | Very low | 35.9 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -127.9 | 148.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 473 | L | 32.5 | Very low | 35.9 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | -157.4 | 162.7 | 167.1 | -108.5 | 174.3 | 0 | 0 | 0 | 111.8 | ||||
| 474 | G | 30.8 | Very low | 36.2 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -92.8 | -173.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 475 | P | 53.5 | Low | 36.8 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -98 | 149.6 | -163.4 | 36.8 | -35.2 | 0 | 0 | 0 | 115.1 | ||||
| 476 | H | 32.6 | Very low | 36 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -163.8 | 169.1 | 154.2 | -90.2 | -43.9 | 0 | 0 | 0 | 113.2 | ||||
| 477 | L | 34.1 | Very low | 36.2 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | 93 | 142.9 | 168.2 | -52.5 | -177.3 | 0 | 0 | 0 | 120.1 | ||||
| 478 | R | 31.4 | Very low | 36.4 | Very low | 229 Ų | 229 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -156.3 | -179.3 | -171 | -105.1 | -174.4 | 177.7 | 143.2 | -5.1 | 105.4 | ||||
| 479 | P | 51.3 | Low | 36.6 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 62% | 0.617 | 81% | 0.805 | S | S | * | * | cis | -117.8 | -140.3 | -40.7 | 30.6 | -7.3 | 0 | 0 | 0 | 108.4 | F481 | P479-F481 HydrophobicContact CB-CD2 4.31Š| ||
| 480 | P | 51.4 | Low | 36.3 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | -135.3 | 177.9 | 58 | 30.2 | -7.7 | 0 | 0 | 0 | 115.8 | |||||
| 481 | F | 35.3 | Very low | 36.4 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -121.8 | 145.7 | -177.7 | -82.1 | -103.4 | 0 | 0 | 0 | 112.5 | P479 | P479-F481 HydrophobicContact CB-CD2 4.31Š| ||
| 482 | L | 36.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -156.9 | 145.2 | 145.4 | -71.2 | -175.5 | 0 | 0 | 0 | 108.2 | ||||
| 483 | G | 30.8 | Very low | 37 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | cis | 173.3 | 68.4 | -7.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 484 | V | 36.3 | Very low | 37.3 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 70.7 | 156.6 | 150.5 | -175 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 485 | P | 41.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | cis | -116.7 | 159.9 | -19 | 29.3 | -12.1 | 0 | 0 | 0 | 115.2 | ||||
| 486 | S | 31.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -117.2 | 135.6 | 145.6 | -67.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 487 | A | 36.5 | Very low | 38.1 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | trans | -124.4 | 147.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 488 | L | 33.4 | Very low | 39.3 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | 65.1 | 116.6 | -172.7 | -42.9 | 175.3 | 0 | 0 | 0 | 111.8 | ||||
| 489 | C | 32.2 | Very low | 40.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | cis | -135 | 148.8 | 26 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 490 | Q | 35.8 | Very low | 41.3 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -108.7 | 126.2 | 160.8 | -66.4 | -177.4 | 11.2 | 0 | 0 | 109.2 | ||||
| 491 | T | 31.1 | Very low | 41.8 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -138.1 | 133.3 | 159.8 | 45.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 492 | P | 42.2 | Very low | 43.3 | Very low | 134 Ų | 134 | 121 Ų | 121 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | trans | -89.6 | 163.3 | -163 | 35.6 | -37.3 | 0 | 0 | 0 | 114 | ||||
| 493 | G | 38 | Very low | 45.2 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 96.8 | 58.9 | 151 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 494 | Y | 38.3 | Very low | 47 | Very low | 236 Ų | 236 | 121.5 Ų | 121.5 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -128.1 | 113.8 | 150.2 | -105 | -87.7 | 0 | 0 | 0 | 110.1 | F496 | Y494-F496 PolarHBondContact O-N 3.02Š| ||
| 495 | G | 37.6 | Very low | 48.9 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | trans | -73.9 | 118.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L497 | G495-L497 PolarHBondContact O-N 3.35Š| ||
| 496 | F | 45.7 | Very low | 50.7 | Low | 204 Ų | 204 | 117.9 Ų | 117.9 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | trans | -74.7 | 108 | 174.8 | -154.1 | -85.7 | 0 | 0 | 0 | 108.7 | Y494 | Y494-F496 PolarHBondContact O-N 3.02Š| ||
| 497 | L | 49.2 | Very low | 53.3 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -61.1 | 135.7 | 176.2 | -78.3 | 169.6 | 0 | 0 | 0 | 109.9 | G495 Q501 | G495-L497 PolarHBondContact O-N 3.35Å; L497-Q501 HydrophobicContact CD2-CG 4.46Å | ||
| 498 | P | 60.9 | Low | 55.7 | Low | 76 Ų | 76 | 122.7 Ų | 122.7 | 49% | 0.494 | 68% | 0.676 | S | S | . | * | trans | -55.9 | 141.1 | 172.2 | -24.8 | 34.6 | 0 | 0 | 0 | 110.9 | A500 Q501 A502 | P498-A500 VanDerWaalsContact C-N 3.31Å; P498-A500 PolarHBondContact O-N 3.22Å; P498-Q501 WeakPolarHBondContact O-CA 3.47Å; P498-Q501 WeakPolarHBondContact O-CB 3.18Å; P498-Q501 PolarHBondContact O-N 2.91Å; P498-A502 PolarHBondContact O-N 3.46Å | ||
| 499 | P | 60.8 | Low | 58.1 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -56.5 | -40 | -170.2 | 17.6 | -30.5 | 0 | 0 | 0 | 113.6 | Q501 A502 E503 | P499-Q501 PolarHBondContact O-N 3.47Å; P499-A502 WeakPolarHBondContact O-CB 3.35Å; P499-A502 PolarHBondContact O-N 2.94Å; P499-A502 VanDerWaalsContact O-N 3.09Å; P499-E503 WeakPolarHBondContact O-CG 3.37Å; P499-E503 PolarHBondContact O-N 3.41Å |
| 500 | A | 62.8 | Low | 60.7 | Low | 61 Ų | 61 | 117 Ų | 117 | 50% | 0.504 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -58.4 | -29.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P498 M504 | P498-A500 VanDerWaalsContact C-N 3.31Å; P498-A500 PolarHBondContact O-N 3.22Å; A500-M504 WeakPolarHBondContact O-CG 3.3Å; A500-M504 PolarHBondContact O-N 3.18Å; A500-M504 VanDerWaalsContact O-N 3.13Å |
| 501 | Q | 61.3 | Low | 63.3 | Low | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -80.5 | -32.5 | 178.3 | -155.8 | 168.9 | 18.7 | 0 | 0 | 111.7 | L497 P498 P499 M504 F505 | L497-Q501 HydrophobicContact CD2-CG 4.46Å; P498-Q501 WeakPolarHBondContact O-CA 3.47Å; P498-Q501 WeakPolarHBondContact O-CB 3.18Å; P498-Q501 PolarHBondContact O-N 2.91Å; P499-Q501 PolarHBondContact O-N 3.47Å; Q501-M504 HydrophobicContact CG-CE 4.49Å; Q501-F505 PolarHBondContact O-N 3.41Å |
| 502 | A | 67.9 | Low | 66 | Low | 50 Ų | 50 | 111.6 Ų | 111.6 | 41% | 0.413 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -39.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P498 P499 F505 A506 | P498-A502 PolarHBondContact O-N 3.46Å; P499-A502 WeakPolarHBondContact O-CB 3.35Å; P499-A502 PolarHBondContact O-N 2.94Å; P499-A502 VanDerWaalsContact O-N 3.09Å; A502-F505 PolarHBondContact O-N 3.42Å; A502-A506 WeakPolarHBondContact O-CB 3.49Å; A502-A506 PolarHBondContact O-N 3.05Å |
| 503 | E | 75.8 | Confident | 68.1 | Low | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -43.2 | 175.4 | -74.4 | 173.6 | -162.9 | 0 | 0 | 112.5 | P499 F505 A506 W507 | P499-E503 WeakPolarHBondContact O-CG 3.37Å; P499-E503 PolarHBondContact O-N 3.41Å; E503-F505 VanDerWaalsContact C-N 3.33Å; E503-F505 PolarHBondContact O-N 3.41Å; E503-A506 PolarHBondContact O-N 3.44Å; E503-W507 PolarHBondContact O-N 3.09Å |
| 504 | M | 69.6 | Low | 70.4 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -40.8 | 172.9 | -76.3 | -171.7 | -70.8 | 0 | 0 | 112.2 | A500 Q501 W507 Q508 | A500-M504 WeakPolarHBondContact O-CG 3.3Å; A500-M504 PolarHBondContact O-N 3.18Å; A500-M504 VanDerWaalsContact O-N 3.13Å; Q501-M504 HydrophobicContact CG-CE 4.49Å; M504-W507 PolarHBondContact O-N 2.75Å; M504-Q508 WeakPolarHBondContact O-CB 3.33Å; M504-Q508 PolarHBondContact O-N 3.47Å |
| 505 | F | 74.7 | Confident | 72.5 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.4 | -38.3 | 177.2 | -165.5 | -106.7 | 0 | 0 | 0 | 112.3 | Q501 A502 E503 Q508 Q509 | Q501-F505 PolarHBondContact O-N 3.41Å; A502-F505 PolarHBondContact O-N 3.42Å; E503-F505 VanDerWaalsContact C-N 3.33Å; E503-F505 PolarHBondContact O-N 3.41Å; F505-Q508 PolarHBondContact O-N 2.86Å; F505-Q509 HydrophobicContact CD1-CG 4.47Å; F505-Q509 HydrophobicContact CE1-CG 4.32Å; F505-Q509 VanDerWaalsContact CE1-NE2 3.27Å; F505-Q509 WeakPolarHBondContact O-CG 3.41Å; F505-Q509 PolarHBondContact O-N 3.37Å |
| 506 | A | 80.4 | Confident | 74.4 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | A502 E503 Q509 E510 | A502-A506 WeakPolarHBondContact O-CB 3.49Å; A502-A506 PolarHBondContact O-N 3.05Å; E503-A506 PolarHBondContact O-N 3.44Å; A506-Q509 PolarHBondContact O-N 3.3Å; A506-E510 WeakPolarHBondContact O-CB 3.22Å; A506-E510 PolarHBondContact O-N 3.09Å |
| 507 | W | 84.3 | Confident | 75.9 | Confident | 187 Ų | 187 | 101.9 Ų | 101.9 | 71% | 0.708 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 172.4 | -97 | 103.5 | 0 | 0 | 0 | 112.7 | E503 M504 E510 L511 | E503-W507 PolarHBondContact O-N 3.09Å; M504-W507 PolarHBondContact O-N 2.75Å; W507-E510 PolarHBondContact O-N 3.43Å; W507-L511 WeakPolarHBondContact O-CB 3.33Å; W507-L511 PolarHBondContact O-N 2.68Å |
| 508 | Q | 87.3 | Confident | 76.9 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 175.9 | -174.3 | 176 | -11.1 | 0 | 0 | 111.7 | M504 F505 L512 | M504-Q508 WeakPolarHBondContact O-CB 3.33Å; M504-Q508 PolarHBondContact O-N 3.47Å; F505-Q508 PolarHBondContact O-N 2.86Å; Q508-L512 WeakPolarHBondContact O-CB 3.48Å; Q508-L512 PolarHBondContact O-N 2.58Å |
| 509 | Q | 83.5 | Confident | 77.3 | Confident | 119 Ų | 119 | 104 Ų | 104 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 173.2 | -74.1 | -170.6 | -12.8 | 0 | 0 | 112.4 | F505 A506 L512 R513 | F505-Q509 HydrophobicContact CD1-CG 4.47Å; F505-Q509 HydrophobicContact CE1-CG 4.32Å; F505-Q509 VanDerWaalsContact CE1-NE2 3.27Å; F505-Q509 WeakPolarHBondContact O-CG 3.41Å; F505-Q509 PolarHBondContact O-N 3.37Å; A506-Q509 PolarHBondContact O-N 3.3Å; Q509-L512 PolarHBondContact O-N 3.09Å; Q509-R513 WeakPolarHBondContact O-CB 3.32Å; Q509-R513 PolarHBondContact O-N 3.49Å |
| 510 | E | 87.7 | Confident | 77.5 | Confident | 56 Ų | 56 | 105.6 Ų | 105.6 | 26% | 0.262 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 177.9 | 176 | 57.5 | -166.7 | 0 | 0 | 112.4 | A506 W507 R513 K514 | A506-E510 WeakPolarHBondContact O-CB 3.22Å; A506-E510 PolarHBondContact O-N 3.09Å; W507-E510 PolarHBondContact O-N 3.43Å; E510-R513 VanDerWaalsContact CD-NH2 3.3Å; E510-R513 PolarHBondContact O-N 3.49Å; E510-R513 IonicContact OE1-CZ 2.8Å; E510-R513 IonicContact OE1-NE 2.73Å; E510-R513 IonicContact OE1-NH2 3.18Å; E510-R513 PolarHBondContact OE1-NH2 2.71Å; E510-R513 IonicContact OE2-CZ 2.67Å; E510-R513 VanDerWaalsContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 2.73Å; E510-R513 PolarHBondContact OE2-NE 2.82Å; E510-R513 IonicContact OE2-NH2 3.57Å; E510-R513 PolarHBondContact OE2-NH2 2.9Å; E510-K514 HydrophobicContact CG-CD 4.29Å; E510-K514 WeakPolarHBondContact O-CB 3.18Å; E510-K514 WeakPolarHBondContact O-CG 3.46Å; E510-K514 PolarHBondContact O-N 3.33Å; E510-K514 WeakPolarHBondContact OE1-CE 3.38Å; E510-K514 IonicContact OE1-NZ 2.76Å; E510-K514 PolarHBondContact OE1-NZ 3.5Å |
| 511 | L | 91.3 | Very high | 77.7 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 173.3 | -175.8 | 63.3 | 0 | 0 | 0 | 111.3 | W507 R513 K514 Q515 | W507-L511 WeakPolarHBondContact O-CB 3.33Å; W507-L511 PolarHBondContact O-N 2.68Å; L511-R513 VanDerWaalsContact C-N 3.33Å; L511-R513 PolarHBondContact O-N 2.98Å; L511-K514 PolarHBondContact O-N 2.91Å; L511-Q515 PolarHBondContact O-N 3.37Å |
| 512 | L | 87.1 | Confident | 77.7 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 174.7 | -173.7 | 62.9 | 0 | 0 | 0 | 111.7 | Q508 Q509 Q515 N516 | Q508-L512 WeakPolarHBondContact O-CB 3.48Å; Q508-L512 PolarHBondContact O-N 2.58Å; Q509-L512 PolarHBondContact O-N 3.09Å; L512-Q515 PolarHBondContact O-N 2.82Å; L512-N516 PolarHBondContact O-N 3.03Å; L512-N516 PolarHBondContact O-ND2 3.31Å |
| 513 | R | 85.6 | Confident | 77.5 | Confident | 142 Ų | 142 | 109.5 Ų | 109.5 | 54% | 0.536 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 174 | -164.7 | -175.5 | 69.4 | 82.3 | 6.3 | 111.4 | Q509 E510 L511 N516 L517 | Q509-R513 WeakPolarHBondContact O-CB 3.32Å; Q509-R513 PolarHBondContact O-N 3.49Å; E510-R513 VanDerWaalsContact CD-NH2 3.3Å; E510-R513 PolarHBondContact O-N 3.49Å; E510-R513 IonicContact OE1-CZ 2.8Å; E510-R513 IonicContact OE1-NE 2.73Å; E510-R513 IonicContact OE1-NH2 3.18Å; E510-R513 PolarHBondContact OE1-NH2 2.71Å; E510-R513 IonicContact OE2-CZ 2.67Å; E510-R513 VanDerWaalsContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 2.73Å; E510-R513 PolarHBondContact OE2-NE 2.82Å; E510-R513 IonicContact OE2-NH2 3.57Å; E510-R513 PolarHBondContact OE2-NH2 2.9Å; L511-R513 VanDerWaalsContact C-N 3.33Å; L511-R513 PolarHBondContact O-N 2.98Å; R513-N516 PolarHBondContact O-N 3.5Å; R513-L517 PolarHBondContact O-N 3.31Å |
| 514 | K | 87.1 | Confident | 76.7 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175 | -78.9 | 166.5 | 169 | 144.3 | 0 | 112.7 | E510 L511 N516 L517 A518 | E510-K514 HydrophobicContact CG-CD 4.29Å; E510-K514 WeakPolarHBondContact O-CB 3.18Å; E510-K514 WeakPolarHBondContact O-CG 3.46Å; E510-K514 PolarHBondContact O-N 3.33Å; E510-K514 WeakPolarHBondContact OE1-CE 3.38Å; E510-K514 IonicContact OE1-NZ 2.76Å; E510-K514 PolarHBondContact OE1-NZ 3.5Å; L511-K514 PolarHBondContact O-N 2.91Å; K514-N516 VanDerWaalsContact C-N 3.34Å; K514-N516 PolarHBondContact O-N 2.95Å; K514-L517 WeakPolarHBondContact O-CB 3.45Å; K514-L517 PolarHBondContact O-N 3.31Å; K514-A518 PolarHBondContact O-N 3.32Å |
| 515 | Q | 82.9 | Confident | 76.4 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.9 | -170.9 | -171.3 | 88.5 | 0 | 0 | 111.5 | L511 L512 A518 R519 | L511-Q515 PolarHBondContact O-N 3.37Å; L512-Q515 PolarHBondContact O-N 2.82Å; Q515-A518 PolarHBondContact O-N 2.98Å; Q515-R519 WeakPolarHBondContact O-CG 3.14Å; Q515-R519 PolarHBondContact O-N 3.44Å; Q515-R519 VanDerWaalsContact O-N 3.16Å |
