| 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 | 35.1 | Very low | 39.3 | Very low | 252 Ų | 252 | 148.8 Ų | 148.8 | 100% | 1.241 | 84% | 0.844 | S | S | * | * | 0 | 129.9 | 0 | -55.9 | 169.9 | -176.3 | 0 | 0 | 106.6 | |||||
| 2 | G | 31.2 | Very low | 38.2 | Very low | 79 Ų | 79 | 145.8 Ų | 145.8 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | cis | -168.2 | 134.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | T | 31.2 | Very low | 37.6 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | trans | -100 | -175.7 | -174.7 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | P | 60.1 | Low | 36.9 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 72% | 0.721 | 84% | 0.84 | S | S | * | * | -130.4 | -177.5 | -60.4 | 38.5 | -24.8 | 0 | 0 | 0 | 111.5 | |||||
| 5 | R | 30 | Very low | 36.4 | Very low | 248 Ų | 248 | 147.9 Ų | 147.9 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -173.5 | 156.9 | 137.3 | -111 | 168.9 | -179.8 | 168.5 | 0.7 | 114.4 | ||||
| 6 | A | 32.9 | Very low | 35.7 | Very low | 88 Ų | 88 | 149.8 Ų | 149.8 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -121.9 | 158.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | Q | 28.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -173.8 | 137.6 | 155.2 | -108.6 | 158.3 | 4.4 | 0 | 0 | 113.7 | ||||
| 8 | H | 28 | Very low | 34.8 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -105.7 | -179.9 | 155.9 | -72.2 | -69.8 | 0 | 0 | 0 | 108.1 | ||||
| 9 | P | 54.2 | Low | 34.3 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | -120.3 | -124 | -43 | 30.3 | -7.1 | 0 | 0 | 0 | 107.4 | ||||
| 10 | P | 43.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | cis | -119.8 | -105.7 | -33.2 | 24.8 | 1.6 | 0 | 0 | 0 | 114.6 | ||||
| 11 | P | 58.2 | Low | 33.7 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 174.8 | -138.1 | 42.4 | -20.2 | 0 | 0 | 0 | 119.1 | ||||
| 12 | S | 26.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -158.2 | 134.7 | 148.6 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | Q | 30.3 | Very low | 34 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | 71.3 | 113 | 48.4 | -76.6 | -153.3 | 2.2 | 0 | 0 | 115.9 | ||||
| 14 | L | 27.5 | Very low | 34 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | 171.5 | 160.3 | 138.8 | -109.8 | 110.4 | 0 | 0 | 0 | 108.6 | ||||
| 15 | L | 28.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | -172.8 | 135.6 | -43.6 | -161.5 | 85.4 | 0 | 0 | 0 | 108.1 | ||||
| 16 | F | 26.5 | Very low | 32.7 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 50.4 | 152.8 | 148 | -80 | -150.9 | 0 | 0 | 0 | 119.7 | ||||
| 17 | L | 26.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -170.1 | 175.1 | 16.7 | -121.8 | 168.5 | 0 | 0 | 0 | 109.5 | ||||
| 18 | I | 27.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 71.5 | 143.8 | 152.2 | -74.8 | 156.8 | 0 | 0 | 0 | 118.9 | ||||
| 19 | L | 25.3 | Very low | 33.5 | Very low | 135 Ų | 135 | 134 Ų | 134 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | cis | -176.2 | 158.2 | -39.3 | -119.7 | 177.4 | 0 | 0 | 0 | 109.6 | ||||
| 20 | L | 27.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 141.5 | 166.7 | -58.6 | 161.9 | 0 | 0 | 0 | 116.1 | ||||
| 21 | S | 28.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | cis | -138.2 | 160.2 | 34.8 | 53.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 22 | C | 24.7 | Very low | 30 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -108.2 | 171.1 | 176.9 | -152.2 | 0 | 0 | 0 | 0 | 110.6 | W24 | C22-W24 PolarHBondContact SG-N 2.64Å; C22-W24 VanDerWaalsContact SG-N 3.36Å | ||
| 23 | P | 49 | Very low | 30.1 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | -150.8 | 131.5 | 82.5 | 36.7 | -16.7 | 0 | 0 | 0 | 118.2 | |||||
| 24 | W | 30.9 | Very low | 30 | Very low | 199 Ų | 199 | 139 Ų | 139 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | 73.1 | 157.3 | 129.7 | -63.3 | 19.1 | 0 | 0 | 0 | 117.4 | C22 | C22-W24 PolarHBondContact SG-N 2.64Å; C22-W24 VanDerWaalsContact SG-N 3.36Å | |||
| 25 | I | 30 | Very low | 29.9 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | cis | -130.1 | 133.4 | 23.7 | -69.8 | 171.1 | 0 | 0 | 0 | 113.2 | ||||
| 26 | Q | 31.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | 16.7 | 146.6 | 138.5 | -47.7 | 164.8 | -3.8 | 0 | 0 | 120.3 | ||||
| 27 | G | 29.3 | Very low | 30.5 | Very low | 59 Ų | 59 | 137.9 Ų | 137.9 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | cis | -177.8 | 150.1 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 28 | L | 31.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | 80.1 | 147.2 | 96.9 | -69.6 | 171.3 | 0 | 0 | 0 | 115.4 | |||||
| 29 | P | 46.4 | Very low | 32.2 | Very low | 99 Ų | 99 | 139 Ų | 139 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | cis | -144 | -169.4 | -39.7 | 37.1 | -16.8 | 0 | 0 | 0 | 114.9 | ||||
| 30 | L | 26.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | 82.3 | 129.9 | 166.1 | -55.7 | 165.4 | 0 | 0 | 0 | 116.2 | ||||
| 31 | K | 27.8 | Very low | 32.2 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | cis | 75 | 143.8 | 23.5 | -153.2 | -177.5 | -173 | -67.7 | 0 | 113 | E33 | K31-E33 IonicContact NZ-OE2 2.72Å; K31-E33 PolarHBondContact NZ-OE2 2.75Å | ||
| 32 | E | 28.1 | Very low | 32.1 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | -86.4 | 171.6 | -2.8 | -88.4 | 66.4 | -139.6 | 0 | 0 | 114.1 | ||||
| 33 | E | 28.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | cis | 88.5 | 104.5 | 25.3 | -157.6 | 171.6 | -159.4 | 0 | 0 | 115.4 | K31 | K31-E33 IonicContact NZ-OE2 2.72Å; K31-E33 PolarHBondContact NZ-OE2 2.75Å | ||
| 34 | E | 26.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 150.3 | 141.4 | 140 | -82.1 | -143.5 | 120.7 | 0 | 0 | 117.6 | ||||
| 35 | I | 25.6 | Very low | 32.3 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | trans | 70.8 | 133.5 | 142.8 | -68.1 | 168.8 | 0 | 0 | 0 | 122.7 | ||||
| 36 | F | 34.8 | Very low | 32.2 | Very low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | trans | -86.8 | 148.5 | 165 | -103 | -87.6 | 0 | 0 | 0 | 110.9 | ||||