| 516 | N | 77 | Confident | 75.8 | Confident | 67 Ų | 67 | 104.1 Ų | 104.1 | 36% | 0.358 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 176.2 | -76.2 | -65.1 | 0 | 0 | 0 | 112.9 | L512 R513 K514 R519 L520 | L512-N516 PolarHBondContact O-N 3.03Å; L512-N516 PolarHBondContact O-ND2 3.31Å; R513-N516 PolarHBondContact O-N 3.5Å; K514-N516 VanDerWaalsContact C-N 3.34Å; K514-N516 PolarHBondContact O-N 2.95Å; N516-R519 PolarHBondContact O-N 2.97Å; N516-L520 WeakPolarHBondContact O-CG 3.16Å; N516-L520 PolarHBondContact O-N 3.32Å |
| 517 | L | 77.4 | Confident | 74.9 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 172.5 | -163 | 78.9 | 0 | 0 | 0 | 111.3 | R513 K514 R519 L520 E521 | R513-L517 PolarHBondContact O-N 3.31Å; K514-L517 WeakPolarHBondContact O-CB 3.45Å; K514-L517 PolarHBondContact O-N 3.31Å; L517-R519 PolarHBondContact O-N 3.03Å; L517-L520 CarbonylContact O-C 3.6Å; L517-L520 WeakPolarHBondContact O-CA 3.37Å; L517-L520 WeakPolarHBondContact O-CB 3.48Å; L517-L520 PolarHBondContact O-N 2.94Å; L517-E521 PolarHBondContact O-N 3.26Å |
| 518 | A | 69.1 | Low | 74.1 | Confident | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -33.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K514 Q515 L520 E521 L522 | K514-A518 PolarHBondContact O-N 3.32Å; Q515-A518 PolarHBondContact O-N 2.98Å; A518-L520 PolarHBondContact O-N 2.96Å; A518-E521 PolarHBondContact O-N 2.63Å; A518-L522 PolarHBondContact O-N 3.42Å |
| 519 | R | 68.9 | Low | 73 | Confident | 170 Ų | 170 | 106 Ų | 106 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.9 | -15.8 | 172.9 | -71.2 | -178.8 | 75 | -153 | 5.5 | 114.1 | Q515 N516 L517 P523 | Q515-R519 WeakPolarHBondContact O-CG 3.14Å; Q515-R519 PolarHBondContact O-N 3.44Å; Q515-R519 VanDerWaalsContact O-N 3.16Å; N516-R519 PolarHBondContact O-N 2.97Å; L517-R519 PolarHBondContact O-N 3.03Å; R519-P523 WeakPolarHBondContact O-CD 3.21Å; R519-P523 WeakPolarHBondContact O-CG 3.47Å |
| 520 | L | 66.5 | Low | 72.4 | Confident | 127 Ų | 127 | 107.5 Ų | 107.5 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -100.5 | -20 | 176.1 | -67.6 | 169.9 | 0 | 0 | 0 | 113 | N516 L517 A518 | N516-L520 WeakPolarHBondContact O-CG 3.16Å; N516-L520 PolarHBondContact O-N 3.32Å; L517-L520 CarbonylContact O-C 3.6Å; L517-L520 WeakPolarHBondContact O-CA 3.37Å; L517-L520 WeakPolarHBondContact O-CB 3.48Å; L517-L520 PolarHBondContact O-N 2.94Å; A518-L520 PolarHBondContact O-N 2.96Å |
| 521 | E | 66.3 | Low | 71.3 | Confident | 104 Ų | 104 | 111.3 Ų | 111.3 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.6 | -45.3 | 174 | -71 | 166.7 | 161.7 | 0 | 0 | 111.6 | L517 A518 A524 D525 | L517-E521 PolarHBondContact O-N 3.26Å; A518-E521 PolarHBondContact O-N 2.63Å; E521-A524 WeakPolarHBondContact O-CA 3.4Å; E521-A524 WeakPolarHBondContact O-CB 3.3Å; E521-A524 PolarHBondContact O-N 3.36Å; E521-D525 PolarHBondContact O-N 3.3Å |
| 522 | L | 61.9 | Low | 69.7 | Low | 130 Ų | 130 | 112 Ų | 112 | 68% | 0.681 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -55.9 | -41.6 | -179.6 | -148.6 | 82.2 | 0 | 0 | 0 | 114.2 | A518 L526 | A518-L522 PolarHBondContact O-N 3.42Å; L522-L526 PolarHBondContact O-N 3.47Å |
| 523 | P | 62.8 | Low | 68.1 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 40% | 0.403 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.7 | -28.3 | 172.8 | -19.7 | 34.3 | 0 | 0 | 0 | 114 | R519 L527 | R519-P523 WeakPolarHBondContact O-CD 3.21Å; R519-P523 WeakPolarHBondContact O-CG 3.47Å; P523-L527 WeakPolarHBondContact O-CG 3.33Å; P523-L527 PolarHBondContact O-N 3.32Å |
| 524 | A | 59.6 | Low | 66.4 | Low | 50 Ų | 50 | 111.7 Ų | 111.7 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.3 | -40.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E521 L527 R528 | E521-A524 WeakPolarHBondContact O-CA 3.4Å; E521-A524 WeakPolarHBondContact O-CB 3.3Å; E521-A524 PolarHBondContact O-N 3.36Å; A524-L527 PolarHBondContact O-N 2.88Å; A524-R528 PolarHBondContact O-N 2.98Å |
| 525 | D | 62.8 | Low | 64.5 | Low | 100 Ų | 100 | 110.3 Ų | 110.3 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.8 | -37.7 | 173.4 | -78.6 | -36.7 | 0 | 0 | 0 | 112.1 | E521 L527 R528 Q529 | E521-D525 PolarHBondContact O-N 3.3Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 3Å; D525-R528 PolarHBondContact O-N 3.06Å; D525-Q529 VanDerWaalsContact O-CB 3.29Å; D525-Q529 WeakPolarHBondContact O-CB 3.38Å; D525-Q529 PolarHBondContact O-N 2.96Å |
| 526 | L | 62.6 | Low | 62.5 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.4 | -37.3 | 170.7 | -86.4 | 166.9 | 0 | 0 | 0 | 112.7 | L522 K530 | L522-L526 PolarHBondContact O-N 3.47Å; L526-K530 VanDerWaalsContact O-CB 3.32Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 2.79Å |
| 527 | L | 62.2 | Low | 60.8 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.3 | -45.1 | 173.8 | -77 | 167.1 | 0 | 0 | 0 | 111.9 | P523 A524 D525 Q529 K530 E531 | P523-L527 WeakPolarHBondContact O-CG 3.33Å; P523-L527 PolarHBondContact O-N 3.32Å; A524-L527 PolarHBondContact O-N 2.88Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 3Å; L527-Q529 VanDerWaalsContact C-N 3.33Å; L527-Q529 PolarHBondContact O-N 2.91Å; L527-K530 PolarHBondContact O-N 3Å; L527-E531 PolarHBondContact O-N 3.18Å |
| 528 | R | 65.8 | Low | 58.9 | Low | 175 Ų | 175 | 122 Ų | 122 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.8 | -41.2 | 173.9 | -83.9 | -164.2 | 68.1 | -160.6 | -1.9 | 112.7 | A524 D525 E531 L532 | A524-R528 PolarHBondContact O-N 2.98Å; D525-R528 PolarHBondContact O-N 3.06Å; R528-E531 PolarHBondContact O-N 2.98Å; R528-L532 WeakPolarHBondContact O-CB 3.25Å; R528-L532 PolarHBondContact O-N 2.85Å |
| 529 | Q | 65 | Low | 57.1 | Low | 125 Ų | 125 | 127.1 Ų | 127.1 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.4 | -39.2 | 179.2 | -173.1 | 167.6 | -19.4 | 0 | 0 | 110.9 | D525 L527 L532 E533 | D525-Q529 VanDerWaalsContact O-CB 3.29Å; D525-Q529 WeakPolarHBondContact O-CB 3.38Å; D525-Q529 PolarHBondContact O-N 2.96Å; L527-Q529 VanDerWaalsContact C-N 3.33Å; L527-Q529 PolarHBondContact O-N 2.91Å; Q529-L532 PolarHBondContact O-N 3.37Å; Q529-E533 PolarHBondContact O-N 3.2Å |
| 530 | K | 70.3 | Confident | 55.2 | Low | 149 Ų | 149 | 127.2 Ų | 127.2 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67 | -38.5 | 173.4 | -172.3 | 172.4 | -177 | 175.2 | 0 | 113 | L526 L527 S534 | L526-K530 VanDerWaalsContact O-CB 3.32Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 2.79Å; L527-K530 PolarHBondContact O-N 3Å; K530-S534 WeakPolarHBondContact O-CB 3.36Å; K530-S534 PolarHBondContact O-N 2.88Å; K530-S534 PolarHBondContact O-OG 2.71Å |
| 531 | E | 64.4 | Low | 53.6 | Low | 137 Ų | 137 | 125.4 Ų | 125.4 | 64% | 0.64 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62 | -44.1 | 170.5 | -76.7 | -168.2 | 141.4 | 0 | 0 | 110.9 | L527 R528 E533 S534 A535 | L527-E531 PolarHBondContact O-N 3.18Å; R528-E531 PolarHBondContact O-N 2.98Å; E531-E533 PolarHBondContact O-N 2.77Å; E531-S534 WeakPolarHBondContact CA-OG 3.33Å; E531-S534 CarbonylContact O-C 3.6Å; E531-S534 PolarHBondContact O-N 2.9Å; E531-S534 VanDerWaalsContact O-N 3.11Å; E531-S534 PolarHBondContact O-OG 3.02Å; E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.79Å |
| 532 | L | 57.8 | Low | 52.1 | Low | 132 Ų | 132 | 126.5 Ų | 126.5 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65 | -35.8 | 179.8 | -160.6 | 73.8 | 0 | 0 | 0 | 113 | R528 Q529 | R528-L532 WeakPolarHBondContact O-CB 3.25Å; R528-L532 PolarHBondContact O-N 2.85Å; Q529-L532 PolarHBondContact O-N 3.37Å |
| 533 | E | 53.4 | Low | 50.7 | Low | 136 Ų | 136 | 128.9 Ų | 128.9 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.5 | -40.3 | 169.4 | -76.6 | -166.4 | 118.8 | 0 | 0 | 112.3 | Q529 E531 A535 R536 | Q529-E533 PolarHBondContact O-N 3.2Å; E531-E533 PolarHBondContact O-N 2.77Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.69Å; E533-R536 WeakPolarHBondContact O-CB 3.4Å; E533-R536 PolarHBondContact O-N 2.85Å |
| 534 | S | 50.2 | Low | 49 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.3 | -26.5 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | K530 E531 R536 | K530-S534 WeakPolarHBondContact O-CB 3.36Å; K530-S534 PolarHBondContact O-N 2.88Å; K530-S534 PolarHBondContact O-OG 2.71Å; E531-S534 WeakPolarHBondContact CA-OG 3.33Å; E531-S534 CarbonylContact O-C 3.6Å; E531-S534 PolarHBondContact O-N 2.9Å; E531-S534 VanDerWaalsContact O-N 3.11Å; E531-S534 PolarHBondContact O-OG 3.02Å; S534-R536 PolarHBondContact O-N 2.83Å |
| 535 | A | 47.3 | Very low | 47.5 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 5.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E531 E533 P537 | E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.79Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.69Å; A535-P537 WeakPolarHBondContact O-CD 3Å |
| 536 | R | 40.6 | Very low | 45.7 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -90.9 | 108.2 | -175.7 | -162.6 | 174.7 | -173.1 | 177.2 | 1.9 | 110.7 | E533 S534 Q538 | E533-R536 WeakPolarHBondContact O-CB 3.4Å; E533-R536 PolarHBondContact O-N 2.85Å; S534-R536 PolarHBondContact O-N 2.83Å; R536-Q538 PolarHBondContact O-N 3.25Å |
| 537 | P | 41.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 121 | -172 | -19.1 | 33.4 | 0 | 0 | 0 | 112.3 | A535 L539 | A535-P537 WeakPolarHBondContact O-CD 3Å; P537-L539 PolarHBondContact O-N 3.01Å; P537-L539 VanDerWaalsContact O-N 3.14Å | ||
| 538 | Q | 37.8 | Very low | 43.2 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 94% | 0.939 | 75% | 0.748 | S | S | * | * | trans | -81.3 | 86.4 | 169.9 | -68.2 | -172.1 | 6.4 | 0 | 0 | 110.3 | R536 | R536-Q538 PolarHBondContact O-N 3.25Š| ||
| 539 | L | 32.2 | Very low | 41.3 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -86.3 | 106.9 | 162.5 | -92.3 | 170.3 | 0 | 0 | 0 | 109.5 | P537 | P537-L539 PolarHBondContact O-N 3.01Å; P537-L539 VanDerWaalsContact O-N 3.14Å | ||
| 540 | L | 29.5 | Very low | 39.5 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | -173.2 | 102.2 | 145.3 | -106.4 | 167.6 | 0 | 0 | 0 | 111.3 | ||||
| 541 | A | 31.4 | Very low | 37.5 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -144.7 | 125 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 542 | P | 35.6 | Very low | 35.8 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -85.6 | 139.2 | -178.8 | 32.4 | -32.8 | 0 | 0 | 0 | 112 | ||||
| 543 | E | 32.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -97.5 | 144.4 | 173.3 | -70.4 | -146.1 | 142 | 0 | 0 | 113.3 | ||||
| 544 | T | 25.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -162.5 | 95.3 | 151.8 | 2.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 545 | A | 28.6 | Very low | 32.9 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | 75.1 | 120.5 | 60.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 546 | L | 25.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -159.7 | 159.7 | 148.8 | -108.3 | 174.7 | 0 | 0 | 0 | 112 | ||||
| 547 | R | 30.1 | Very low | 31.8 | Very low | 224 Ų | 224 | 140 Ų | 140 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -135.8 | -168.5 | -172.6 | -92.8 | -75 | 142.4 | 139.3 | -6 | 107.8 | ||||
| 548 | P | 43.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -119 | -140.6 | 6.3 | 38.9 | -17 | 0 | 0 | 0 | 111.4 | ||||
| 549 | N | 25.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | cis | -149.1 | -169.6 | 2.4 | -132.9 | 11.4 | 0 | 0 | 0 | 108.2 | ||||
| 550 | D | 27.7 | Very low | 31.2 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -152 | 159.8 | 7.5 | -140.1 | -38.7 | 0 | 0 | 0 | 112.5 | ||||
| 551 | G | 26.9 | Very low | 31.1 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 73.4 | 151.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 552 | A | 29.5 | Very low | 31.1 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | cis | -165.8 | 161.3 | -14.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 553 | E | 31 | Very low | 30.7 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 62.8 | 149.4 | 158.4 | -71.5 | 178.2 | 119.1 | 0 | 0 | 119.6 | ||||
| 554 | E | 31.3 | Very low | 30.4 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -160.5 | 106.6 | -17.4 | 177.4 | 69.2 | -178.8 | 0 | 0 | 106.4 | ||||
| 555 | L | 37.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | 80.2 | 136.8 | 86.3 | -149.4 | 80.2 | 0 | 0 | 0 | 116.4 | |||||
| 556 | Q | 32.2 | Very low | 30.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | 131.2 | 139.2 | 116.6 | -157.3 | 46.9 | -77.1 | 0 | 0 | 117.8 | |||||
| 557 | R | 33.6 | Very low | 30.8 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | 80.1 | 134.2 | 170.1 | -47 | -159.2 | -165.9 | -71.6 | 2 | 117.7 | ||||
| 558 | R | 37.3 | Very low | 30.8 | Very low | 210 Ų | 210 | 126.2 Ų | 126.2 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | cis | -162.1 | 125.4 | -5.9 | -123.2 | 176 | -178.1 | 164.7 | -1.8 | 113 | ||||
| 559 | G | 28.5 | Very low | 30 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 70.1 | 164.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 560 | A | 31.3 | Very low | 31.1 | Very low | 87 Ų | 87 | 124.7 Ų | 124.7 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | cis | -163.9 | 178.7 | -13.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 561 | L | 28.7 | Very low | 31.1 | Very low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | 76.5 | 120.6 | 177.7 | -77.8 | 75.2 | 0 | 0 | 0 | 114.9 | ||||
| 562 | L | 31.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | 70.8 | 137.9 | 78.8 | -63.4 | -173.6 | 0 | 0 | 0 | 111.1 | |||||
| 563 | V | 26.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | cis | -166.4 | 155.7 | 9.3 | 98.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 564 | L | 26.3 | Very low | 30.7 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 48.8 | 167.8 | 158.2 | -61.8 | 171.9 | 0 | 0 | 0 | 120.5 | ||||