| 37 | P | 34.2 | Very low | 32 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | -155.9 | 172.7 | 88.3 | 42.2 | -23.5 | 0 | 0 | 0 | 117.6 | |||||
| 38 | E | 34.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -94.2 | 179.3 | 157.9 | -87.3 | -160 | 169.2 | 0 | 0 | 110.9 | ||||
| 39 | P | 55.5 | Low | 31.8 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -129.6 | -174.9 | -3.9 | 37.7 | -20.2 | 0 | 0 | 0 | 114.3 | ||||
| 40 | G | 26.9 | Very low | 30.8 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | 134.2 | 94.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 41 | S | 25.5 | Very low | 30.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 54.4 | 137.3 | 134.3 | 60.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 42 | E | 26.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | 93.5 | 141.3 | 146.4 | -78.4 | 175.1 | -155.2 | 0 | 0 | 122.3 | ||||
| 43 | T | 30 | Very low | 30.6 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -120 | -162.3 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 44 | P | 52.7 | Low | 30.6 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -133 | -171.3 | -11 | 41.8 | -24.6 | 0 | 0 | 0 | 113.4 | ||||
| 45 | T | 25.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | 176.8 | 127.9 | 126.1 | 26.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 46 | V | 28.6 | Very low | 30.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | 52.1 | 134.3 | 119.5 | 179.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 47 | A | 27.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | cis | -146.1 | -174.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 48 | S | 27.4 | Very low | 29.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -156.8 | 148.5 | 16.9 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 49 | E | 28.2 | Very low | 29.4 | Very low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | 21.5 | 144.5 | 122.2 | -50.5 | 179 | 123.9 | 0 | 0 | 119.5 | |||||
| 50 | A | 26.6 | Very low | 28.1 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | -151 | -171.7 | 10 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 51 | L | 25.8 | Very low | 28.3 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | cis | -163.9 | 149.9 | 15.5 | -169.8 | 82.8 | 0 | 0 | 0 | 110.5 | ||||
| 52 | A | 24.9 | Very low | 28.7 | Very low | 84 Ų | 84 | 143 Ų | 143 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | 58.5 | 125.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 53 | E | 26.8 | Very low | 28.6 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | 62 | 125.9 | 41.6 | -72.8 | -128.5 | 128.5 | 0 | 0 | 117 | ||||
| 54 | L | 27.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | -175.9 | 127.9 | 102.4 | -93 | 168.3 | 0 | 0 | 0 | 113.1 | |||||
| 55 | L | 27.6 | Very low | 28.1 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 127.1 | 152.7 | -57.3 | 171.6 | 0 | 0 | 0 | 118.4 | ||||
| 56 | H | 25.8 | Very low | 28.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | 65.3 | 139.7 | 60.5 | -65.7 | 56.3 | 0 | 0 | 0 | 113.9 | |||||
| 57 | G | 26.6 | Very low | 28.1 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 148.7 | 156.9 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 58 | A | 26.4 | Very low | 28 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 70.5 | 163.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 59 | L | 25.2 | Very low | 28.1 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | cis | -136 | 149.2 | 18.8 | -87.8 | 166.5 | 0 | 0 | 0 | 115 | ||||
| 60 | L | 28.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 152.5 | 158.2 | -72.3 | 156.6 | 0 | 0 | 0 | 110.7 | ||||
| 61 | R | 29.6 | Very low | 28.7 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -174.3 | 109.6 | 134.5 | -105.8 | 165.2 | -173.7 | -160 | 0.7 | 115 | ||||
| 62 | R | 33.8 | Very low | 28.8 | Very low | 254 Ų | 254 | 140.9 Ų | 140.9 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | -83.8 | 160 | 121.4 | -103.3 | -176 | 175.1 | 173.8 | -1.5 | 107.9 | |||||
| 63 | G | 25.1 | Very low | 29.1 | Very low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 148 | -172.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 64 | P | 44.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -103.6 | 174.8 | -11.6 | 25 | -2.9 | 0 | 0 | 0 | 110 | ||||
| 65 | E | 28.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 160.8 | 158.3 | 84.1 | -85.4 | -162.7 | 165.6 | 0 | 0 | 105.6 | |||||
| 66 | M | 26.6 | Very low | 30.7 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | cis | -150.4 | 144.3 | -16.2 | -163.7 | 171 | -61.2 | 0 | 0 | 106 | ||||
| 67 | G | 26.7 | Very low | 30.8 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -106.4 | 158.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 68 | Y | 26.3 | Very low | 31 | Very low | 243 Ų | 243 | 143 Ų | 143 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 157.4 | 157.3 | -115.1 | -84.9 | 0 | 0 | 0 | 110.7 | ||||
| 69 | L | 28.2 | Very low | 31 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -105.8 | 169.2 | -173.2 | -84.4 | 172.7 | 0 | 0 | 0 | 112.3 | ||||
| 70 | P | 41.9 | Very low | 31.2 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 170.8 | -142.9 | 37.4 | -39.4 | 0 | 0 | 0 | 116.1 | ||||
| 71 | G | 25.7 | Very low | 32.2 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -159 | 124.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 72 | S | 28.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 40.9 | 121.9 | 149.1 | 60.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 73 | D | 30.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -41.6 | 147.9 | 142 | -78.8 | -52.4 | 0 | 0 | 0 | 112.4 | ||||
| 74 | P | 38.2 | Very low | 33.1 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -148.1 | 169.5 | 59.7 | 42.1 | -23.2 | 0 | 0 | 0 | 119.3 | |||||
| 75 | D | 29.3 | Very low | 32.4 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -54.9 | 170.4 | 157.4 | -135.4 | 5.3 | 0 | 0 | 0 | 112.5 | ||||
| 76 | P | 48.7 | Very low | 32.5 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -137 | -169 | -6.4 | 23.8 | 2.8 | 0 | 0 | 0 | 115.4 | ||||
| 77 | T | 27.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 104.1 | 121.4 | 146.5 | 72.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 78 | L | 30.3 | Very low | 32.7 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | 65.5 | 137.6 | 137.1 | -114.9 | 71.5 | 0 | 0 | 0 | 125.1 | ||||
| 79 | A | 27.8 | Very low | 32.8 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 92.8 | 120.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 80 | T | 28.4 | Very low | 33.6 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -81.5 | 175.3 | 161.3 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 81 | P | 50.8 | Low | 33.1 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -127.2 | -124.3 | -36 | 36.6 | -15.5 | 0 | 0 | 0 | 108.6 | ||||
| 82 | P | 47.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -126.9 | 160.5 | -45.4 | 36.2 | -20.2 | 0 | 0 | 0 | 115.8 | ||||
| 83 | A | 30.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | 61.7 | 156 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 84 | G | 28.9 | Very low | 34.2 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | cis | 164.8 | 176.8 | -5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 85 | Q | 31.1 | Very low | 33.8 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | 71.6 | 161.2 | 179 | -37 | -179.2 | 14.8 | 0 | 0 | 114.8 | ||||
| 86 | T | 28.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | cis | -144.6 | 139.4 | 11.2 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 87 | L | 30.1 | Very low | 33 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 51.5 | 148.7 | 124.6 | -51.6 | 175 | 0 | 0 | 0 | 121.2 | |||||
| 88 | T | 27.9 | Very low | 33.9 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | cis | -161.6 | 145.6 | 6.7 | 15.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 89 | V | 28.6 | Very low | 33.7 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 66 | 137.6 | 61.2 | 176 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 90 | P | 44.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -123.9 | -174.9 | 31 | 15.4 | 13 | 0 | 0 | 0 | 115.4 | ||||
| 91 | S | 31.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | cis | -153 | 169.8 | 36 | 51.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 92 | L | 31.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -108.4 | -167.7 | -179.3 | -105.9 | 79.6 | 0 | 0 | 0 | 111.3 | R94 | L92-R94 HydrophobicContact CD2-CB 4.48Š| ||
| 93 | P | 46.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -123.2 | 175.1 | -3.5 | 18 | 8.5 | 0 | 0 | 0 | 113.7 | ||||
| 94 | R | 30.8 | Very low | 32.7 | Very low | 211 Ų | 211 | 125.1 Ų | 125.1 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | cis | 94.2 | 113.1 | 24 | -171.3 | -170 | 179.4 | 166.3 | 4.6 | 117.5 | L92 | L92-R94 HydrophobicContact CD2-CB 4.48Š| ||
| 95 | A | 29.9 | Very low | 32.6 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -172.2 | 121.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 96 | T | 28.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | 75.4 | 104.6 | 67.7 | 42.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 97 | E | 30.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 53.8 | 174.4 | 123.3 | -67.7 | -167.4 | 161.7 | 0 | 0 | 122.2 | |||||
| 98 | P | 46.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | -138.6 | 175.7 | -55.3 | 41.1 | -25.6 | 0 | 0 | 0 | 115.1 | |||||
| 99 | G | 27.4 | Very low | 33.1 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 108.1 | 122.1 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 100 | T | 29.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 98% | 0.975 | 79% | 0.786 | S | S | * | * | trans | 66.8 | 125.7 | 143.8 | 25.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 101 | G | 28.7 | Very low | 32.2 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 171.1 | 121.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 102 | P | 49.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -124.9 | -171.1 | -166.7 | 42.8 | -30.9 | 0 | 0 | 0 | 117 | ||||
| 103 | L | 27.1 | Very low | 31.7 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 88.9 | 106.5 | 169.2 | -64.7 | 146.8 | 0 | 0 | 0 | 116.1 | ||||
| 104 | T | 27.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | 64.5 | 143 | 92.6 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 105 | T | 27.7 | Very low | 30.7 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -157.6 | 162.1 | 25 | -24.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 106 | A | 29.1 | Very low | 30.5 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -90.9 | 162.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 107 | V | 28.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | 175.3 | 146.5 | 142.2 | 144.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 108 | T | 32.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -93.6 | 168.4 | 175.8 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 109 | P | 38.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -155.5 | -171 | 98.7 | 40.4 | -20.5 | 0 | 0 | 0 | 116 | |||||
| 110 | K | 27.3 | Very low | 31.1 | Very low | 213 Ų | 213 | 123.5 Ų | 123.5 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 143.3 | -177.3 | -58.8 | 167.6 | 175.8 | 175 | 0 | 114.5 | ||||
| 111 | G | 25.7 | Very low | 31.1 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 116.6 | 126.6 | 114 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 112 | V | 25.4 | Very low | 31.1 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 84.9 | 128.6 | 134.2 | 179 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 113 | R | 27.2 | Very low | 30.2 | Very low | 245 Ų | 245 | 129.3 Ų | 129.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 68.7 | 136.8 | 171.5 | -66.6 | 159.7 | -166 | -157.9 | 3.7 | 117 | ||||