| 565 | N | 24.9 | Very low | 31.4 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 56% | 0.561 | 73% | 0.73 | S | S | * | * | cis | -176.5 | 135.7 | -43.6 | -155.7 | 11.6 | 0 | 0 | 0 | 108 | ||||
| 566 | H | 31.1 | Very low | 31.9 | Very low | 176 Ų | 176 | 124 Ų | 124 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | trans | 59.2 | 162.7 | 170.7 | -45 | -43.6 | 0 | 0 | 0 | 116.3 | ||||
| 567 | G | 31.3 | Very low | 31.8 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | -164.3 | -174.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 568 | A | 30 | Very low | 31.4 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | cis | -153.7 | 164.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 569 | A | 27.6 | Very low | 31.8 | Very low | 90 Ų | 90 | 117.3 Ų | 117.3 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | cis | 63.8 | 154.6 | 35.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 570 | P | 49.2 | Very low | 32.8 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -142.5 | 173 | -7.5 | 43.8 | -26.3 | 0 | 0 | 0 | 116.3 | ||||
| 571 | L | 26.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 48.4 | 138.7 | 131.9 | -67.6 | 169.7 | 0 | 0 | 0 | 125.3 | ||||
| 572 | L | 26.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 118 Ų | 118 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | 74 | 137.8 | 131.2 | -71.1 | 167.8 | 0 | 0 | 0 | 123.7 | L574 | L572-L574 HydrophobicContact CD2-CD1 4.14Å; L572-L574 HydrophobicContact CD2-CG 4.02Å | ||
| 573 | A | 25.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -140.1 | 141.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 574 | L | 26.3 | Very low | 33.8 | Very low | 142 Ų | 142 | 115.3 Ų | 115.3 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -111.9 | -157 | 166.8 | -66.3 | 157.8 | 0 | 0 | 0 | 106.5 | L572 | L572-L574 HydrophobicContact CD2-CD1 4.14Å; L572-L574 HydrophobicContact CD2-CG 4.02Å | ||
| 575 | P | 47.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | cis | -131.3 | -138.4 | -14.8 | 40 | -17.4 | 0 | 0 | 0 | 109.2 | ||||
| 576 | P | 47.3 | Very low | 35.1 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 59% | 0.591 | 76% | 0.764 | S | S | * | * | cis | -132.4 | -174.7 | -25.7 | 29 | -6.3 | 0 | 0 | 0 | 115.4 | ||||
| 577 | Q | 31 | Very low | 35.7 | Very low | 183 Ų | 183 | 111 Ų | 111 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 104.6 | 139 | 152.5 | -49.3 | -56 | 0.9 | 0 | 0 | 120.8 | ||||
| 578 | G | 25.5 | Very low | 35.6 | Very low | 65 Ų | 65 | 112.4 Ų | 112.4 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -120.9 | -135.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 579 | P | 45.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | cis | -128.4 | -118.6 | 4.8 | 27.9 | -0.2 | 0 | 0 | 0 | 114.7 | ||||
| 580 | P | 48.7 | Very low | 35.4 | Very low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | -134.2 | 174.9 | -117.8 | 43.5 | -25 | 0 | 0 | 0 | 118.6 | |||||
| 581 | G | 28.5 | Very low | 34.6 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 130.1 | 141.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 582 | S | 32.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | cis | -147.9 | 159.6 | -7.1 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 583 | G | 29.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -90.7 | -157.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 584 | P | 47.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -128.6 | -177.3 | 5.1 | 42.5 | -26.8 | 0 | 0 | 0 | 115.2 | ||||
| 585 | P | 46.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | trans | -124.7 | -170.4 | -174 | 30.9 | -9.4 | 0 | 0 | 0 | 115.4 | ||||
| 586 | T | 32.1 | Very low | 35.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 83.6 | 168.3 | 160.1 | 76 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 587 | P | 45.2 | Very low | 34.5 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | -142.5 | 173.9 | -61.2 | 42.7 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 588 | S | 27.8 | Very low | 34.5 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 33.6 | 138.6 | 141.9 | 67.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 589 | R | 27 | Very low | 34.5 | Very low | 247 Ų | 247 | 139.4 Ų | 139.4 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | -155 | 148.9 | 127.8 | -146.1 | 171.8 | 178.5 | 177.5 | -0.3 | 115.7 | |||||
| 590 | D | 26.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -76.4 | 155 | 178.5 | -81.5 | -84.7 | 0 | 0 | 0 | 117.6 | ||||
| 591 | S | 32.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 44.6 | 114.8 | 135.6 | -62 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 592 | A | 28.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 139 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 593 | R | 30.7 | Very low | 34.4 | Very low | 235 Ų | 235 | 137.1 Ų | 137.1 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -108.9 | 147.2 | 171.5 | -41.7 | 176.3 | -160.4 | -159.5 | 2.4 | 109.5 | ||||
| 594 | R | 26.4 | Very low | 34.1 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -172.9 | 154.3 | 134 | -111.2 | 164.8 | -113 | -117.4 | 3.5 | 115.1 | ||||
| 595 | A | 31.7 | Very low | 33.1 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -103.8 | -164.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 596 | P | 48.1 | Very low | 32.1 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | cis | -145.7 | -174.3 | 14 | 43.8 | -22.4 | 0 | 0 | 0 | 118 | ||||
| 597 | R | 32.1 | Very low | 32.2 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -2.7 | 147.6 | 152.6 | -54.7 | 175.9 | 168.6 | -159.1 | -5 | 118 | ||||
| 598 | K | 31.5 | Very low | 32.1 | Very low | 213 Ų | 213 | 143.3 Ų | 143.3 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | 169.6 | 145.5 | 70.7 | -178.4 | -176.8 | 179.8 | -172.3 | 0 | 111.5 | |||||
| 599 | G | 24.8 | Very low | 32 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 134.1 | 135.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 600 | G | 25.4 | Very low | 31.8 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -144 | -156.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 601 | P | 50.9 | Low | 31.9 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | cis | -114.4 | 165.9 | -3.9 | 41.4 | -28.8 | 0 | 0 | 0 | 112.7 | ||||
| 602 | G | 28.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | 108.5 | 172.1 | 68 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 603 | P | 49.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | cis | -134.2 | -158.1 | -11.7 | 43.6 | -24.9 | 0 | 0 | 0 | 114.3 | ||||
| 604 | A | 23.7 | Very low | 30.9 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 76.5 | 127.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 605 | S | 25.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | cis | 92.9 | 129.7 | 36 | -163.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 606 | A | 26.3 | Very low | 30.4 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -147.4 | -175.1 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 607 | R | 33.9 | Very low | 29.3 | Very low | 242 Ų | 242 | 131.7 Ų | 131.7 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 149.3 | 155.7 | -81.8 | -173.4 | 168.7 | -164.7 | -3.5 | 108.6 | ||||
| 608 | P | 42.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | -155.7 | -162.5 | 94.3 | 41.5 | -21.1 | 0 | 0 | 0 | 115.6 | |||||
| 609 | S | 25.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 69.8 | 105.8 | 148.8 | 61.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 610 | E | 24.3 | Very low | 29.1 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | 68 | 133.3 | 117 | -65.4 | -173.9 | 102.8 | 0 | 0 | 124.7 | |||||
| 611 | S | 26.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 94.8 | 135.4 | 135.9 | 80.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 612 | K | 25 | Very low | 28.2 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 62.6 | 101.5 | 132.1 | -160 | 168.8 | -172.5 | -179.7 | 0 | 121.2 | ||||
| 613 | E | 24.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | 60.1 | 139.8 | 117 | -146 | -167.3 | 136.6 | 0 | 0 | 121.7 | |||||
| 614 | M | 23.6 | Very low | 27.1 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | 80.7 | 111.2 | 150.9 | -149.3 | 59.6 | 72.7 | 0 | 0 | 120.5 | ||||
| 615 | T | 22 | Very low | 27.3 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 59.8 | 104.5 | 141.5 | -57.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 616 | G | 25.3 | Very low | 27.4 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | 92 | 137.3 | 101.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 617 | A | 25 | Very low | 27.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -155.5 | 139.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 618 | R | 28 | Very low | 27.3 | Very low | 240 Ų | 240 | 141.4 Ų | 141.4 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -137.4 | 122.8 | -176.2 | 174.9 | -168.9 | -179.6 | -165 | 2.2 | 109.7 | ||||
| 619 | L | 25.3 | Very low | 27.8 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -154.1 | 135.7 | 174.6 | -71.2 | -177.9 | 0 | 0 | 0 | 107.3 | ||||
| 620 | W | 29.5 | Very low | 29 | Very low | 223 Ų | 223 | 140.9 Ų | 140.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | cis | -145.7 | 156.7 | 4.4 | -96.3 | 104.2 | 0 | 0 | 0 | 110.4 | ||||
| 621 | A | 29.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | trans | 58.4 | 150.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 622 | Q | 29.2 | Very low | 29.8 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | cis | -167.3 | 157.5 | -11.4 | -107.1 | 175.7 | 83.6 | 0 | 0 | 105.4 | ||||
| 623 | D | 26.4 | Very low | 30.5 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | cis | -162.6 | 167.6 | -12.2 | -167.1 | 17.9 | 0 | 0 | 0 | 109.5 | ||||
| 624 | G | 27 | Very low | 31 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | 84 | 113.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 625 | S | 28.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 74.9 | 92.4 | 59.6 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 626 | E | 28.1 | Very low | 31.7 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | 90.4 | 114.2 | 63.4 | -77.4 | 177.2 | 138.1 | 0 | 0 | 113.7 | |||||
| 627 | D | 28.4 | Very low | 31.9 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -168.5 | 148.2 | 136.3 | -133.8 | -51.5 | 0 | 0 | 0 | 112.8 | ||||
| 628 | E | 30.9 | Very low | 33.2 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -170.4 | 127.8 | 176.8 | -146.7 | -92.8 | 138.1 | 0 | 0 | 105.7 | ||||
| 629 | P | 50.9 | Low | 33.4 | Very low | 94 Ų | 94 | 140 Ų | 140 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | -154.7 | -126.8 | 72.1 | 39.6 | -14.7 | 0 | 0 | 0 | 111.5 | |||||
| 630 | P | 52.2 | Low | 33.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | -106.9 | 165.8 | -51 | 23.5 | -2.5 | 0 | 0 | 0 | 111.7 | |||||
| 631 | K | 37.7 | Very low | 33.5 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 74.1 | 103.7 | 51.4 | -166 | -156.6 | 177.7 | -168.5 | 0 | 116.4 | |||||
| 632 | D | 29 | Very low | 33.5 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -154.1 | 141.4 | 150.7 | -83.7 | -41.8 | 0 | 0 | 0 | 106.7 | ||||
| 633 | S | 40.1 | Very low | 33.5 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 56% | 0.559 | 78% | 0.779 | S | S | * | * | cis | 104.9 | 90.7 | 19.7 | -92.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 634 | D | 33.9 | Very low | 33.5 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | 63.1 | 130 | 129.6 | -45.7 | -57.3 | 0 | 0 | 0 | 122.5 | |||||
| 635 | G | 29.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 175 | 140.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 636 | E | 30.6 | Very low | 33.3 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | -118 | 176.6 | -166.3 | -68.2 | -177.9 | 90.7 | 0 | 0 | 115.7 | ||||
| 637 | D | 29.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -63.3 | -169.6 | 177.8 | -131.1 | -4 | 0 | 0 | 0 | 113.8 | ||||
| 638 | P | 52.6 | Low | 33.4 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -143.2 | 177.3 | -2.6 | 38.9 | -17.1 | 0 | 0 | 0 | 119.6 | ||||
| 639 | E | 31.5 | Very low | 33.1 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 136.1 | 144.7 | -84 | -162 | 80.7 | 0 | 0 | 124.4 | ||||
| 640 | T | 28.2 | Very low | 32.6 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | 179.5 | 162.6 | 102.4 | 29.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 641 | A | 30.1 | Very low | 31.3 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -47.4 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 642 | A | 29.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | cis | -177.5 | -164.3 | -18.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 643 | V | 28.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | trans | 79.4 | 143.9 | 168.7 | -170.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 644 | G | 26.2 | Very low | 31 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | cis | -169.8 | -171.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 645 | C | 26.6 | Very low | 30.7 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -124 | 147.1 | -161.2 | -50.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 646 | R | 23.9 | Very low | 30.6 | Very low | 253 Ų | 253 | 125.4 Ų | 125.4 | 96% | 0.955 | 80% | 0.803 | S | S | * | * | trans | -172.8 | 160.3 | 148.6 | -109.9 | 174.2 | -172.5 | -105.5 | 2 | 112.7 | ||||
| 647 | G | 20 | Very low | 30.4 | Very low | 64 Ų | 64 | 119.7 Ų | 119.7 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | -126 | -155.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 648 | P | 40.2 | Very low | 30.4 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | cis | -134.5 | 174.5 | -6.3 | 42.7 | -26.4 | 0 | 0 | 0 | 115.4 | ||||