| 114 | G | 26 | Very low | 30.3 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | cis | 143.5 | 119.7 | -14.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 115 | A | 31.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -163.1 | 137.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 116 | G | 26.4 | Very low | 31.5 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -108.1 | -162.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 117 | P | 45.8 | Very low | 32.2 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | cis | -116.4 | -168.9 | 14.9 | 42.9 | -30.1 | 0 | 0 | 0 | 112.8 | ||||
| 118 | T | 28.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | cis | -154.1 | 114.6 | 19 | -14.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 119 | A | 30.9 | Very low | 32.1 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | 71.2 | 150.5 | 80.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 120 | P | 40.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -102.8 | 159.4 | -4.4 | 2.6 | 22.4 | 0 | 0 | 0 | 113.4 | ||||
| 121 | E | 29 | Very low | 31.7 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | 66.6 | 139.8 | 73.1 | -59.8 | -177.8 | 93.6 | 0 | 0 | 115.2 | |||||
| 122 | L | 29.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | cis | -150.7 | -178.6 | 3.7 | -154.6 | 66.2 | 0 | 0 | 0 | 111.3 | ||||
| 123 | L | 30.7 | Very low | 32.9 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -135.6 | 159.2 | -178.6 | -90.6 | 171.2 | 0 | 0 | 0 | 114.3 | ||||
| 124 | T | 29.6 | Very low | 34 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 161.6 | 172.2 | 72.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 125 | P | 33.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -124.8 | 179.3 | -7.8 | 37.4 | -19.7 | 0 | 0 | 0 | 114.5 | ||||
| 126 | P | 45.7 | Very low | 34.6 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -89.4 | -176.9 | 169.2 | 39.6 | -38.4 | 0 | 0 | 0 | 112.3 | ||||
| 127 | P | 44.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -130.5 | 176.4 | -2.7 | 42 | -27.2 | 0 | 0 | 0 | 115.6 | ||||
| 128 | G | 30.2 | Very low | 35.5 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 118.4 | 126.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 129 | T | 28.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 69.9 | 132.3 | 149.6 | 55 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 130 | T | 29.2 | Very low | 36.6 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 76.9 | 144.9 | 152.3 | 42.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 131 | A | 28.7 | Very low | 36 | Very low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -99.2 | -166.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 132 | P | 36.1 | Very low | 37.2 | Very low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -130.9 | -124.4 | 3.5 | 33.9 | -8.7 | 0 | 0 | 0 | 113.8 | ||||
| 133 | P | 40 | Very low | 38.4 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | -105.5 | 176.3 | -87.2 | 31.1 | -13.1 | 0 | 0 | 0 | 115.2 | |||||
| 134 | P | 51.3 | Low | 38.6 | Very low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -100.1 | 162.5 | -173.6 | 38.8 | -36.3 | 0 | 0 | 0 | 116.3 | ||||
| 135 | P | 34.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -141.1 | 164.4 | 144.1 | 38.4 | -24 | 0 | 0 | 0 | 116.3 | ||||
| 136 | S | 34.6 | Very low | 39.1 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -96.1 | -159.3 | 171.2 | -31.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 137 | P | 58.6 | Low | 38.7 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | cis | -115.7 | -145.3 | -1.6 | 32.9 | -8.7 | 0 | 0 | 0 | 111.5 | ||||
| 138 | A | 32.2 | Very low | 38 | Very low | 90 Ų | 90 | 116.2 Ų | 116.2 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | cis | -150.6 | -156.1 | 12.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 139 | S | 31.4 | Very low | 38.4 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | -158.9 | -168.5 | 18.8 | -153.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 140 | P | 49.8 | Very low | 38.6 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -105.1 | 179.3 | -114.6 | 40.6 | -23.3 | 0 | 0 | 0 | 115.5 | |||||
| 141 | G | 29 | Very low | 38.5 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 174.4 | -143.1 | 19.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 142 | P | 54.4 | Low | 38.6 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | -113.6 | -167.2 | -106 | 45.1 | -37.5 | 0 | 0 | 0 | 114.1 | |||||
| 143 | P | 54 | Low | 38.1 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -145 | 162.2 | 10.2 | 43 | -22.9 | 0 | 0 | 0 | 121.1 | ||||
| 144 | L | 34.2 | Very low | 37.7 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | 49.8 | 142 | 144.7 | -60.8 | 164.6 | 0 | 0 | 0 | 120.8 | ||||
| 145 | G | 26.7 | Very low | 36.9 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 151.7 | 172 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 146 | P | 48 | Very low | 36.6 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | cis | -125.3 | -158.4 | 4.2 | 44.2 | -27.5 | 0 | 0 | 0 | 113.9 | ||||
| 147 | E | 36.1 | Very low | 36.7 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -98.5 | 168.2 | -164.7 | -57.7 | 160 | 109.4 | 0 | 0 | 116 | ||||
| 148 | G | 29.9 | Very low | 35.8 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 154.1 | 126.4 | 158 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 149 | G | 39.8 | Very low | 36 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 179.8 | 148.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 150 | E | 31 | Very low | 36 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -173.7 | 144.1 | 152.6 | -109 | 165 | -169 | 0 | 0 | 111 | ||||
| 151 | E | 28.9 | Very low | 35.3 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 59.7 | 173.8 | 155 | -59.6 | -162.9 | 151.5 | 0 | 0 | 123.2 | ||||
| 152 | E | 30.7 | Very low | 35.6 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 151.5 | -150.8 | -48 | 178.3 | 134.9 | 0 | 0 | 116.3 | ||||