| 649 | T | 24.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | 38.8 | 161.7 | 149.1 | 46.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 650 | P | 40.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | cis | -134.5 | -177.6 | -12.3 | 38.9 | -20.1 | 0 | 0 | 0 | 115.9 | ||||
| 651 | G | 25.5 | Very low | 29 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 112.8 | 157.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 652 | Q | 27.3 | Very low | 29 | Very low | 188 Ų | 188 | 112.6 Ų | 112.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | cis | -166.6 | 123.8 | -12.7 | -175.9 | -179.7 | 23.7 | 0 | 0 | 112.3 | ||||
| 653 | A | 26 | Very low | 29.1 | Very low | 88 Ų | 88 | 117.4 Ų | 117.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 62.1 | 179.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 654 | P | 46.8 | Very low | 29 | Very low | 120 Ų | 120 | 113.2 Ų | 113.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -136 | 176.5 | -61.3 | 39.5 | -25.5 | 0 | 0 | 0 | 115.4 | |||||
| 655 | A | 27.3 | Very low | 29 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 64.7 | 162.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 656 | G | 27 | Very low | 28.9 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | cis | 152.1 | 147.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 657 | G | 27.5 | Very low | 29.7 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 119.5 | 149 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 658 | A | 28.9 | Very low | 30 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -147.6 | 165.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 659 | G | 25.7 | Very low | 29.5 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 132.8 | 144 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 660 | A | 31.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 61.1 | 129.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 661 | E | 25 | Very low | 29.1 | Very low | 162 Ų | 162 | 116.1 Ų | 116.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | 56.8 | 132.9 | 60.2 | -73.2 | -157.3 | 76.6 | 0 | 0 | 114.4 | K663 | E661-K663 IonicContact OE1-NZ 3.19Å; E661-K663 PolarHBondContact OE1-NZ 3.32Å | |||
| 662 | G | 30.3 | Very low | 29.5 | Very low | 57 Ų | 57 | 117.3 Ų | 117.3 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | cis | 154.9 | 170.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 663 | K | 32.6 | Very low | 29.8 | Very low | 190 Ų | 190 | 116.2 Ų | 116.2 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 68.3 | 142 | 177.1 | -52.4 | 125.9 | 177.3 | 154.5 | 0 | 114.5 | E661 | E661-K663 IonicContact OE1-NZ 3.19Å; E661-K663 PolarHBondContact OE1-NZ 3.32Å | ||
| 664 | G | 25.2 | Very low | 29.9 | Very low | 66 Ų | 66 | 114.6 Ų | 114.6 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 140.5 | 150.7 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 665 | L | 26.7 | Very low | 29 | Very low | 173 Ų | 173 | 118.8 Ų | 118.8 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | 170.2 | 159.3 | 141.6 | -91.2 | 165.5 | 0 | 0 | 0 | 112 | ||||
| 666 | F | 25.3 | Very low | 29.4 | Very low | 198 Ų | 198 | 117.9 Ų | 117.9 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | trans | -123.1 | -157.9 | -172.4 | -64 | -90 | 0 | 0 | 0 | 108.6 | ||||
| 667 | P | 40.4 | Very low | 29.4 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -142.4 | 173.2 | -5.6 | 42.4 | -23.8 | 0 | 0 | 0 | 118.3 | ||||
| 668 | G | 25.8 | Very low | 29.5 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 108.9 | 146.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 669 | S | 29.5 | Very low | 29.6 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | cis | -162.6 | 122.6 | -10.3 | -83.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 670 | T | 28.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 127 Ų | 127 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | trans | -178.7 | 155.6 | 140.4 | 19.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 671 | L | 27.6 | Very low | 29.9 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -127.5 | 173 | 178.5 | -73.6 | 175 | 0 | 0 | 0 | 108 | ||||
| 672 | P | 34.5 | Very low | 30.3 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | cis | -132.9 | -178.5 | 8.1 | 43.5 | -27.8 | 0 | 0 | 0 | 115.2 | ||||
| 673 | L | 33.6 | Very low | 30.1 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 58.5 | 113.3 | 163.7 | -62.7 | 161.5 | 0 | 0 | 0 | 116.3 | ||||
| 674 | G | 27.3 | Very low | 30.4 | Very low | 54 Ų | 54 | 134.8 Ų | 134.8 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | cis | 87.2 | 109.7 | 9.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 675 | F | 28.3 | Very low | 30.7 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | cis | -144.8 | 156.5 | -1.6 | -115.6 | -90.9 | 0 | 0 | 0 | 111.9 | ||||
| 676 | P | 35.3 | Very low | 30.9 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | trans | -112.9 | -167.7 | -175.3 | 23.8 | -0.6 | 0 | 0 | 0 | 113 | ||||
| 677 | Y | 27.3 | Very low | 31.1 | Very low | 221 Ų | 221 | 129 Ų | 129 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | 71.8 | 153.1 | 170 | -75.5 | -83.2 | 0 | 0 | 0 | 116.3 | ||||
| 678 | A | 29.6 | Very low | 30.7 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | -146.5 | 157.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 679 | V | 30.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | 30.9 | 119.4 | 129.5 | -177.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 680 | S | 25.8 | Very low | 30.7 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -155 | 100.4 | 141 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 681 | P | 38.7 | Very low | 31.1 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 168.6 | 171.4 | 35.9 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 682 | Y | 34.3 | Very low | 31 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -54.3 | 148.5 | 178.2 | -73.5 | -100.8 | 0 | 0 | 0 | 114.5 | ||||
| 683 | F | 26.6 | Very low | 31.4 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -134.3 | 130.9 | 141.8 | -85.8 | -76.4 | 0 | 0 | 0 | 111.5 | ||||
| 684 | H | 37.4 | Very low | 31.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -104.3 | 141.8 | 151.5 | -81 | -76.8 | 0 | 0 | 0 | 107.5 | ||||
| 685 | T | 31.1 | Very low | 31.9 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -152.3 | 140.1 | 156.5 | 8.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 686 | G | 31.8 | Very low | 32.2 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -156.9 | 135.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 687 | A | 29 | Very low | 32 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -173.4 | 141.6 | -179 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 688 | V | 33.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | cis | -144.6 | 162.1 | -12 | -95.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 689 | G | 28.4 | Very low | 32.6 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -70.4 | 146.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 690 | G | 25.3 | Very low | 33 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 143.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 691 | L | 37.9 | Very low | 34.3 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 98% | 0.984 | 78% | 0.78 | S | S | * | * | trans | -79.8 | 122.3 | -173.7 | -66.3 | 167.5 | 0 | 0 | 0 | 111.7 | ||||
| 692 | S | 26.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -148.8 | 152.7 | 150.5 | -162.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 693 | M | 42.7 | Very low | 37.1 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -96.8 | 118.6 | 165.9 | -73.5 | -104.5 | 64.3 | 0 | 0 | 108.3 | ||||
| 694 | D | 27.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -164.5 | 153.6 | 148.3 | -103.7 | -54.7 | 0 | 0 | 0 | 105.9 | ||||
| 695 | G | 43.2 | Very low | 42 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | cis | 138.7 | -12.8 | 14.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 696 | E | 35.9 | Very low | 44.7 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -100.3 | 109.7 | 179.8 | -157.4 | -177.9 | 119.4 | 0 | 0 | 111.7 | A698 | E696-A698 PolarHBondContact O-N 2.83Š| ||
| 697 | E | 31.2 | Very low | 47.5 | Very low | 169 Ų | 169 | 106.4 Ų | 106.4 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118.6 | 163.6 | 179.7 | 164.7 | 110.3 | 0 | 0 | 108.4 | P699 | E697-P699 WeakPolarHBondContact O-CD 3.45Š|
| 698 | A | 34.2 | Very low | 50.5 | Low | 87 Ų | 87 | 105.5 Ų | 105.5 | 72% | 0.719 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 117.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | E696 A700 | E696-A698 PolarHBondContact O-N 2.83Å; A698-A700 PolarHBondContact O-N 3.41Å |
| 699 | P | 33.4 | Very low | 53.4 | Low | 88 Ų | 88 | 101 Ų | 101 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.6 | -154.8 | 15.8 | -30.3 | 0 | 0 | 0 | 112.2 | E697 | E697-P699 WeakPolarHBondContact O-CD 3.45Š|
| 700 | A | 39 | Very low | 56.5 | Low | 70 Ų | 70 | 100.7 Ų | 100.7 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 144.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | A698 E702 | A698-A700 PolarHBondContact O-N 3.41Å; A700-E702 PolarHBondContact O-N 2.88Å |
| 701 | P | 52.8 | Low | 59.7 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 58% | 0.575 | S | S | * | * | trans | -59.3 | 102.5 | -174.1 | 25.3 | -34.7 | 0 | 0 | 0 | 109.6 | D703 | P701-D703 PolarHBondContact O-N 3.23Š| ||
| 702 | E | 57.3 | Low | 62.3 | Low | 111 Ų | 111 | 91.6 Ų | 91.6 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | trans | -57 | 135.5 | -171.8 | -62.5 | 172.3 | 150.4 | 0 | 0 | 110 | A700 V704 W707 | A700-E702 PolarHBondContact O-N 2.88Å; E702-V704 PolarHBondContact O-N 3.29Å; E702-W707 PolarHBondContact OE2-NE1 3.37Å | ||
| 703 | D | 74.7 | Confident | 65.5 | Low | 89 Ų | 89 | 86.5 Ų | 86.5 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | trans | -57.7 | 115.6 | 174.9 | -54.1 | -70.9 | 0 | 0 | 0 | 107.7 | P701 T705 K706 | P701-D703 PolarHBondContact O-N 3.23Å; D703-T705 PolarHBondContact O-N 3.1Å; D703-K706 HydrophobicContact CB-CD 4.07Å; D703-K706 HydrophobicContact CB-CG 4.29Å; D703-K706 WeakPolarHBondContact O-CB 3.35Å; D703-K706 PolarHBondContact O-N 2.96Å; D703-K706 WeakPolarHBondContact OD2-CE 3.24Å; D703-K706 IonicContact OD2-NZ 2.67Å; D703-K706 PolarHBondContact OD2-NZ 3.14Å | ||
| 704 | V | 83.8 | Confident | 67.8 | Low | 6 Ų | 6 | 82.5 Ų | 82.5 | 4% | 0.036 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -54.5 | -28.6 | -173.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | E702 K706 W707 G736 L739 P740 R768 L769 | E702-V704 PolarHBondContact O-N 3.29Å; V704-K706 PolarHBondContact O-N 2.95Å; V704-W707 HydrophobicContact CG1-CD2 4.25Å; V704-W707 HydrophobicContact CG1-CE3 3.82Å; V704-W707 HydrophobicContact CG1-CZ3 4.15Å; V704-W707 WeakPolarHBondContact O-CB 3.41Å; V704-W707 PolarHBondContact O-N 2.98Å; V704-G736 CarbonylContact C-O 3.54Å; V704-G736 CarbonylContact O-C 3.56Å; V704-G736 WeakPolarHBondContact O-CA 3.49Å; V704-L739 HydrophobicContact CG1-CD2 4.21Å; V704-P740 HydrophobicContact CG1-CG 4.41Å; V704-R768 HydrophobicContact CG2-CB 3.69Å; V704-L769 HydrophobicContact CB-CD2 3.77Å; V704-L769 HydrophobicContact CB-CG 4.42Å; V704-L769 HydrophobicContact CG1-CD2 4.35Å; V704-L769 HydrophobicContact CG2-CD2 4.05Å; V704-L769 HydrophobicContact CG2-CG 4.3Å |
| 705 | T | 83.8 | Confident | 70.9 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -60.8 | -17.1 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | D703 G736 E737 | D703-T705 PolarHBondContact O-N 3.1Å; T705-G736 WeakPolarHBondContact CA-O 3.32Å; T705-E737 VanDerWaalsContact O-CG 3.31Å; T705-E737 WeakPolarHBondContact O-CG 3.42Å |
| 706 | K | 87 | Confident | 73.2 | Confident | 149 Ų | 149 | 72.6 Ų | 72.6 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -90.6 | -7 | 178.5 | -65.8 | 171.4 | 178.3 | 163 | 0 | 113.6 | D703 V704 | D703-K706 HydrophobicContact CB-CD 4.07Å; D703-K706 HydrophobicContact CB-CG 4.29Å; D703-K706 WeakPolarHBondContact O-CB 3.35Å; D703-K706 PolarHBondContact O-N 2.96Å; D703-K706 WeakPolarHBondContact OD2-CE 3.24Å; D703-K706 IonicContact OD2-NZ 2.67Å; D703-K706 PolarHBondContact OD2-NZ 3.14Å; V704-K706 PolarHBondContact O-N 2.95Å |
| 707 | W | 92.4 | Very high | 75.8 | Confident | 19 Ų | 19 | 66 Ų | 66 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | trans | -71 | 134.5 | -176.2 | -71.6 | -6.7 | 0 | 0 | 0 | 112.3 | E702 V704 D711 V712 F715 G736 L739 | E702-W707 PolarHBondContact OE2-NE1 3.37Å; V704-W707 HydrophobicContact CG1-CD2 4.25Å; V704-W707 HydrophobicContact CG1-CE3 3.82Å; V704-W707 HydrophobicContact CG1-CZ3 4.15Å; V704-W707 WeakPolarHBondContact O-CB 3.41Å; V704-W707 PolarHBondContact O-N 2.98Å; W707-D711 HydrophobicContact CB-CB 3.91Å; W707-D711 HydrophobicContact CG-CB 4.1Å; W707-V712 HydrophobicContact CB-CG2 4.15Å; W707-V712 HydrophobicContact CE3-CG2 4.27Å; W707-F715 HydrophobicContact CH2-CB 4.03Å; W707-F715 HydrophobicContact CH2-CD1 4.24Å; W707-F715 AromaticContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CE2 4.16Å; W707-F715 AromaticContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CZ3-CB 3.84Å; W707-F715 AromaticContact CZ3-CD1 3.67Å; W707-F715 HydrophobicContact CZ3-CD1 3.67Å; W707-F715 AromaticContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CE1 4.19Å; W707-F715 HydrophobicContact CZ3-CE2 4.46Å; W707-F715 AromaticContact CZ3-CG 3.54Å; W707-F715 HydrophobicContact CZ3-CG 3.54Å; W707-G736 WeakPolarHBondContact O-CA 3.45Å; W707-G736 PolarHBondContact O-N 3.21Å; W707-L739 HydrophobicContact CE3-CD2 4.03Å; W707-L739 HydrophobicContact CZ3-CD2 4.03Å | ||