| 153 | T | 24.3 | Very low | 34.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | -179.7 | 132.7 | 110.6 | 25.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 154 | T | 31.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 39.9 | 133.5 | 134.2 | -42.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 155 | T | 34.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 66.6 | 147.8 | 162.3 | 38.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 156 | T | 30.2 | Very low | 34.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | cis | -129.7 | 148.4 | 1.5 | 48 | 0 | 0 | 0 | 0 | 111.5 | I158 | T156-I158 PolarHBondContact O-N 3.38Š| ||
| 157 | I | 36.6 | Very low | 33.2 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | trans | -76.3 | 116 | 166.3 | -61.2 | 173.7 | 0 | 0 | 0 | 109.2 | ||||
| 158 | I | 39.1 | Very low | 33.1 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 67% | 0.672 | 76% | 0.756 | S | S | * | * | trans | -100.6 | 108.6 | 165.9 | -61.8 | 176.2 | 0 | 0 | 0 | 107.5 | T156 T160 | T156-I158 PolarHBondContact O-N 3.38Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 HydrophobicContact CG2-CG2 4.42Å; I158-T160 PolarHBondContact O-N 2.72Å | ||
| 159 | T | 35.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | -78.3 | 78.6 | -179.7 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | T161 | T159-T161 HydrophobicContact CG2-CG2 4.27Å; T159-T161 PolarHBondContact O-N 2.72Å; T159-T161 VanDerWaalsContact O-N 3.11Å | ||
| 160 | T | 33.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -73.2 | 94.7 | 163.3 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | I158 T162 | I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 HydrophobicContact CG2-CG2 4.42Å; I158-T160 PolarHBondContact O-N 2.72Å; T160-T162 VanDerWaalsContact C-N 3.34Å; T160-T162 PolarHBondContact O-N 2.75Å | ||
| 161 | T | 35.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | -66.5 | 91.8 | 166.7 | 44.5 | 0 | 0 | 0 | 0 | 110 | T159 V163 | T159-T161 HydrophobicContact CG2-CG2 4.27Å; T159-T161 PolarHBondContact O-N 2.72Å; T159-T161 VanDerWaalsContact O-N 3.11Å; T161-V163 PolarHBondContact O-N 2.74Å | ||
| 162 | T | 34.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | trans | -67.4 | 98.5 | 164.1 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | T160 T164 | T160-T162 VanDerWaalsContact C-N 3.34Å; T160-T162 PolarHBondContact O-N 2.75Å; T162-T164 PolarHBondContact O-N 3.49Å | ||
| 163 | V | 36.7 | Very low | 37.9 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | trans | -69.3 | 98.8 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | T161 T165 | T161-V163 PolarHBondContact O-N 2.74Å; V163-T165 VanDerWaalsContact C-N 3.28Å; V163-T165 PolarHBondContact O-N 2.75Å | ||
| 164 | T | 33.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 110.8 Ų | 110.8 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | trans | -73.5 | 83.7 | 175.8 | -47.9 | 0 | 0 | 0 | 0 | 109 | T162 T166 | T162-T164 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-N 2.82Å | ||
| 165 | T | 30.8 | Very low | 42.6 | Very low | 115 Ų | 115 | 108.2 Ų | 108.2 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -62.7 | 104.5 | 169.8 | 6.7 | 0 | 0 | 0 | 0 | 108.8 | V163 V167 | V163-T165 VanDerWaalsContact C-N 3.28Å; V163-T165 PolarHBondContact O-N 2.75Å; T165-V167 PolarHBondContact O-N 3.3Å | ||
| 166 | T | 35.8 | Very low | 44.9 | Very low | 123 Ų | 123 | 107 Ų | 107 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | -66.2 | 95.1 | 173.4 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | T164 T168 | T164-T166 PolarHBondContact O-N 2.82Å; T166-T168 PolarHBondContact O-N 2.78Å | ||
| 167 | V | 30.7 | Very low | 47.5 | Very low | 136 Ų | 136 | 103 Ų | 103 | 82% | 0.824 | 61% | 0.608 | S | S | * | * | trans | -72.1 | 99 | 172 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | T165 S169 | T165-V167 PolarHBondContact O-N 3.3Å; V167-S169 PolarHBondContact O-N 2.95Å | ||
| 168 | T | 33.9 | Very low | 49.8 | Very low | 122 Ų | 122 | 99.4 Ų | 99.4 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 119.6 | 177.6 | -26 | 0 | 0 | 0 | 0 | 109.5 | T166 | T166-T168 PolarHBondContact O-N 2.78Š|
| 169 | S | 35.4 | Very low | 52 | Low | 92 Ų | 92 | 99.4 Ų | 99.4 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.5 | 171.3 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | V167 V171 | V167-S169 PolarHBondContact O-N 2.95Å; S169-V171 PolarHBondContact O-N 3.39Å |
| 170 | P | 44.8 | Very low | 54.1 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 66% | 0.656 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.4 | 178.7 | 25.5 | -34 | 0 | 0 | 0 | 110.3 | L172 | P170-L172 PolarHBondContact O-N 3.04Š|
| 171 | V | 52.3 | Low | 56.8 | Low | 42 Ų | 42 | 96.7 Ų | 96.7 | 26% | 0.255 | 58% | 0.575 | S | S | . | * | trans | -62.6 | 108.7 | -177.1 | 176.3 | 0 | 0 | 0 | 0 | 110 | S169 C173 E185 P187 | S169-V171 PolarHBondContact O-N 3.39Å; V171-C173 PolarHBondContact O-N 2.76Å; V171-E185 WeakPolarHBondContact CG1-O 3.47Å; V171-P187 HydrophobicContact CG1-CB 4.42Å; V171-P187 HydrophobicContact CG1-CG 4.45Å | ||
| 172 | L | 59.3 | Low | 59.3 | Low | 109 Ų | 109 | 91.8 Ų | 91.8 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | trans | -81.4 | 116.9 | -179.9 | -79.4 | 156.1 | 0 | 0 | 0 | 110.6 | P170 N175 | P170-L172 PolarHBondContact O-N 3.04Å; L172-N175 VanDerWaalsContact CB-OD1 3.27Å; L172-N175 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 173 | C | 68.9 | Low | 61.9 | Low | 47 Ų | 47 | 91.5 Ų | 91.5 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 139 | 163.3 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | V171 P187 D201 C202 | V171-C173 PolarHBondContact O-N 2.76Å; C173-P187 HydrophobicContact CB-CG 4.3Å; C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; C173-C202 HydrophobicContact CB-CB 4.09Å; C173-C202 WeakPolarHBondContact CB-SG 3.24Å; C173-C202 WeakPolarHBondContact SG-CA 3.34Å; C173-C202 WeakPolarHBondContact SG-CB 3.36Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.78Å |