| 708 | T | 91.6 | Very high | 78.6 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | trans | -76.7 | 168.6 | 169.1 | 71.3 | 0 | 0 | 0 | 0 | 111 | D710 D711 V712 | T708-D710 PolarHBondContact O-N 3.39Å; T708-D710 PolarHBondContact OG1-N 3.22Å; T708-D711 VanDerWaalsContact CB-OD2 3.31Å; T708-D711 WeakPolarHBondContact CB-OD2 3.4Å; T708-D711 WeakPolarHBondContact CG2-OD2 3.48Å; T708-D711 PolarHBondContact N-OD2 3.3Å; T708-D711 PolarHBondContact O-N 2.99Å; T708-D711 VanDerWaalsContact O-N 3.08Å; T708-D711 VanDerWaalsContact OG1-CG 3.29Å; T708-D711 PolarHBondContact OG1-N 2.95Å; T708-D711 PolarHBondContact OG1-OD2 3.34Å; T708-V712 WeakPolarHBondContact O-CG2 2.97Å; T708-V712 PolarHBondContact O-N 3.46Å | ||
| 709 | V | 93.1 | Very high | 81.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.5 | -33.5 | 173.6 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | C713 G733 I734 D735 | V709-C713 WeakPolarHBondContact O-CB 3.44Å; V709-C713 PolarHBondContact O-N 3.49Å; V709-C713 PolarHBondContact O-SG 3.46Å; V709-G733 WeakPolarHBondContact CG2-O 3.25Å; V709-I734 WeakPolarHBondContact CA-O 3.46Å; V709-D735 HydrophobicContact CG2-CB 4.19Å |
| 710 | D | 93.6 | Very high | 83.8 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71 | -35.8 | 176.7 | -86.2 | -83.4 | 0 | 0 | 0 | 112.9 | T708 C713 S714 R730 | T708-D710 PolarHBondContact O-N 3.39Å; T708-D710 PolarHBondContact OG1-N 3.22Å; D710-C713 PolarHBondContact O-N 3.16Å; D710-S714 WeakPolarHBondContact O-CB 3.42Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 PolarHBondContact O-OG 3.34Å; D710-R730 IonicContact OD1-CZ 2.98Å; D710-R730 IonicContact OD1-NH1 2.71Å; D710-R730 PolarHBondContact OD1-NH1 3.5Å; D710-R730 IonicContact OD1-NH2 2.82Å; D710-R730 PolarHBondContact OD1-NH2 3.03Å; D710-R730 IonicContact OD2-CZ 2.68Å; D710-R730 IonicContact OD2-NH1 2.58Å; D710-R730 PolarHBondContact OD2-NH1 3.29Å |
| 711 | D | 92.6 | Very high | 86 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 174.1 | -55.3 | -53.3 | 0 | 0 | 0 | 111 | W707 T708 C713 S714 F715 | W707-D711 HydrophobicContact CB-CB 3.91Å; W707-D711 HydrophobicContact CG-CB 4.1Å; T708-D711 VanDerWaalsContact CB-OD2 3.31Å; T708-D711 WeakPolarHBondContact CB-OD2 3.4Å; T708-D711 WeakPolarHBondContact CG2-OD2 3.48Å; T708-D711 PolarHBondContact N-OD2 3.3Å; T708-D711 PolarHBondContact O-N 2.99Å; T708-D711 VanDerWaalsContact O-N 3.08Å; T708-D711 VanDerWaalsContact OG1-CG 3.29Å; T708-D711 PolarHBondContact OG1-N 2.95Å; T708-D711 PolarHBondContact OG1-OD2 3.34Å; D711-C713 PolarHBondContact O-N 3.13Å; D711-S714 PolarHBondContact O-N 2.8Å; D711-F715 VanDerWaalsContact O-CB 3.28Å; D711-F715 WeakPolarHBondContact O-CB 3.17Å; D711-F715 PolarHBondContact O-N 3.22Å |
| 712 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | W707 T708 F715 V716 F729 I734 L739 | W707-V712 HydrophobicContact CB-CG2 4.15Å; W707-V712 HydrophobicContact CE3-CG2 4.27Å; T708-V712 WeakPolarHBondContact O-CG2 2.97Å; T708-V712 PolarHBondContact O-N 3.46Å; V712-F715 PolarHBondContact O-N 2.9Å; V712-V716 WeakPolarHBondContact O-CG2 3.17Å; V712-V716 PolarHBondContact O-N 2.97Å; V712-F729 HydrophobicContact CG1-CD1 3.81Å; V712-I734 WeakPolarHBondContact CB-O 3.45Å; V712-I734 HydrophobicContact CG1-CB 4.45Å; V712-I734 HydrophobicContact CG1-CG2 4.08Å; V712-L739 HydrophobicContact CG1-CD1 4.24Å; V712-L739 HydrophobicContact CG1-CD2 4.08Å; V712-L739 HydrophobicContact CG2-CB 4.47Å; V712-L739 HydrophobicContact CG2-CD2 3.99Å |
| 713 | C | 92.6 | Very high | 89 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -72.6 | 0 | 0 | 0 | 0 | 112 | V709 D710 D711 V716 G717 T726 | V709-C713 WeakPolarHBondContact O-CB 3.44Å; V709-C713 PolarHBondContact O-N 3.49Å; V709-C713 PolarHBondContact O-SG 3.46Å; D710-C713 PolarHBondContact O-N 3.16Å; D711-C713 PolarHBondContact O-N 3.13Å; C713-V716 PolarHBondContact O-N 3.22Å; C713-G717 PolarHBondContact O-N 2.89Å; C713-T726 VanDerWaalsContact O-CG2 3.29Å; C713-T726 WeakPolarHBondContact O-CG2 3.36Å; C713-T726 PolarHBondContact SG-O 3.22Å |
| 714 | S | 92 | Very high | 89.7 | Confident | 83 Ų | 83 | 50 Ų | 50 | 58% | 0.58 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | D710 D711 G717 G718 | D710-S714 WeakPolarHBondContact O-CB 3.42Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 PolarHBondContact O-OG 3.34Å; D711-S714 PolarHBondContact O-N 2.8Å; S714-G717 PolarHBondContact O-N 3.47Å; S714-G718 PolarHBondContact O-N 3.21Å |
| 715 | F | 91.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 174.2 | 165.9 | -107.8 | 0 | 0 | 0 | 112.9 | W707 D711 V712 G717 G718 L719 L739 Q764 V765 | W707-F715 HydrophobicContact CH2-CB 4.03Å; W707-F715 HydrophobicContact CH2-CD1 4.24Å; W707-F715 AromaticContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CE2 4.16Å; W707-F715 AromaticContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CZ3-CB 3.84Å; W707-F715 AromaticContact CZ3-CD1 3.67Å; W707-F715 HydrophobicContact CZ3-CD1 3.67Å; W707-F715 AromaticContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CE1 4.19Å; W707-F715 HydrophobicContact CZ3-CE2 4.46Å; W707-F715 AromaticContact CZ3-CG 3.54Å; W707-F715 HydrophobicContact CZ3-CG 3.54Å; D711-F715 VanDerWaalsContact O-CB 3.28Å; D711-F715 WeakPolarHBondContact O-CB 3.17Å; D711-F715 PolarHBondContact O-N 3.22Å; V712-F715 PolarHBondContact O-N 2.9Å; F715-G717 VanDerWaalsContact C-N 3.31Å; F715-G718 PolarHBondContact O-N 2.85Å; F715-L719 HydrophobicContact CE1-CD1 4.36Å; F715-L719 HydrophobicContact CZ-CD1 4.18Å; F715-L739 HydrophobicContact CD1-CD2 4.22Å; F715-L739 HydrophobicContact CE1-CD2 4.24Å; F715-Q764 HydrophobicContact CE2-CB 4.32Å; F715-Q764 HydrophobicContact CE2-CG 3.45Å; F715-Q764 VanDerWaalsContact CE2-CG 3.45Å; F715-Q764 HydrophobicContact CZ-CB 3.84Å; F715-Q764 HydrophobicContact CZ-CG 3.48Å; F715-Q764 VanDerWaalsContact CZ-CG 3.48Å; F715-V765 HydrophobicContact CE1-CG2 3.68Å; F715-V765 HydrophobicContact CZ-CG2 4.04Å |
| 716 | V | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -34.4 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111 | V712 C713 L719 C722 T726 F729 I761 | V712-V716 WeakPolarHBondContact O-CG2 3.17Å; V712-V716 PolarHBondContact O-N 2.97Å; C713-V716 PolarHBondContact O-N 3.22Å; V716-L719 PolarHBondContact O-N 3.05Å; V716-C722 HydrophobicContact CG1-CB 4.2Å; V716-C722 WeakPolarHBondContact O-CB 3.48Å; V716-T726 HydrophobicContact CB-CG2 4.15Å; V716-T726 HydrophobicContact CG1-CG2 3.96Å; V716-F729 HydrophobicContact CG1-CD2 4.23Å; V716-F729 HydrophobicContact CG1-CE2 4.33Å; V716-F729 HydrophobicContact CG2-CD1 4.16Å; V716-F729 HydrophobicContact CG2-CD2 4.35Å; V716-F729 HydrophobicContact CG2-CE1 4.18Å; V716-F729 HydrophobicContact CG2-CE2 4.36Å; V716-F729 HydrophobicContact CG2-CG 4.26Å; V716-F729 HydrophobicContact CG2-CZ 4.28Å; V716-I761 HydrophobicContact CG1-CD1 3.96Å; V716-I761 HydrophobicContact CG2-CD1 4.27Å; V716-I761 HydrophobicContact CG2-CG1 4.49Å; V716-I761 HydrophobicContact CG2-CG2 4.47Å |
| 717 | G | 90.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C713 S714 F715 L719 T726 | C713-G717 PolarHBondContact O-N 2.89Å; S714-G717 PolarHBondContact O-N 3.47Å; F715-G717 VanDerWaalsContact C-N 3.31Å; G717-L719 PolarHBondContact O-N 3.06Å; G717-T726 VanDerWaalsContact N-CG2 3.26Å |
| 718 | G | 89.4 | Confident | 90.4 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S714 F715 | S714-G718 PolarHBondContact O-N 3.21Å; F715-G718 PolarHBondContact O-N 2.85Å |
| 719 | L | 90.7 | Very high | 90.4 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -93.7 | 128.5 | 177.6 | -71.6 | 174.5 | 0 | 0 | 0 | 111.9 | F715 V716 G717 G721 C722 I761 Q764 | F715-L719 HydrophobicContact CE1-CD1 4.36Å; F715-L719 HydrophobicContact CZ-CD1 4.18Å; V716-L719 PolarHBondContact O-N 3.05Å; G717-L719 PolarHBondContact O-N 3.06Å; L719-G721 PolarHBondContact O-N 3.28Å; L719-C722 HydrophobicContact CB-CB 3.7Å; L719-C722 WeakPolarHBondContact O-CB 3.41Å; L719-C722 PolarHBondContact O-N 2.82Å; L719-I761 HydrophobicContact CD1-CG1 3.92Å; L719-Q764 HydrophobicContact CD1-CB 4.3Å; L719-Q764 HydrophobicContact CD2-CB 4.33Å; L719-Q764 HydrophobicContact CD2-CG 4.07Å |
| 720 | S | 87.1 | Confident | 90.3 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 118.1 | -173.7 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | C722 K760 | S720-C722 VanDerWaalsContact C-N 3.34Å; S720-K760 PolarHBondContact O-NZ 2.74Å |
| 721 | G | 84.4 | Confident | 90.2 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 27.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | L719 | L719-G721 PolarHBondContact O-N 3.28Š|
| 722 | C | 86.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -11.7 | 172 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | V716 L719 S720 E724 Y725 I761 | V716-C722 HydrophobicContact CG1-CB 4.2Å; V716-C722 WeakPolarHBondContact O-CB 3.48Å; L719-C722 HydrophobicContact CB-CB 3.7Å; L719-C722 WeakPolarHBondContact O-CB 3.41Å; L719-C722 PolarHBondContact O-N 2.82Å; S720-C722 VanDerWaalsContact C-N 3.34Å; C722-E724 PolarHBondContact O-N 2.82Å; C722-E724 VanDerWaalsContact O-N 3.15Å; C722-Y725 PolarHBondContact O-N 3.18Å; C722-I761 HydrophobicContact CB-CD1 4.45Å |
| 723 | G | 86.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -52.1 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y725 T726 | G723-Y725 PolarHBondContact O-N 3.22Å; G723-Y725 VanDerWaalsContact O-N 3.13Å; G723-T726 WeakPolarHBondContact O-CG2 3.45Å; G723-T726 PolarHBondContact O-N 3.39Å; G723-T726 PolarHBondContact O-OG1 3.11Å |
| 724 | E | 88.1 | Confident | 89.9 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -47.6 | -38.3 | 172.2 | -67.8 | 167.1 | -112.4 | 0 | 0 | 112.6 | C722 K754 | C722-E724 PolarHBondContact O-N 2.82Å; C722-E724 VanDerWaalsContact O-N 3.15Å; E724-K754 IonicContact OE2-NZ 3.82Å; E724-K754 PolarHBondContact OE2-NZ 2.97Å; E724-K754 VanDerWaalsContact OE2-NZ 3.12Å |
| 725 | Y | 88.8 | Confident | 89.9 | Confident | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -93 | -8.2 | -170.3 | -55.7 | -75.2 | 0 | 0 | 0 | 113.7 | C722 G723 R727 V728 F729 L753 K754 P757 | C722-Y725 PolarHBondContact O-N 3.18Å; G723-Y725 PolarHBondContact O-N 3.22Å; G723-Y725 VanDerWaalsContact O-N 3.13Å; Y725-R727 PolarHBondContact O-N 2.78Å; Y725-V728 WeakPolarHBondContact O-CA 3.41Å; Y725-V728 WeakPolarHBondContact O-CB 3.32Å; Y725-V728 PolarHBondContact O-N 3.37Å; Y725-F729 WeakPolarHBondContact O-CD2 3.42Å; Y725-F729 PolarHBondContact O-N 3.29Å; Y725-F729 VanDerWaalsContact O-N 3.09Å; Y725-L753 HydrophobicContact CD1-CD1 3.73Å; Y725-L753 HydrophobicContact CD1-CG 3.61Å; Y725-L753 HydrophobicContact CD2-CG 4.24Å; Y725-L753 HydrophobicContact CE1-CB 4.39Å; Y725-L753 HydrophobicContact CE1-CD1 4.35Å; Y725-L753 HydrophobicContact CE1-CG 3.93Å; Y725-L753 HydrophobicContact CG-CD1 4.09Å; Y725-L753 HydrophobicContact CG-CD2 4.32Å; Y725-L753 HydrophobicContact CG-CG 3.77Å; Y725-K754 VanDerWaalsContact OH-CD 3.27Å; Y725-K754 WeakPolarHBondContact OH-CD 3.42Å; Y725-K754 WeakPolarHBondContact OH-CE 3.35Å; Y725-K754 WeakPolarHBondContact OH-CG 3.49Å; Y725-K754 PolarHBondContact OH-NZ 3.24Å; Y725-P757 HydrophobicContact CD2-CB 4.01Å; Y725-P757 HydrophobicContact CD2-CG 4.41Å; Y725-P757 HydrophobicContact CE2-CB 3.66Å; Y725-P757 HydrophobicContact CE2-CG 3.63Å |
| 726 | T | 91.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.239 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.7 | -38.7 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | C713 V716 G717 G723 V728 F729 R730 | C713-T726 VanDerWaalsContact O-CG2 3.29Å; C713-T726 WeakPolarHBondContact O-CG2 3.36Å; C713-T726 PolarHBondContact SG-O 3.22Å; V716-T726 HydrophobicContact CB-CG2 4.15Å; V716-T726 HydrophobicContact CG1-CG2 3.96Å; G717-T726 VanDerWaalsContact N-CG2 3.26Å; G723-T726 WeakPolarHBondContact O-CG2 3.45Å; G723-T726 PolarHBondContact O-N 3.39Å; G723-T726 PolarHBondContact O-OG1 3.11Å; T726-V728 VanDerWaalsContact C-N 3.33Å; T726-V728 PolarHBondContact O-N 3.34Å; T726-F729 PolarHBondContact O-N 3.01Å; T726-R730 PolarHBondContact O-N 2.87Å |
| 727 | R | 90.5 | Very high | 89.5 | Confident | 168 Ų | 168 | 60.2 Ų | 60.2 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 173.2 | 179.6 | 176.4 | 169.1 | 168.7 | 1.3 | 112.4 | Y725 R730 E731 | Y725-R727 PolarHBondContact O-N 2.78Å; R727-R730 WeakPolarHBondContact O-CB 3.47Å; R727-R730 PolarHBondContact O-N 3.38Å; R727-E731 HydrophobicContact CG-CG 4.3Å; R727-E731 IonicContact CZ-OE1 2.98Å; R727-E731 IonicContact NE-OE1 2.71Å; R727-E731 PolarHBondContact NE-OE1 3.18Å; R727-E731 IonicContact NE-OE2 3.95Å; R727-E731 IonicContact NH2-OE1 2.88Å; R727-E731 PolarHBondContact NH2-OE1 3.37Å; R727-E731 WeakPolarHBondContact O-CB 3.31Å; R727-E731 WeakPolarHBondContact O-CG 3.43Å; R727-E731 PolarHBondContact O-N 2.63Å |
| 728 | V | 91.3 | Very high | 89.4 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 179 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | Y725 T726 R730 E731 Q732 M751 | Y725-V728 WeakPolarHBondContact O-CA 3.41Å; Y725-V728 WeakPolarHBondContact O-CB 3.32Å; Y725-V728 PolarHBondContact O-N 3.37Å; T726-V728 VanDerWaalsContact C-N 3.33Å; T726-V728 PolarHBondContact O-N 3.34Å; V728-R730 VanDerWaalsContact C-N 3.29Å; V728-R730 PolarHBondContact O-N 3.38Å; V728-E731 PolarHBondContact O-N 3.05Å; V728-Q732 HydrophobicContact CG1-CG 4.27Å; V728-Q732 WeakPolarHBondContact O-CB 3.47Å; V728-Q732 VanDerWaalsContact O-CG 3.29Å; V728-Q732 WeakPolarHBondContact O-CG 3.45Å; V728-Q732 PolarHBondContact O-N 2.9Å; V728-M751 HydrophobicContact CG1-CB 3.85Å; V728-M751 HydrophobicContact CG1-CG 3.85Å |
| 729 | F | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 174.2 | -81.1 | -104 | 0 | 0 | 0 | 111.8 | V712 V716 Y725 T726 G733 I734 L739 L742 L747 M751 L753 I761 | V712-F729 HydrophobicContact CG1-CD1 3.81Å; V716-F729 HydrophobicContact CG1-CD2 4.23Å; V716-F729 HydrophobicContact CG1-CE2 4.33Å; V716-F729 HydrophobicContact CG2-CD1 4.16Å; V716-F729 HydrophobicContact CG2-CD2 4.35Å; V716-F729 HydrophobicContact CG2-CE1 4.18Å; V716-F729 HydrophobicContact CG2-CE2 4.36Å; V716-F729 HydrophobicContact CG2-CG 4.26Å; V716-F729 HydrophobicContact CG2-CZ 4.28Å; Y725-F729 WeakPolarHBondContact O-CD2 3.42Å; Y725-F729 PolarHBondContact O-N 3.29Å; Y725-F729 VanDerWaalsContact O-N 3.09Å; T726-F729 PolarHBondContact O-N 3.01Å; F729-G733 PolarHBondContact O-N 3.02Å; F729-I734 HydrophobicContact CB-CB 4.47Å; F729-I734 HydrophobicContact CD1-CB 3.82Å; F729-I734 HydrophobicContact CD1-CG1 3.92Å; F729-I734 HydrophobicContact CD1-CG2 3.83Å; F729-I734 HydrophobicContact CE1-CG2 4.23Å; F729-I734 HydrophobicContact CG-CG1 4.46Å; F729-I734 PolarHBondContact O-N 3.46Å; F729-L739 HydrophobicContact CD1-CD1 4.48Å; F729-L739 HydrophobicContact CE1-CD1 3.83Å; F729-L742 HydrophobicContact CE1-CD1 3.82Å; F729-L742 HydrophobicContact CZ-CD1 4.46Å; F729-L747 HydrophobicContact CE1-CD2 4.45Å; F729-L747 HydrophobicContact CE2-CD2 4.38Å; F729-L747 HydrophobicContact CZ-CD2 3.66Å; F729-M751 HydrophobicContact CE2-SD 4.29Å; F729-M751 HydrophobicContact CZ-SD 4.27Å; F729-L753 HydrophobicContact CE2-CD1 4.34Å; F729-L753 HydrophobicContact CE2-CD2 4.22Å; F729-I761 HydrophobicContact CE2-CD1 3.88Å; F729-I761 HydrophobicContact CZ-CD1 3.86Å; F729-I761 HydrophobicContact CZ-CG2 4.19Å |
| 730 | R | 92.3 | Very high | 89.2 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 46% | 0.457 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.8 | -46 | 173.2 | -168.9 | 177.1 | -67.6 | -86.6 | 1.3 | 112.8 | D710 T726 R727 V728 Q732 G733 | D710-R730 IonicContact OD1-CZ 2.98Å; D710-R730 IonicContact OD1-NH1 2.71Å; D710-R730 PolarHBondContact OD1-NH1 3.5Å; D710-R730 IonicContact OD1-NH2 2.82Å; D710-R730 PolarHBondContact OD1-NH2 3.03Å; D710-R730 IonicContact OD2-CZ 2.68Å; D710-R730 IonicContact OD2-NH1 2.58Å; D710-R730 PolarHBondContact OD2-NH1 3.29Å; T726-R730 PolarHBondContact O-N 2.87Å; R727-R730 WeakPolarHBondContact O-CB 3.47Å; R727-R730 PolarHBondContact O-N 3.38Å; V728-R730 VanDerWaalsContact C-N 3.29Å; V728-R730 PolarHBondContact O-N 3.38Å; R730-Q732 VanDerWaalsContact C-N 3.31Å; R730-Q732 PolarHBondContact O-N 3.44Å; R730-G733 PolarHBondContact O-N 2.76Å; R730-G733 VanDerWaalsContact O-N 3.1Å |
| 731 | E | 90.6 | Very high | 89.2 | Confident | 114 Ų | 114 | 60.6 Ų | 60.6 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -29.3 | -179.2 | -75.2 | 172.8 | 156.6 | 0 | 0 | 112.6 | R727 V728 | R727-E731 HydrophobicContact CG-CG 4.3Å; R727-E731 IonicContact CZ-OE1 2.98Å; R727-E731 IonicContact NE-OE1 2.71Å; R727-E731 PolarHBondContact NE-OE1 3.18Å; R727-E731 IonicContact NE-OE2 3.95Å; R727-E731 IonicContact NH2-OE1 2.88Å; R727-E731 PolarHBondContact NH2-OE1 3.37Å; R727-E731 WeakPolarHBondContact O-CB 3.31Å; R727-E731 WeakPolarHBondContact O-CG 3.43Å; R727-E731 PolarHBondContact O-N 2.63Å; V728-E731 PolarHBondContact O-N 3.05Å |
| 732 | Q | 90.5 | Very high | 89.4 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.8 | 172.2 | -63 | -65.7 | -32.2 | 0 | 0 | 113.4 | V728 R730 I734 M751 | V728-Q732 HydrophobicContact CG1-CG 4.27Å; V728-Q732 WeakPolarHBondContact O-CB 3.47Å; V728-Q732 VanDerWaalsContact O-CG 3.29Å; V728-Q732 WeakPolarHBondContact O-CG 3.45Å; V728-Q732 PolarHBondContact O-N 2.9Å; R730-Q732 VanDerWaalsContact C-N 3.31Å; R730-Q732 PolarHBondContact O-N 3.44Å; Q732-I734 VanDerWaalsContact C-N 3.31Å; Q732-I734 HydrophobicContact CB-CD1 3.87Å; Q732-I734 HydrophobicContact CB-CG1 3.94Å; Q732-I734 PolarHBondContact O-N 3.16Å; Q732-M751 HydrophobicContact CG-CG 4.14Å |
| 733 | G | 89.3 | Confident | 89.6 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V709 F729 R730 D735 | V709-G733 WeakPolarHBondContact CG2-O 3.25Å; F729-G733 PolarHBondContact O-N 3.02Å; R730-G733 PolarHBondContact O-N 2.76Å; R730-G733 VanDerWaalsContact O-N 3.1Å; G733-D735 PolarHBondContact O-N 3.01Å |
| 734 | I | 91.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | trans | -69.5 | 114 | -174.6 | -54.3 | -53.2 | 0 | 0 | 0 | 110.8 | V709 V712 F729 Q732 L739 L742 | V709-I734 WeakPolarHBondContact CA-O 3.46Å; V712-I734 WeakPolarHBondContact CB-O 3.45Å; V712-I734 HydrophobicContact CG1-CB 4.45Å; V712-I734 HydrophobicContact CG1-CG2 4.08Å; F729-I734 HydrophobicContact CB-CB 4.47Å; F729-I734 HydrophobicContact CD1-CB 3.82Å; F729-I734 HydrophobicContact CD1-CG1 3.92Å; F729-I734 HydrophobicContact CD1-CG2 3.83Å; F729-I734 HydrophobicContact CE1-CG2 4.23Å; F729-I734 HydrophobicContact CG-CG1 4.46Å; F729-I734 PolarHBondContact O-N 3.46Å; Q732-I734 VanDerWaalsContact C-N 3.31Å; Q732-I734 HydrophobicContact CB-CD1 3.87Å; Q732-I734 HydrophobicContact CB-CG1 3.94Å; Q732-I734 PolarHBondContact O-N 3.16Å; I734-L739 HydrophobicContact CG2-CB 3.97Å; I734-L739 HydrophobicContact CG2-CD1 4.37Å; I734-L742 HydrophobicContact CD1-CD2 4.04Å; I734-L742 HydrophobicContact CG1-CD1 4.48Å; I734-L742 HydrophobicContact CG2-CD1 3.84Å | ||
| 735 | D | 92.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | trans | -99 | -176.9 | 174.9 | 66.2 | 9.4 | 0 | 0 | 0 | 112.6 | V709 G733 E737 T738 L739 | V709-D735 HydrophobicContact CG2-CB 4.19Å; G733-D735 PolarHBondContact O-N 3.01Å; D735-E737 VanDerWaalsContact C-N 3.3Å; D735-E737 PolarHBondContact O-N 3.03Å; D735-E737 PolarHBondContact OD1-N 3.14Å; D735-T738 PolarHBondContact N-OG1 3.29Å; D735-T738 VanDerWaalsContact N-OG1 3.09Å; D735-T738 PolarHBondContact O-OG1 3.09Å; D735-T738 VanDerWaalsContact OD1-CB 3.29Å; D735-T738 WeakPolarHBondContact OD1-CB 3.15Å; D735-T738 WeakPolarHBondContact OD1-CG2 3.33Å; D735-T738 PolarHBondContact OD1-N 3.47Å; D735-T738 PolarHBondContact OD1-OG1 3.21Å; D735-L739 WeakPolarHBondContact O-CB 3.24Å; D735-L739 PolarHBondContact O-N 2.66Å | ||
| 736 | G | 88.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V704 T705 W707 P740 | V704-G736 CarbonylContact C-O 3.54Å; V704-G736 CarbonylContact O-C 3.56Å; V704-G736 WeakPolarHBondContact O-CA 3.49Å; T705-G736 WeakPolarHBondContact CA-O 3.32Å; W707-G736 WeakPolarHBondContact O-CA 3.45Å; W707-G736 PolarHBondContact O-N 3.21Å; G736-P740 WeakPolarHBondContact O-CD 3.43Å; G736-P740 WeakPolarHBondContact O-CG 3.38Å |
| 737 | E | 86.4 | Confident | 89.7 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -33.9 | 179.2 | -59.8 | -160 | 156.3 | 0 | 0 | 111.8 | T705 D735 P740 | T705-E737 VanDerWaalsContact O-CG 3.31Å; T705-E737 WeakPolarHBondContact O-CG 3.42Å; D735-E737 VanDerWaalsContact C-N 3.3Å; D735-E737 PolarHBondContact O-N 3.03Å; D735-E737 PolarHBondContact OD1-N 3.14Å; E737-P740 WeakPolarHBondContact O-CD 3.23Å |
| 738 | T | 87.9 | Confident | 89.8 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 31% | 0.307 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -34.1 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | D735 P740 L741 L742 | D735-T738 PolarHBondContact N-OG1 3.29Å; D735-T738 VanDerWaalsContact N-OG1 3.09Å; D735-T738 PolarHBondContact O-OG1 3.09Å; D735-T738 VanDerWaalsContact OD1-CB 3.29Å; D735-T738 WeakPolarHBondContact OD1-CB 3.15Å; D735-T738 WeakPolarHBondContact OD1-CG2 3.33Å; D735-T738 PolarHBondContact OD1-N 3.47Å; D735-T738 PolarHBondContact OD1-OG1 3.21Å; T738-P740 VanDerWaalsContact C-CD 3.46Å; T738-P740 VanDerWaalsContact C-N 3.34Å; T738-L741 WeakPolarHBondContact O-CA 3.45Å; T738-L741 WeakPolarHBondContact O-CB 3.43Å; T738-L741 PolarHBondContact O-N 3.28Å; T738-L742 WeakPolarHBondContact O-CG 3.22Å; T738-L742 PolarHBondContact O-N 3.27Å |
| 739 | L | 89.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -51 | -39.5 | 178.4 | 176.9 | 67.3 | 0 | 0 | 0 | 114.6 | V704 W707 V712 F715 F729 I734 D735 L741 L742 I761 V765 | V704-L739 HydrophobicContact CG1-CD2 4.21Å; W707-L739 HydrophobicContact CE3-CD2 4.03Å; W707-L739 HydrophobicContact CZ3-CD2 4.03Å; V712-L739 HydrophobicContact CG1-CD1 4.24Å; V712-L739 HydrophobicContact CG1-CD2 4.08Å; V712-L739 HydrophobicContact CG2-CB 4.47Å; V712-L739 HydrophobicContact CG2-CD2 3.99Å; F715-L739 HydrophobicContact CD1-CD2 4.22Å; F715-L739 HydrophobicContact CE1-CD2 4.24Å; F729-L739 HydrophobicContact CD1-CD1 4.48Å; F729-L739 HydrophobicContact CE1-CD1 3.83Å; I734-L739 HydrophobicContact CG2-CB 3.97Å; I734-L739 HydrophobicContact CG2-CD1 4.37Å; D735-L739 WeakPolarHBondContact O-CB 3.24Å; D735-L739 PolarHBondContact O-N 2.66Å; L739-L741 VanDerWaalsContact C-N 3.32Å; L739-L741 PolarHBondContact O-N 3Å; L739-L742 HydrophobicContact CD1-CD1 4.04Å; L739-I761 HydrophobicContact CD1-CG2 4.29Å; L739-V765 HydrophobicContact CD1-CG2 3.88Å; L739-V765 HydrophobicContact CD2-CG2 3.81Å; L739-V765 HydrophobicContact CG-CG1 4.33Å; L739-V765 HydrophobicContact CG-CG2 3.72Å |
| 740 | P | 88.1 | Confident | 89.3 | Confident | 47 Ų | 47 | 68 Ų | 68 | 31% | 0.305 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -65.4 | -26.8 | 171.7 | -25.2 | 36.2 | 0 | 0 | 0 | 115.3 | V704 G736 E737 T738 L769 | V704-P740 HydrophobicContact CG1-CG 4.41Å; G736-P740 WeakPolarHBondContact O-CD 3.43Å; G736-P740 WeakPolarHBondContact O-CG 3.38Å; E737-P740 WeakPolarHBondContact O-CD 3.23Å; T738-P740 VanDerWaalsContact C-CD 3.46Å; T738-P740 VanDerWaalsContact C-N 3.34Å; P740-L769 HydrophobicContact CB-CD1 3.72Å; P740-L769 HydrophobicContact CG-CD1 3.95Å; P740-L769 HydrophobicContact CG-CD2 4.14Å |
| 741 | L | 87.4 | Confident | 89 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -87.4 | -13.9 | -172.9 | -54.9 | 177.4 | 0 | 0 | 0 | 112.8 | T738 L739 T743 | T738-L741 WeakPolarHBondContact O-CA 3.45Å; T738-L741 WeakPolarHBondContact O-CB 3.43Å; T738-L741 PolarHBondContact O-N 3.28Å; L739-L741 VanDerWaalsContact C-N 3.32Å; L739-L741 PolarHBondContact O-N 3Å; L741-T743 PolarHBondContact O-N 3.32Å; L741-T743 VanDerWaalsContact O-N 3.17Å |
| 742 | L | 88.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | trans | -66 | 113.9 | -176.4 | -49.1 | 178.4 | 0 | 0 | 0 | 111.5 | F729 I734 T738 L739 L747 M751 | F729-L742 HydrophobicContact CE1-CD1 3.82Å; F729-L742 HydrophobicContact CZ-CD1 4.46Å; I734-L742 HydrophobicContact CD1-CD2 4.04Å; I734-L742 HydrophobicContact CG1-CD1 4.48Å; I734-L742 HydrophobicContact CG2-CD1 3.84Å; T738-L742 WeakPolarHBondContact O-CG 3.22Å; T738-L742 PolarHBondContact O-N 3.27Å; L739-L742 HydrophobicContact CD1-CD1 4.04Å; L742-L747 HydrophobicContact CB-CD2 4.48Å; L742-L747 HydrophobicContact CB-CG 4.31Å; L742-L747 HydrophobicContact CD1-CD2 4.19Å; L742-M751 HydrophobicContact CD1-CE 4.07Å; L742-M751 HydrophobicContact CD2-CE 4.18Å | ||
| 743 | T | 89.1 | Confident | 88.9 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | trans | -72.6 | 163.5 | 176.3 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | L741 E745 H746 L747 | L741-T743 PolarHBondContact O-N 3.32Å; L741-T743 VanDerWaalsContact O-N 3.17Å; T743-E745 VanDerWaalsContact C-N 3.31Å; T743-E745 PolarHBondContact O-N 2.98Å; T743-H746 PolarHBondContact O-N 3.2Å; T743-H746 VanDerWaalsContact OG1-CB 3.3Å; T743-H746 WeakPolarHBondContact OG1-CB 3.47Å; T743-H746 PolarHBondContact OG1-N 3.09Å; T743-L747 PolarHBondContact O-N 2.85Å; T743-L747 VanDerWaalsContact O-N 3.16Å | ||
| 744 | E | 89.8 | Confident | 89 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 173.9 | -159.7 | 166.8 | 141.7 | 0 | 0 | 111.4 | H746 L747 L748 L759 R762 | E744-H746 PolarHBondContact O-N 3.28Å; E744-L747 PolarHBondContact O-N 3.47Å; E744-L748 HydrophobicContact CG-CD1 4.19Å; E744-L748 WeakPolarHBondContact O-CB 3.34Å; E744-L748 WeakPolarHBondContact O-CG 3.33Å; E744-L748 PolarHBondContact O-N 3.06Å; E744-L759 HydrophobicContact CG-CD2 4.39Å; E744-R762 IonicContact OE2-CZ 2.61Å; E744-R762 IonicContact OE2-NH1 3.19Å; E744-R762 PolarHBondContact OE2-NH1 2.67Å; E744-R762 IonicContact OE2-NH2 3.54Å |
| 745 | E | 88.1 | Confident | 88.9 | Confident | 139 Ų | 139 | 63 Ų | 63 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 175.5 | -178.1 | 171.6 | -157.5 | 0 | 0 | 112.3 | T743 L748 T749 | T743-E745 VanDerWaalsContact C-N 3.31Å; T743-E745 PolarHBondContact O-N 2.98Å; E745-L748 PolarHBondContact O-N 3.01Å; E745-T749 WeakPolarHBondContact O-CB 3.48Å; E745-T749 PolarHBondContact O-N 2.99Å; E745-T749 PolarHBondContact O-OG1 2.93Å |
| 746 | H | 89.4 | Confident | 88.7 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 26% | 0.259 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -67.1 | -39.9 | 180 | -172.8 | 60 | 0 | 0 | 0 | 112.4 | T743 E744 N750 M751 | T743-H746 PolarHBondContact O-N 3.2Å; T743-H746 VanDerWaalsContact OG1-CB 3.3Å; T743-H746 WeakPolarHBondContact OG1-CB 3.47Å; T743-H746 PolarHBondContact OG1-N 3.09Å; E744-H746 PolarHBondContact O-N 3.28Å; H746-N750 WeakPolarHBondContact ND1-CB 3.27Å; H746-N750 PolarHBondContact ND1-OD1 3.31Å; H746-N750 WeakPolarHBondContact O-CB 3.34Å; H746-N750 PolarHBondContact O-N 3.01Å; H746-M751 WeakPolarHBondContact CD2-CE 3.3Å; H746-M751 WeakPolarHBondContact NE2-CE 3.42Å; H746-M751 PolarHBondContact O-N 3.19Å; H746-M751 VanDerWaalsContact O-N 3.15Å |
| 747 | L | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -64.9 | -42.5 | 173.8 | -70 | 162.2 | 0 | 0 | 0 | 112.2 | F729 L742 T743 E744 M751 G752 L753 A758 R762 | F729-L747 HydrophobicContact CE1-CD2 4.45Å; F729-L747 HydrophobicContact CE2-CD2 4.38Å; F729-L747 HydrophobicContact CZ-CD2 3.66Å; L742-L747 HydrophobicContact CB-CD2 4.48Å; L742-L747 HydrophobicContact CB-CG 4.31Å; L742-L747 HydrophobicContact CD1-CD2 4.19Å; T743-L747 PolarHBondContact O-N 2.85Å; T743-L747 VanDerWaalsContact O-N 3.16Å; E744-L747 PolarHBondContact O-N 3.47Å; L747-M751 HydrophobicContact CD2-CE 3.69Å; L747-M751 HydrophobicContact CD2-SD 3.9Å; L747-M751 HydrophobicContact CG-CE 4.21Å; L747-G752 PolarHBondContact O-N 3.06Å; L747-L753 HydrophobicContact CD2-CD2 4.12Å; L747-L753 WeakPolarHBondContact O-CB 3.4Å; L747-L753 PolarHBondContact O-N 2.98Å; L747-A758 HydrophobicContact CB-CB 3.86Å; L747-A758 HydrophobicContact CD1-CB 4.26Å; L747-R762 VanDerWaalsContact CD1-CD 3.41Å; L747-R762 HydrophobicContact CD1-CG 3.55Å |