| 174 | N | 74.8 | Confident | 64.3 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 49.1 | -174.3 | -61.5 | -32.3 | 0 | 0 | 0 | 115.1 | T203 | N174-T203 WeakPolarHBondContact CA-O 3.16Å; N174-T203 PolarHBondContact OD1-N 3.29Å |
| 175 | N | 78.7 | Confident | 66.7 | Low | 61 Ų | 61 | 83.5 Ų | 83.5 | 33% | 0.326 | 48% | 0.481 | S | S | . | . | trans | -87.6 | 145.1 | 174.4 | -100.5 | -3.2 | 0 | 0 | 0 | 113.5 | L172 I177 Y204 S205 | L172-N175 VanDerWaalsContact CB-OD1 3.27Å; L172-N175 WeakPolarHBondContact CB-OD1 3.32Å; N175-I177 HydrophobicContact CB-CG1 4.33Å; N175-Y204 HydrophobicContact CB-CD1 4.19Å; N175-Y204 WeakPolarHBondContact O-CA 3.44Å; N175-S205 PolarHBondContact O-N 3.22Å | ||
| 176 | N | 83.6 | Confident | 68.9 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.3 | 166.2 | -175.8 | 39.8 | 0 | 0 | 0 | 109.6 | S205 | N176-S205 CarbonylContact C-O 3.4Å; N176-S205 WeakPolarHBondContact CA-O 3.43Å; N176-S205 WeakPolarHBondContact CA-OG 3.3Å; N176-S205 WeakPolarHBondContact CB-OG 3.39Å; N176-S205 VanDerWaalsContact CG-OG 3.31Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 PolarHBondContact OD1-OG 2.74Å |
| 177 | I | 84.9 | Confident | 70.6 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.9 | -165.8 | -57.6 | 173.3 | 0 | 0 | 0 | 108.3 | N175 V184 S205 I206 H207 Y283 | N175-I177 HydrophobicContact CB-CG1 4.33Å; I177-V184 HydrophobicContact CD1-CG2 3.84Å; I177-S205 PolarHBondContact N-O 3.38Å; I177-I206 HydrophobicContact CB-CG1 4.44Å; I177-I206 HydrophobicContact CD1-CG1 4.5Å; I177-I206 CarbonylContact O-C 3.59Å; I177-I206 WeakPolarHBondContact O-CA 3.4Å; I177-H207 PolarHBondContact O-N 3.19Å; I177-Y283 HydrophobicContact CG2-CE1 4.11Å; I177-Y283 HydrophobicContact CG2-CE2 4.38Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.09Å |
| 178 | S | 85.2 | Confident | 72 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | trans | -130.8 | 21.8 | -174.9 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | H207 | S178-H207 WeakPolarHBondContact CA-O 3.46Š| ||
| 179 | E | 83.7 | Confident | 73 | Confident | 132 Ų | 132 | 70.1 Ų | 70.1 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | trans | -85 | 161.2 | 175.7 | -64.6 | 168.5 | 156.6 | 0 | 0 | 110.1 | ||||
| 180 | G | 80 | Confident | 73.7 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.7 | -22.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q284 A285 | G180-Q284 CarbonylContact O-C 3.45Å; G180-A285 VanDerWaalsContact O-CB 3.3Å; G180-A285 WeakPolarHBondContact O-CB 3.02Å; G180-A285 PolarHBondContact O-N 2.67Å |
| 181 | E | 89 | Confident | 73.9 | Confident | 134 Ų | 134 | 72 Ų | 72 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158.6 | -178.8 | 61.8 | -175.7 | -174.5 | 0 | 0 | 109.4 | Y283 Q284 | E181-Y283 CarbonylContact C-O 3.59Å; E181-Y283 VanDerWaalsContact CA-O 3.28Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 3.13Å; E181-Q284 HydrophobicContact CB-CB 4.44Å |
| 182 | G | 89.1 | Confident | 73.6 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 14% | 0.144 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -160.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H282 Y283 | G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.87Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.48Å; G182-Y283 PolarHBondContact N-O 2.9Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.44Å; G182-Y283 PolarHBondContact O-N 3.25Å |
| 183 | Y | 88.2 | Confident | 73.2 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.7 | -177.1 | -58.3 | -81.7 | 0 | 0 | 0 | 111.6 | R280 I281 H282 | Y183-R280 HydrophobicContact CD1-CG 4.47Å; Y183-R280 VanDerWaalsContact CG-NH2 3.3Å; Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.4Å; Y183-H282 HydrophobicContact CD1-CB 3.99Å; Y183-H282 AromaticContact CD1-CD2 3.93Å; Y183-H282 HydrophobicContact CE1-CB 3.75Å; Y183-H282 AromaticContact CE1-CD2 3.38Å; Y183-H282 WeakPolarHBondContact CE1-CD2 2.97Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.57Å |
| 184 | V | 87.7 | Confident | 72.3 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.018 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.7 | 164 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | I177 Y204 I206 L266 F279 I281 Y283 | I177-V184 HydrophobicContact CD1-CG2 3.84Å; V184-Y204 HydrophobicContact CG1-CD1 3.58Å; V184-Y204 HydrophobicContact CG1-CD2 3.97Å; V184-Y204 HydrophobicContact CG1-CE1 3.82Å; V184-Y204 HydrophobicContact CG1-CE2 4.23Å; V184-Y204 HydrophobicContact CG1-CG 3.64Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 4.49Å; V184-L266 HydrophobicContact CB-CD1 4.1Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.09Å; V184-F279 HydrophobicContact CG1-CE2 4.14Å; V184-I281 PolarHBondContact N-O 2.81Å; V184-I281 PolarHBondContact O-N 2.99Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.32Å |
| 185 | E | 83.9 | Confident | 71 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.5 | -174.2 | -63.6 | 179.8 | -135.5 | 0 | 0 | 109.8 | V171 Y204 F279 R280 | V171-E185 WeakPolarHBondContact CG1-O 3.47Å; E185-Y204 PolarHBondContact O-OH 2.63Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; E185-R280 HydrophobicContact CG-CG 4.16Å; E185-R280 IonicContact OE1-CZ 2.74Å; E185-R280 IonicContact OE1-NH1 2.72Å; E185-R280 PolarHBondContact OE1-NH1 2.98Å; E185-R280 IonicContact OE1-NH2 2.75Å; E185-R280 PolarHBondContact OE1-NH2 2.8Å; E185-R280 IonicContact OE2-CZ 3.84Å; E185-R280 IonicContact OE2-NH1 3.17Å; E185-R280 PolarHBondContact OE2-NH1 2.69Å |
| 186 | S | 77 | Confident | 69.6 | Low | 27 Ų | 27 | 81 Ų | 81 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -64 | 144.4 | 172.6 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | D188 G278 F279 | S186-D188 PolarHBondContact O-N 2.92Å; S186-G278 WeakPolarHBondContact OG-CA 2.9Å; S186-F279 PolarHBondContact N-O 2.85Å; S186-F279 VanDerWaalsContact N-O 3.11Å; S186-F279 PolarHBondContact OG-N 3.12Å; S186-F279 VanDerWaalsContact OG-N 3.16Å |