| 748 | L | 91.1 | Very high | 89.1 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -71.5 | -48.8 | -179.6 | -69.3 | 171.3 | 0 | 0 | 0 | 112.4 | E744 E745 G752 L753 L755 A758 | E744-L748 HydrophobicContact CG-CD1 4.19Å; E744-L748 WeakPolarHBondContact O-CB 3.34Å; E744-L748 WeakPolarHBondContact O-CG 3.33Å; E744-L748 PolarHBondContact O-N 3.06Å; E745-L748 PolarHBondContact O-N 3.01Å; L748-G752 VanDerWaalsContact O-CA 3.3Å; L748-G752 WeakPolarHBondContact O-CA 3.3Å; L748-G752 PolarHBondContact O-N 3.22Å; L748-L753 WeakPolarHBondContact CD2-O 3.48Å; L748-L755 HydrophobicContact CD1-CD1 4.13Å; L748-L755 HydrophobicContact CD2-CB 4.12Å; L748-L755 HydrophobicContact CD2-CD1 4.12Å; L748-A758 HydrophobicContact CD2-CB 4.33Å |
| 749 | T | 86.8 | Confident | 89.3 | Confident | 103 Ų | 103 | 58 Ų | 58 | 63% | 0.632 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -93.7 | -44.5 | -166.1 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | E745 | E745-T749 WeakPolarHBondContact O-CB 3.48Å; E745-T749 PolarHBondContact O-N 2.99Å; E745-T749 PolarHBondContact O-OG1 2.93Å |
| 750 | N | 86.1 | Confident | 89.4 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -87.4 | -38.7 | -178.1 | -61 | 97 | 0 | 0 | 0 | 112.4 | H746 | H746-N750 WeakPolarHBondContact ND1-CB 3.27Å; H746-N750 PolarHBondContact ND1-OD1 3.31Å; H746-N750 WeakPolarHBondContact O-CB 3.34Å; H746-N750 PolarHBondContact O-N 3.01Å |
| 751 | M | 86.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -95.7 | -6.8 | 178.6 | -73.3 | 175.3 | -103.7 | 0 | 0 | 114.2 | V728 F729 Q732 L742 H746 L747 L753 | V728-M751 HydrophobicContact CG1-CB 3.85Å; V728-M751 HydrophobicContact CG1-CG 3.85Å; F729-M751 HydrophobicContact CE2-SD 4.29Å; F729-M751 HydrophobicContact CZ-SD 4.27Å; Q732-M751 HydrophobicContact CG-CG 4.14Å; L742-M751 HydrophobicContact CD1-CE 4.07Å; L742-M751 HydrophobicContact CD2-CE 4.18Å; H746-M751 WeakPolarHBondContact CD2-CE 3.3Å; H746-M751 WeakPolarHBondContact NE2-CE 3.42Å; H746-M751 PolarHBondContact O-N 3.19Å; H746-M751 VanDerWaalsContact O-N 3.15Å; L747-M751 HydrophobicContact CD2-CE 3.69Å; L747-M751 HydrophobicContact CD2-SD 3.9Å; L747-M751 HydrophobicContact CG-CE 4.21Å; M751-L753 VanDerWaalsContact C-N 3.28Å; M751-L753 HydrophobicContact CB-CD1 3.51Å; M751-L753 PolarHBondContact O-N 2.8Å |
| 752 | G | 87.5 | Confident | 89.6 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | trans | 66.6 | 22.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L747 L748 | L747-G752 PolarHBondContact O-N 3.06Å; L748-G752 VanDerWaalsContact O-CA 3.3Å; L748-G752 WeakPolarHBondContact O-CA 3.3Å; L748-G752 PolarHBondContact O-N 3.22Å | ||
| 753 | L | 91 | Very high | 89.6 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | trans | -68 | 144.6 | 177.7 | -85.8 | 71.7 | 0 | 0 | 0 | 110.9 | Y725 F729 L747 L748 M751 P757 A758 I761 | Y725-L753 HydrophobicContact CD1-CD1 3.73Å; Y725-L753 HydrophobicContact CD1-CG 3.61Å; Y725-L753 HydrophobicContact CD2-CG 4.24Å; Y725-L753 HydrophobicContact CE1-CB 4.39Å; Y725-L753 HydrophobicContact CE1-CD1 4.35Å; Y725-L753 HydrophobicContact CE1-CG 3.93Å; Y725-L753 HydrophobicContact CG-CD1 4.09Å; Y725-L753 HydrophobicContact CG-CD2 4.32Å; Y725-L753 HydrophobicContact CG-CG 3.77Å; F729-L753 HydrophobicContact CE2-CD1 4.34Å; F729-L753 HydrophobicContact CE2-CD2 4.22Å; L747-L753 HydrophobicContact CD2-CD2 4.12Å; L747-L753 WeakPolarHBondContact O-CB 3.4Å; L747-L753 PolarHBondContact O-N 2.98Å; L748-L753 WeakPolarHBondContact CD2-O 3.48Å; M751-L753 VanDerWaalsContact C-N 3.28Å; M751-L753 HydrophobicContact CB-CD1 3.51Å; M751-L753 PolarHBondContact O-N 2.8Å; L753-P757 HydrophobicContact CD2-CB 4.25Å; L753-A758 HydrophobicContact CB-CB 4.08Å; L753-A758 HydrophobicContact CD2-CB 4.26Å; L753-I761 HydrophobicContact CD2-CD1 3.67Å | ||
| 754 | K | 91.6 | Very high | 89.6 | Confident | 123 Ų | 123 | 56.3 Ų | 56.3 | 54% | 0.535 | 31% | 0.31 | S | S | . | . | trans | -67.6 | 147.8 | 163.8 | -61.8 | 160.1 | -164.5 | 145.6 | 0 | 108.6 | E724 Y725 G756 P757 A758 | E724-K754 IonicContact OE2-NZ 3.82Å; E724-K754 PolarHBondContact OE2-NZ 2.97Å; E724-K754 VanDerWaalsContact OE2-NZ 3.12Å; Y725-K754 VanDerWaalsContact OH-CD 3.27Å; Y725-K754 WeakPolarHBondContact OH-CD 3.42Å; Y725-K754 WeakPolarHBondContact OH-CE 3.35Å; Y725-K754 WeakPolarHBondContact OH-CG 3.49Å; Y725-K754 PolarHBondContact OH-NZ 3.24Å; K754-G756 VanDerWaalsContact C-N 3.28Å; K754-G756 PolarHBondContact O-N 3.18Å; K754-P757 HydrophobicContact CB-CG 4.18Å; K754-P757 WeakPolarHBondContact O-CD 3.48Å; K754-A758 PolarHBondContact O-N 2.75Å | ||
| 755 | L | 89.1 | Confident | 89.6 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.4 | -39 | -176.8 | -176.4 | 64.8 | 0 | 0 | 0 | 113.8 | L748 A758 L759 | L748-L755 HydrophobicContact CD1-CD1 4.13Å; L748-L755 HydrophobicContact CD2-CB 4.12Å; L748-L755 HydrophobicContact CD2-CD1 4.12Å; L755-A758 PolarHBondContact O-N 2.91Å; L755-L759 HydrophobicContact CD1-CD1 3.88Å; L755-L759 HydrophobicContact CD1-CG 3.96Å; L755-L759 HydrophobicContact CD2-CD1 4.49Å; L755-L759 HydrophobicContact CG-CD1 3.84Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.14Å; L755-L759 VanDerWaalsContact O-CG 3.3Å; L755-L759 WeakPolarHBondContact O-CG 3.5Å; L755-L759 PolarHBondContact O-N 3.28Å |
| 756 | G | 89.7 | Confident | 89.5 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.1 | -60.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K754 A758 L759 K760 | K754-G756 VanDerWaalsContact C-N 3.28Å; K754-G756 PolarHBondContact O-N 3.18Å; G756-A758 PolarHBondContact O-N 2.82Å; G756-L759 PolarHBondContact O-N 2.68Å; G756-K760 WeakPolarHBondContact O-CB 3.23Å; G756-K760 WeakPolarHBondContact O-CG 3.29Å; G756-K760 PolarHBondContact O-N 3.29Å |
| 757 | P | 91.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50.8 | -47.4 | 170.1 | -31.2 | 35.2 | 0 | 0 | 0 | 114.7 | Y725 L753 K754 L759 K760 I761 | Y725-P757 HydrophobicContact CD2-CB 4.01Å; Y725-P757 HydrophobicContact CD2-CG 4.41Å; Y725-P757 HydrophobicContact CE2-CB 3.66Å; Y725-P757 HydrophobicContact CE2-CG 3.63Å; L753-P757 HydrophobicContact CD2-CB 4.25Å; K754-P757 HydrophobicContact CB-CG 4.18Å; K754-P757 WeakPolarHBondContact O-CD 3.48Å; P757-L759 PolarHBondContact O-N 3.41Å; P757-K760 WeakPolarHBondContact O-CB 3.35Å; P757-K760 PolarHBondContact O-N 3.4Å; P757-I761 WeakPolarHBondContact O-CG1 3.43Å; P757-I761 PolarHBondContact O-N 3.04Å |
| 758 | A | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L747 L748 L753 K754 L755 G756 R762 | L747-A758 HydrophobicContact CB-CB 3.86Å; L747-A758 HydrophobicContact CD1-CB 4.26Å; L748-A758 HydrophobicContact CD2-CB 4.33Å; L753-A758 HydrophobicContact CB-CB 4.08Å; L753-A758 HydrophobicContact CD2-CB 4.26Å; K754-A758 PolarHBondContact O-N 2.75Å; L755-A758 PolarHBondContact O-N 2.91Å; G756-A758 PolarHBondContact O-N 2.82Å; A758-R762 PolarHBondContact O-N 2.81Å; A758-R762 VanDerWaalsContact O-N 3.1Å |
| 759 | L | 90.8 | Very high | 88.3 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 175.8 | -68.8 | 176.6 | 0 | 0 | 0 | 112.5 | E744 L755 G756 P757 A763 | E744-L759 HydrophobicContact CG-CD2 4.39Å; L755-L759 HydrophobicContact CD1-CD1 3.88Å; L755-L759 HydrophobicContact CD1-CG 3.96Å; L755-L759 HydrophobicContact CD2-CD1 4.49Å; L755-L759 HydrophobicContact CG-CD1 3.84Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.14Å; L755-L759 VanDerWaalsContact O-CG 3.3Å; L755-L759 WeakPolarHBondContact O-CG 3.5Å; L755-L759 PolarHBondContact O-N 3.28Å; G756-L759 PolarHBondContact O-N 2.68Å; P757-L759 PolarHBondContact O-N 3.41Å; L759-A763 WeakPolarHBondContact O-CB 3.4Å; L759-A763 PolarHBondContact O-N 2.83Å |
| 760 | K | 91.3 | Very high | 87 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 174.3 | -82.2 | 177 | 172.8 | -178.6 | 0 | 111.8 | S720 G756 P757 Q764 | S720-K760 PolarHBondContact O-NZ 2.74Å; G756-K760 WeakPolarHBondContact O-CB 3.23Å; G756-K760 WeakPolarHBondContact O-CG 3.29Å; G756-K760 PolarHBondContact O-N 3.29Å; P757-K760 WeakPolarHBondContact O-CB 3.35Å; P757-K760 PolarHBondContact O-N 3.4Å; K760-Q764 WeakPolarHBondContact O-CB 3.32Å; K760-Q764 PolarHBondContact O-N 3.36Å |
| 761 | I | 91.3 | Very high | 85.6 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -53.8 | -179.4 | -65.9 | 165.9 | 0 | 0 | 0 | 109.4 | V716 L719 C722 F729 L739 L753 P757 A763 Q764 V765 | V716-I761 HydrophobicContact CG1-CD1 3.96Å; V716-I761 HydrophobicContact CG2-CD1 4.27Å; V716-I761 HydrophobicContact CG2-CG1 4.49Å; V716-I761 HydrophobicContact CG2-CG2 4.47Å; L719-I761 HydrophobicContact CD1-CG1 3.92Å; C722-I761 HydrophobicContact CB-CD1 4.45Å; F729-I761 HydrophobicContact CE2-CD1 3.88Å; F729-I761 HydrophobicContact CZ-CD1 3.86Å; F729-I761 HydrophobicContact CZ-CG2 4.19Å; L739-I761 HydrophobicContact CD1-CG2 4.29Å; L753-I761 HydrophobicContact CD2-CD1 3.67Å; P757-I761 WeakPolarHBondContact O-CG1 3.43Å; P757-I761 PolarHBondContact O-N 3.04Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.03Å; I761-Q764 PolarHBondContact O-N 3.38Å; I761-Q764 VanDerWaalsContact O-N 3.09Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 VanDerWaalsContact O-CG2 3.31Å; I761-V765 WeakPolarHBondContact O-CG2 3.36Å; I761-V765 PolarHBondContact O-N 2.98Å |
| 762 | R | 89.8 | Confident | 83.5 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 178.5 | -78.5 | 178.1 | 59.9 | -118.7 | 8.5 | 113.2 | E744 L747 A758 Q764 V765 A766 Y774 | E744-R762 IonicContact OE2-CZ 2.61Å; E744-R762 IonicContact OE2-NH1 3.19Å; E744-R762 PolarHBondContact OE2-NH1 2.67Å; E744-R762 IonicContact OE2-NH2 3.54Å; L747-R762 VanDerWaalsContact CD1-CD 3.41Å; L747-R762 HydrophobicContact CD1-CG 3.55Å; A758-R762 PolarHBondContact O-N 2.81Å; A758-R762 VanDerWaalsContact O-N 3.1Å; R762-Q764 PolarHBondContact O-N 3.47Å; R762-V765 PolarHBondContact O-N 3.46Å; R762-A766 VanDerWaalsContact O-CB 3.29Å; R762-A766 WeakPolarHBondContact O-CB 3.33Å; R762-A766 PolarHBondContact O-N 2.91Å; R762-Y774 PolarHBondContact NH1-OH 2.75Å; R762-Y774 PolarHBondContact NH2-OH 3.11Å; R762-Y774 VanDerWaalsContact NH2-OH 3.09Å |
| 763 | A | 88.7 | Confident | 81.4 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L759 I761 R767 | L759-A763 WeakPolarHBondContact O-CB 3.4Å; L759-A763 PolarHBondContact O-N 2.83Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.03Å; A763-R767 VanDerWaalsContact O-CG 3.23Å; A763-R767 WeakPolarHBondContact O-CG 3.33Å; A763-R767 PolarHBondContact O-N 3.28Å |
| 764 | Q | 88.1 | Confident | 78.8 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.5 | -36.7 | 179.4 | -170.1 | 77.4 | -24.6 | 0 | 0 | 112.4 | F715 L719 K760 I761 R762 R767 R768 | F715-Q764 HydrophobicContact CE2-CB 4.32Å; F715-Q764 HydrophobicContact CE2-CG 3.45Å; F715-Q764 VanDerWaalsContact CE2-CG 3.45Å; F715-Q764 HydrophobicContact CZ-CB 3.84Å; F715-Q764 HydrophobicContact CZ-CG 3.48Å; F715-Q764 VanDerWaalsContact CZ-CG 3.48Å; L719-Q764 HydrophobicContact CD1-CB 4.3Å; L719-Q764 HydrophobicContact CD2-CB 4.33Å; L719-Q764 HydrophobicContact CD2-CG 4.07Å; K760-Q764 WeakPolarHBondContact O-CB 3.32Å; K760-Q764 PolarHBondContact O-N 3.36Å; I761-Q764 PolarHBondContact O-N 3.38Å; I761-Q764 VanDerWaalsContact O-N 3.09Å; R762-Q764 PolarHBondContact O-N 3.47Å; Q764-R767 WeakPolarHBondContact O-CB 3.38Å; Q764-R767 PolarHBondContact O-N 3.28Å; Q764-R768 PolarHBondContact O-N 2.86Å; Q764-R768 VanDerWaalsContact O-N 3.08Å |
| 765 | V | 90.1 | Very high | 76.4 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 171.8 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | F715 L739 I761 R762 R767 R768 L769 | F715-V765 HydrophobicContact CE1-CG2 3.68Å; F715-V765 HydrophobicContact CZ-CG2 4.04Å; L739-V765 HydrophobicContact CD1-CG2 3.88Å; L739-V765 HydrophobicContact CD2-CG2 3.81Å; L739-V765 HydrophobicContact CG-CG1 4.33Å; L739-V765 HydrophobicContact CG-CG2 3.72Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 VanDerWaalsContact O-CG2 3.31Å; I761-V765 WeakPolarHBondContact O-CG2 3.36Å; I761-V765 PolarHBondContact O-N 2.98Å; R762-V765 PolarHBondContact O-N 3.46Å; V765-R767 PolarHBondContact O-N 3.4Å; V765-R768 PolarHBondContact O-N 3.27Å; V765-L769 HydrophobicContact CG1-CD1 3.57Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.43Å |
| 766 | A | 85.3 | Confident | 74 | Confident | 30 Ų | 30 | 77 Ų | 77 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.2 | -27.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R762 G770 Y774 | R762-A766 VanDerWaalsContact O-CB 3.29Å; R762-A766 WeakPolarHBondContact O-CB 3.33Å; R762-A766 PolarHBondContact O-N 2.91Å; A766-G770 PolarHBondContact O-N 2.95Å; A766-Y774 HydrophobicContact CB-CD2 4.35Å |
| 767 | R | 84.4 | Confident | 71.5 | Confident | 187 Ų | 187 | 80.1 Ų | 80.1 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.9 | -34.1 | 171.9 | -77 | 175.2 | 78.6 | -149.5 | 8.8 | 113.1 | A763 Q764 V765 | A763-R767 VanDerWaalsContact O-CG 3.23Å; A763-R767 WeakPolarHBondContact O-CG 3.33Å; A763-R767 PolarHBondContact O-N 3.28Å; Q764-R767 WeakPolarHBondContact O-CB 3.38Å; Q764-R767 PolarHBondContact O-N 3.28Å; V765-R767 PolarHBondContact O-N 3.4Å |
| 768 | R | 82.1 | Confident | 68.5 | Low | 123 Ų | 123 | 88.3 Ų | 88.3 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.9 | -43.1 | 176.1 | -72.2 | -175.4 | 174.9 | -89.8 | 10.6 | 112.2 | V704 Q764 V765 G770 | V704-R768 HydrophobicContact CG2-CB 3.69Å; Q764-R768 PolarHBondContact O-N 2.86Å; Q764-R768 VanDerWaalsContact O-N 3.08Å; V765-R768 PolarHBondContact O-N 3.27Å; R768-G770 PolarHBondContact O-N 3.09Å |
| 769 | L | 80.9 | Confident | 65.8 | Low | 57 Ų | 57 | 94.6 Ų | 94.6 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.6 | 176.8 | -69.4 | 170.2 | 0 | 0 | 0 | 114.7 | V704 P740 V765 | V704-L769 HydrophobicContact CB-CD2 3.77Å; V704-L769 HydrophobicContact CB-CG 4.42Å; V704-L769 HydrophobicContact CG1-CD2 4.35Å; V704-L769 HydrophobicContact CG2-CD2 4.05Å; V704-L769 HydrophobicContact CG2-CG 4.3Å; P740-L769 HydrophobicContact CB-CD1 3.72Å; P740-L769 HydrophobicContact CG-CD1 3.95Å; P740-L769 HydrophobicContact CG-CD2 4.14Å; V765-L769 HydrophobicContact CG1-CD1 3.57Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.43Å |