| 187 | P | 71.6 | Confident | 68.2 | Low | 24 Ų | 24 | 82 Ų | 82 | 16% | 0.156 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -68 | 125.2 | -174.1 | -21.6 | 34.4 | 0 | 0 | 0 | 114.8 | V171 C173 L200 Y204 | V171-P187 HydrophobicContact CG1-CB 4.42Å; V171-P187 HydrophobicContact CG1-CG 4.45Å; C173-P187 HydrophobicContact CB-CG 4.3Å; P187-L200 HydrophobicContact CG-CD2 4.23Å; P187-Y204 WeakPolarHBondContact CD-OH 3.45Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å |
| 188 | D | 60.3 | Low | 66.7 | Low | 111 Ų | 111 | 83.6 Ų | 83.6 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 132 | 176.9 | -77.2 | -46.7 | 0 | 0 | 0 | 113.5 | S186 | S186-D188 PolarHBondContact O-N 2.92Š|
| 189 | L | 54.7 | Low | 65.6 | Low | 53 Ų | 53 | 83.9 Ų | 83.9 | 28% | 0.277 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8.9 | -168.8 | -105.9 | 151.9 | 0 | 0 | 0 | 115.7 | S191 V273 P274 | L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 2.82Å; L189-V273 HydrophobicContact CD1-CG1 3.64Å; L189-V273 HydrophobicContact CD2-CG1 4.12Å; L189-V273 HydrophobicContact CG-CG1 4.47Å; L189-P274 HydrophobicContact CD1-CG 4.43Å |
| 190 | E | 50.5 | Low | 65.1 | Low | 183 Ų | 183 | 79.6 Ų | 79.6 | 86% | 0.855 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.2 | 171.7 | -60.9 | -142.8 | 132.6 | 0 | 0 | 112.9 | ||
| 191 | S | 48.9 | Very low | 65 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 34% | 0.336 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -62.3 | 130.4 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 112 | L189 A193 | L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 2.82Å; S191-A193 PolarHBondContact O-N 2.92Å; S191-A193 VanDerWaalsContact O-N 3.09Å |
| 192 | P | 46.5 | Very low | 64.7 | Low | 117 Ų | 117 | 74.4 Ų | 74.4 | 76% | 0.76 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.5 | -176.1 | 27.6 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 193 | A | 50.2 | Low | 64.5 | Low | 71 Ų | 71 | 75.6 Ų | 75.6 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S191 R195 | S191-A193 PolarHBondContact O-N 2.92Å; S191-A193 VanDerWaalsContact O-N 3.09Å; A193-R195 PolarHBondContact O-N 2.69Å |
| 194 | S | 49.4 | Very low | 64.4 | Low | 44 Ų | 44 | 70.4 Ų | 70.4 | 31% | 0.308 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -86.3 | 2.6 | -165.7 | -54.3 | 0 | 0 | 0 | 0 | 115.3 | T196 | S194-T196 PolarHBondContact O-N 3.17Š|
| 195 | R | 48.5 | Very low | 64.4 | Low | 195 Ų | 195 | 71.4 Ų | 71.4 | 74% | 0.736 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 12.7 | -172.1 | -59.8 | -172.7 | -176.8 | -172.8 | 1.8 | 115.1 | A193 | A193-R195 PolarHBondContact O-N 2.69Š|
| 196 | T | 49.3 | Very low | 64.7 | Low | 122 Ų | 122 | 68.3 Ų | 68.3 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -8.7 | -172 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | S194 | S194-T196 PolarHBondContact O-N 3.17Š|
| 197 | L | 53.8 | Low | 65.2 | Low | 123 Ų | 123 | 69.6 Ų | 69.6 | 64% | 0.644 | 39% | 0.394 | S | S | * | . | trans | -108.1 | 127.1 | 174 | -72.8 | 91.1 | 0 | 0 | 0 | 110.2 | L199 | L197-L199 VanDerWaalsContact C-N 3.34Š| ||
| 198 | G | 54.1 | Low | 65.9 | Low | 59 Ų | 59 | 68.9 Ų | 68.9 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -85.8 | -1.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P271 | G198-P271 CarbonylContact O-C 3.37Å; G198-P271 VanDerWaalsContact O-O 3.05Å |
| 199 | L | 61.8 | Low | 67 | Low | 90 Ų | 90 | 71.5 Ų | 71.5 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | trans | -140.3 | 131.6 | 177.9 | -177.4 | 143.1 | 0 | 0 | 0 | 108.3 | L197 D201 P271 | L197-L199 VanDerWaalsContact C-N 3.34Å; L199-D201 HydrophobicContact CD2-CB 4.17Å; L199-P271 HydrophobicContact CD1-CB 4.47Å | ||
| 200 | L | 73 | Confident | 68.1 | Low | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.7 | 178.9 | -153.7 | 80.9 | 0 | 0 | 0 | 108.4 | P187 F268 Q269 S270 | P187-L200 HydrophobicContact CG-CD2 4.23Å; L200-F268 HydrophobicContact CD2-CE1 4.18Å; L200-Q269 WeakPolarHBondContact O-CA 3.36Å; L200-S270 PolarHBondContact N-O 2.92Å; L200-S270 PolarHBondContact O-N 2.73Å |
| 201 | D | 78.5 | Confident | 69.3 | Low | 61 Ų | 61 | 64 Ų | 64 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 108.4 | 176.3 | -170.3 | -53.7 | 0 | 0 | 0 | 107.6 | C173 L199 H267 Q269 | C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; L199-D201 HydrophobicContact CD2-CB 4.17Å; D201-H267 IonicContact OD1-CE1 3.97Å; D201-H267 PolarHBondContact OD1-CE1 2.75Å; D201-H267 IonicContact OD1-ND1 2.69Å; D201-H267 IonicContact OD2-CE1 3.71Å; D201-H267 PolarHBondContact OD2-CE1 2.72Å; D201-Q269 PolarHBondContact OD2-NE2 2.88Å |
| 202 | C | 81.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120 | -172 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | C173 Y204 F268 | C173-C202 HydrophobicContact CB-CB 4.09Å; C173-C202 WeakPolarHBondContact CB-SG 3.24Å; C173-C202 WeakPolarHBondContact SG-CA 3.34Å; C173-C202 WeakPolarHBondContact SG-CB 3.36Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.78Å; C202-Y204 HydrophobicContact CB-CE2 3.85Å; C202-F268 PolarHBondContact N-O 2.97Å; C202-F268 PolarHBondContact O-N 3.24Å |
| 203 | T | 84.1 | Confident | 72.7 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.5 | -176 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | N174 L265 L266 H267 | N174-T203 WeakPolarHBondContact CA-O 3.16Å; N174-T203 PolarHBondContact OD1-N 3.29Å; T203-L265 HydrophobicContact CG2-CD1 3.5Å; T203-L265 HydrophobicContact CG2-CD2 4.03Å; T203-L265 HydrophobicContact CG2-CG 3.76Å; T203-L266 CarbonylContact C-O 3.59Å; T203-L266 WeakPolarHBondContact CA-O 3.37Å; T203-H267 PolarHBondContact OG1-ND1 3.24Å |