| 770 | G | 60.3 | Low | 63.1 | Low | 45 Ų | 45 | 97.7 Ų | 97.7 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 71.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A766 R768 V772 | A766-G770 PolarHBondContact O-N 2.95Å; R768-G770 PolarHBondContact O-N 3.09Å; G770-V772 VanDerWaalsContact C-N 3.27Å; G770-V772 PolarHBondContact O-N 2.91Å |
| 771 | R | 55.5 | Low | 60.3 | Low | 162 Ų | 162 | 97.4 Ų | 97.4 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 64.2 | 19.7 | 171.2 | -61.6 | -175.2 | 166.9 | -160 | -4.7 | 116.2 | H188 | H188-R771 PolarHBondContact CD2-NH2 3.35Å; H188-R771 VanDerWaalsContact CD2-NH2 3.35Å; H188-R771 PolarHBondContact CE1-NH2 3.1Å; H188-R771 PolarHBondContact ND1-NH2 2.79Å; H188-R771 PolarHBondContact NE2-NH1 3.17Å; H188-R771 PolarHBondContact NE2-NH2 3.07Å |
| 772 | V | 43.8 | Very low | 57.5 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -105.5 | 125.3 | 168.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | G770 | G770-V772 VanDerWaalsContact C-N 3.27Å; G770-V772 PolarHBondContact O-N 2.91Å |
| 773 | F | 41.7 | Very low | 54.8 | Low | 189 Ų | 189 | 108.4 Ų | 108.4 | 83% | 0.829 | 60% | 0.595 | S | S | * | * | trans | 53.6 | 82.5 | -178.4 | -49.1 | -55.2 | 0 | 0 | 0 | 118.1 | ||||
| 774 | Y | 37.8 | Very low | 52 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 55% | 0.549 | 62% | 0.615 | S | S | . | * | trans | -136.5 | 56.1 | 145.6 | -147.5 | -84 | 0 | 0 | 0 | 111.2 | R762 A766 | R762-Y774 PolarHBondContact NH1-OH 2.75Å; R762-Y774 PolarHBondContact NH2-OH 3.11Å; R762-Y774 VanDerWaalsContact NH2-OH 3.09Å; A766-Y774 HydrophobicContact CB-CD2 4.35Å | ||
| 775 | V | 40 | Very low | 49.4 | Very low | 151 Ų | 151 | 120 Ų | 120 | 92% | 0.915 | 64% | 0.644 | S | S | * | * | trans | -130.5 | 67.4 | 169.3 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 776 | A | 40.1 | Very low | 46.7 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | trans | -140.6 | 154.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 777 | S | 36.6 | Very low | 44.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 65.2 | 45.5 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 778 | F | 28 | Very low | 41.6 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -142.9 | 116.9 | 143.9 | -93.6 | -72.3 | 0 | 0 | 0 | 110.1 | V780 | F778-V780 PolarHBondContact O-N 2.88Š| ||
| 779 | P | 36.3 | Very low | 39 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | -78.5 | 82.6 | 177.8 | 32.1 | -34 | 0 | 0 | 0 | 110.6 | A781 | P779-A781 PolarHBondContact O-N 3.41Š| ||
| 780 | V | 33.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -73.7 | 115.3 | 167 | 180 | 0 | 0 | 0 | 0 | 108 | F778 L782 | F778-V780 PolarHBondContact O-N 2.88Å; V780-L782 PolarHBondContact O-N 3.45Å | ||
| 781 | A | 32.3 | Very low | 35.3 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -56.3 | 130.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P779 | P779-A781 PolarHBondContact O-N 3.41Š| ||
| 782 | L | 31.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 126.6 | 166.7 | -77.4 | 163.7 | 0 | 0 | 0 | 108.9 | V780 L784 | V780-L782 PolarHBondContact O-N 3.45Å; L782-L784 PolarHBondContact O-N 3.37Å | ||
| 783 | P | 33.9 | Very low | 33.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -70.2 | 102.2 | 167.6 | 28.8 | -31.4 | 0 | 0 | 0 | 108.2 | Q785 | P783-Q785 PolarHBondContact O-N 3.28Š| ||
| 784 | L | 30.7 | Very low | 33 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -53 | 127.2 | 170.5 | -67.9 | 170.3 | 0 | 0 | 0 | 109.1 | L782 | L782-L784 PolarHBondContact O-N 3.37Š|
| 785 | Q | 33.4 | Very low | 32.4 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69 | 130.4 | 166.3 | -67.4 | -173.7 | -76.3 | 0 | 0 | 108 | P783 | P783-Q785 PolarHBondContact O-N 3.28Š|
| 786 | P | 33.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.9 | 171.2 | 28.5 | -33.6 | 0 | 0 | 0 | 109.1 | T788 | P786-T788 PolarHBondContact O-N 3.35Š|
| 787 | P | 32.3 | Very low | 31.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.5 | 172.5 | 27.2 | -33.8 | 0 | 0 | 0 | 109.6 | L789 | P787-L789 PolarHBondContact O-N 2.66Š|
| 788 | T | 29.6 | Very low | 30.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 102.7 | 173.9 | 36.6 | 0 | 0 | 0 | 0 | 110.3 | P786 R790 | P786-T788 PolarHBondContact O-N 3.35Å; T788-R790 PolarHBondContact O-N 3.27Å | ||
| 789 | L | 27.1 | Very low | 30.5 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -59.4 | 107.3 | 164.2 | -75.3 | 169.4 | 0 | 0 | 0 | 109.1 | P787 | P787-L789 PolarHBondContact O-N 2.66Š| ||
| 790 | R | 34.2 | Very low | 30 | Very low | 232 Ų | 232 | 144.3 Ų | 144.3 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 141.3 | 157 | -84.1 | -164.1 | 167.2 | -159.6 | -2.4 | 109.1 | T788 | T788-R790 PolarHBondContact O-N 3.27Š|
| 791 | A | 29.1 | Very low | 29.7 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 159.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 792 | P | 34.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 145.9 | -157.8 | 32.2 | -36 | 0 | 0 | 0 | 113.9 | ||
| 793 | E | 28.3 | Very low | 30.3 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -105.1 | 132.2 | 155.9 | -67.1 | 178.3 | 109 | 0 | 0 | 107.9 | ||||
| 794 | R | 29.8 | Very low | 30.1 | Very low | 210 Ų | 210 | 146.7 Ų | 146.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -129.9 | 125.2 | 168.7 | -84.1 | -168.5 | 91.6 | 153.6 | 3.2 | 110.8 | ||||
| 795 | E | 24.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | 71.5 | 96.2 | 142.8 | -68.2 | 167.9 | -146.1 | 0 | 0 | 119.2 | ||||
| 796 | L | 27.9 | Very low | 30.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | 60.8 | 114 | 108.1 | -160 | 75.6 | 0 | 0 | 0 | 119.2 | |||||
| 797 | G | 24.7 | Very low | 30.3 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 158.8 | 135.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 798 | T | 25.2 | Very low | 30 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | cis | -146.5 | 155.2 | 2.6 | -65 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 799 | G | 26.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -118.1 | 131.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 800 | E | 27.1 | Very low | 29.8 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 168.5 | 158.8 | -121.4 | -178.3 | 137.3 | 0 | 0 | 110.2 | ||||
| 801 | Q | 26.1 | Very low | 30.5 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -134.1 | -160.4 | -167.3 | -151.4 | -160.2 | -13.3 | 0 | 0 | 110.8 | ||||
| 802 | P | 51.3 | Low | 30.5 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | -84.7 | 176.3 | -101.5 | 38.5 | -27.4 | 0 | 0 | 0 | 114.9 | |||||
| 803 | L | 25.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | 175 | 157.2 | 130.6 | -94.7 | 161.5 | 0 | 0 | 0 | 113.2 | ||||
| 804 | S | 30 | Very low | 30.2 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -121.3 | 176.1 | 165.5 | -51.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 805 | P | 47.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -142.2 | -145.1 | 7.4 | 43 | -21.1 | 0 | 0 | 0 | 114.3 | ||||
| 806 | T | 25.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 94.4 | 104.4 | 152.7 | 12.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 807 | T | 27.3 | Very low | 30.6 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 46.5 | 123.8 | 134.1 | 55.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 808 | A | 27.7 | Very low | 30.9 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 52.3 | 136.9 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 809 | T | 26.8 | Very low | 31.2 | Very low | 139 Ų | 139 | 123 Ų | 123 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | -165.6 | 169.6 | 60.9 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 810 | S | 25.7 | Very low | 31.4 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -77.8 | -168.5 | 174.5 | -137 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 811 | P | 48 | Very low | 31.5 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | cis | -141.6 | -173.4 | -0.9 | 30.2 | -4 | 0 | 0 | 0 | 117.5 | ||||
| 812 | Y | 29.1 | Very low | 31.6 | Very low | 236 Ų | 236 | 119.7 Ų | 119.7 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | 65.1 | 140.9 | 169.4 | -72.2 | -84.9 | 0 | 0 | 0 | 118.1 | ||||
| 813 | G | 28.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | cis | 171.8 | 160.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 814 | G | 28.7 | Very low | 31.4 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | 174.8 | 170.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 815 | G | 31.1 | Very low | 31.3 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 144.1 | 160 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 816 | H | 31.5 | Very low | 30.7 | Very low | 184 Ų | 184 | 124.4 Ų | 124.4 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | cis | -153.8 | 148 | -7.9 | -90.7 | -87.1 | 0 | 0 | 0 | 110.3 | ||||
| 817 | A | 28.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -149.8 | 112.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 818 | L | 31.5 | Very low | 31.1 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -96.5 | 131.9 | 167 | -72.6 | 149.1 | 0 | 0 | 0 | 106.6 | ||||
| 819 | A | 31.6 | Very low | 31.3 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | 71.7 | 81.9 | 39.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 820 | G | 29.1 | Very low | 31.4 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -97.9 | 96 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 821 | Q | 29.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 58.2 | 133 | 163.6 | -59.5 | -169.2 | -5.4 | 0 | 0 | 120.5 | ||
| 822 | T | 28.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | 45.6 | 102.1 | 150.7 | 55.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 823 | S | 27.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 86.4 | 144.8 | 74.3 | -75.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 824 | P | 44.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -135.9 | -149.6 | -135 | 43.1 | -24.5 | 0 | 0 | 0 | 112.9 | ||||
| 825 | K | 28.4 | Very low | 31.9 | Very low | 147 Ų | 147 | 129 Ų | 129 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 107.5 | 93.7 | 150.2 | -160.1 | -174 | 174.9 | -151.7 | 0 | 115.6 | E827 | K825-E827 WeakPolarHBondContact CE-OE2 3.26Å; K825-E827 VanDerWaalsContact NZ-CD 3.35Å; K825-E827 IonicContact NZ-OE1 3.79Å; K825-E827 IonicContact NZ-OE2 3.27Å; K825-E827 PolarHBondContact NZ-OE2 3.14Å | ||
| 826 | Q | 35.2 | Very low | 31.9 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -64.4 | 134.7 | 152.6 | 179.1 | -175.6 | 34.6 | 0 | 0 | 109.4 | ||||
| 827 | E | 31 | Very low | 32 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 66% | 0.659 | 78% | 0.783 | S | S | * | * | trans | -140.2 | 114.4 | 172 | -173.3 | 155.1 | 88.6 | 0 | 0 | 111.7 | K825 | K825-E827 WeakPolarHBondContact CE-OE2 3.26Å; K825-E827 VanDerWaalsContact NZ-CD 3.35Å; K825-E827 IonicContact NZ-OE1 3.79Å; K825-E827 IonicContact NZ-OE2 3.27Å; K825-E827 PolarHBondContact NZ-OE2 3.14Å | ||
| 828 | N | 30.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 26.7 | 137.5 | 132.3 | -152.2 | 19.6 | 0 | 0 | 0 | 120.4 | ||||
| 829 | G | 31.4 | Very low | 32.8 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 172.3 | 49.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 830 | T | 29.6 | Very low | 33.7 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -11.6 | 130.8 | 151.6 | -56.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 831 | L | 31.1 | Very low | 34 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 131.7 | 149.3 | -85 | 165 | 0 | 0 | 0 | 124.6 | ||||
| 832 | A | 30.2 | Very low | 34.3 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | 84.1 | 120.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 833 | L | 31.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 68.9 | 112.1 | 141 | -63.7 | 168.4 | 0 | 0 | 0 | 121.7 | ||||
| 834 | L | 33 | Very low | 35.7 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 20.4 | 155.9 | 125 | -63.6 | 176.1 | 0 | 0 | 0 | 121.5 | |||||
| 835 | P | 45.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -131.5 | 174.4 | -7 | 39.5 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 836 | G | 30 | Very low | 35.8 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 160.3 | 125.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 837 | A | 34.7 | Very low | 35.8 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -99.7 | 162.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 838 | P | 45.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | cis | -143.1 | -172.7 | 37.9 | 40.3 | -18.8 | 0 | 0 | 0 | 117.3 | ||||
| 839 | D | 31.3 | Very low | 36.4 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -42.7 | 163.1 | 155.3 | -113.2 | -24.2 | 0 | 0 | 0 | 113.4 | ||||
| 840 | P | 49.5 | Very low | 36.7 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | cis | -145.6 | -179.6 | 39 | 41.3 | -21.3 | 0 | 0 | 0 | 118.4 | ||||
| 841 | S | 35.1 | Very low | 37.2 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | trans | 67.5 | 124.5 | 155 | 50.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 842 | Q | 37.3 | Very low | 37.6 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | 58.5 | 140.2 | 63.9 | -73.9 | -160.4 | -0.8 | 0 | 0 | 114.8 | |||||
| 843 | P | 45.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 83% | 0.83 | S | S | * | * | -132.5 | -169.6 | -53.6 | 34.5 | -15.8 | 0 | 0 | 0 | 109.9 | |||||
| 844 | L | 38 | Very low | 38.8 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | 155 | 143.7 | 134.9 | -83.8 | 161.2 | 0 | 0 | 0 | 112 | ||||
| 845 | C | 39.7 | Very low | 39.3 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 100% | 1.378 | 83% | 0.832 | S | S | * | * | trans | 73.8 | 0 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 116.1 |
Retrieved 845 of 845 residues in 616.9 ms
(Link to these results)