| 204 | Y | 87.5 | Confident | 74.6 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.3 | 178.8 | -53.9 | -100.6 | 0 | 0 | 0 | 109.4 | N175 V184 E185 P187 C202 L265 L266 F279 | N175-Y204 HydrophobicContact CB-CD1 4.19Å; N175-Y204 WeakPolarHBondContact O-CA 3.44Å; V184-Y204 HydrophobicContact CG1-CD1 3.58Å; V184-Y204 HydrophobicContact CG1-CD2 3.97Å; V184-Y204 HydrophobicContact CG1-CE1 3.82Å; V184-Y204 HydrophobicContact CG1-CE2 4.23Å; V184-Y204 HydrophobicContact CG1-CG 3.64Å; E185-Y204 PolarHBondContact O-OH 2.63Å; P187-Y204 WeakPolarHBondContact CD-OH 3.45Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å; C202-Y204 HydrophobicContact CB-CE2 3.85Å; Y204-L265 CarbonylContact O-C 3.45Å; Y204-L265 WeakPolarHBondContact O-CA 3.47Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.9Å; Y204-L266 PolarHBondContact O-N 2.74Å; Y204-F279 HydrophobicContact CE2-CZ 4.06Å |
| 205 | S | 87.6 | Confident | 76.5 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.7 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | N175 N176 I177 | N175-S205 PolarHBondContact O-N 3.22Å; N176-S205 CarbonylContact C-O 3.4Å; N176-S205 WeakPolarHBondContact CA-O 3.43Å; N176-S205 WeakPolarHBondContact CA-OG 3.3Å; N176-S205 WeakPolarHBondContact CB-OG 3.39Å; N176-S205 VanDerWaalsContact CG-OG 3.31Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 PolarHBondContact OD1-OG 2.74Å; I177-S205 PolarHBondContact N-O 3.38Å |
| 206 | I | 88.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.1 | 176.9 | -51 | 173.3 | 0 | 0 | 0 | 107.8 | I177 V184 I214 R263 L264 L266 Y283 | I177-I206 HydrophobicContact CB-CG1 4.44Å; I177-I206 HydrophobicContact CD1-CG1 4.5Å; I177-I206 CarbonylContact O-C 3.59Å; I177-I206 WeakPolarHBondContact O-CA 3.4Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 4.49Å; I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.76Å; I206-I214 HydrophobicContact CG2-CG1 4.14Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.22Å; I206-I214 WeakPolarHBondContact O-CD1 3.41Å; I206-R263 WeakPolarHBondContact O-CA 3.04Å; I206-L264 HydrophobicContact CB-CB 4.36Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.83Å; I206-L266 HydrophobicContact CD1-CD1 4.13Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.33Å; I206-Y283 HydrophobicContact CD1-CG 3.91Å; I206-Y283 HydrophobicContact CG2-CD2 3.7Å; I206-Y283 HydrophobicContact CG2-CE2 3.75Å; I206-Y283 HydrophobicContact CG2-CG 4.34Å |
| 207 | H | 87.5 | Confident | 80.6 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 103.2 | -170.7 | -73.5 | 4.6 | 0 | 0 | 0 | 111.3 | I177 S178 N262 | I177-H207 PolarHBondContact O-N 3.19Å; S178-H207 WeakPolarHBondContact CA-O 3.46Å; H207-N262 WeakPolarHBondContact CA-O 3.19Å |
| 208 | V | 87 | Confident | 82.3 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -97.9 | 171.6 | 179 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | I214 N262 A285 | V208-I214 HydrophobicContact CB-CG1 4.32Å; V208-I214 HydrophobicContact CG1-CD1 4.2Å; V208-I214 HydrophobicContact CG1-CG1 3.65Å; V208-I214 HydrophobicContact CG2-CD1 4.17Å; V208-I214 HydrophobicContact CG2-CG1 3.73Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.8Å; V208-N262 PolarHBondContact O-ND2 2.87Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.03Å |
| 209 | Y | 83.9 | Confident | 83.8 | Confident | 166 Ų | 166 | 39.6 Ų | 39.6 | 65% | 0.651 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -56.8 | 144.8 | 179.8 | -58.4 | -74.4 | 0 | 0 | 0 | 112.6 | Y212 | Y209-Y212 WeakPolarHBondContact O-CB 3.06Å; Y209-Y212 PolarHBondContact O-N 2.81Å |
| 210 | P | 78.2 | Confident | 84.8 | Confident | 76 Ų | 76 | 38.4 Ų | 38.4 | 49% | 0.494 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.9 | 173.4 | -23.8 | 34.2 | 0 | 0 | 0 | 111.6 | Y212 | P210-Y212 VanDerWaalsContact C-N 3.31Š|
| 211 | G | 74.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L288 G333 | G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 2.97Å; G211-G333 PolarHBondContact N-O 3.34Å |
| 212 | Y | 82.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 39.8 Ų | 39.8 | 38% | 0.384 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 152 | 169.8 | -66 | -100.6 | 0 | 0 | 0 | 110.8 | Y209 P210 N262 A285 Y286 L287 L288 | Y209-Y212 WeakPolarHBondContact O-CB 3.06Å; Y209-Y212 PolarHBondContact O-N 2.81Å; P210-Y212 VanDerWaalsContact C-N 3.31Å; Y212-N262 WeakPolarHBondContact O-CA 3.46Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.02Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; Y212-Y286 CarbonylContact C-O 3.44Å; Y212-Y286 VanDerWaalsContact CA-O 3.27Å; Y212-Y286 WeakPolarHBondContact CA-O 3.44Å; Y212-Y286 WeakPolarHBondContact CB-O 3.4Å; Y212-L287 HydrophobicContact CD1-CD1 4.05Å; Y212-L287 HydrophobicContact CD2-CD1 4.36Å; Y212-L287 HydrophobicContact CE1-CB 4.43Å; Y212-L287 HydrophobicContact CE1-CD1 3.68Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.38Å; Y212-L288 VanDerWaalsContact O-CD1 3.27Å; Y212-L288 WeakPolarHBondContact O-CD1 3.22Å |
| 213 | G | 85.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 170.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | A285 Y286 | G213-A285 CarbonylContact O-C 3.59Å; G213-A285 WeakPolarHBondContact O-CA 3.41Å; G213-Y286 VanDerWaalsContact C-CD1 3.46Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.16Å; G213-Y286 PolarHBondContact O-N 2.99Å |
| 214 | I | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.4 | -176.8 | -63.3 | 148.8 | 0 | 0 | 0 | 108.5 | I206 V208 I216 S259 L264 Y283 | I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.76Å; I206-I214 HydrophobicContact CG2-CG1 4.14Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.22Å; I206-I214 WeakPolarHBondContact O-CD1 3.41Å; V208-I214 HydrophobicContact CB-CG1 4.32Å; V208-I214 HydrophobicContact CG1-CD1 4.2Å; V208-I214 HydrophobicContact CG1-CG1 3.65Å; V208-I214 HydrophobicContact CG2-CD1 4.17Å; V208-I214 HydrophobicContact CG2-CG1 3.73Å; I214-I216 HydrophobicContact CG2-CG2 4.12Å; I214-S259 VanDerWaalsContact O-CB 3.29Å; I214-S259 WeakPolarHBondContact O-CB 3.28Å; I214-S259 PolarHBondContact O-N 3.03Å; I214-L264 HydrophobicContact CB-CB 4.11Å; I214-L264 HydrophobicContact CB-CD2 4.29Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.1Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å |
| 215 | E | 89.9 | Confident | 83.7 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138.2 | 165 | -176.6 | 173.2 | 74.2 | 0 | 0 | 108 | V256 L257 R258 Y283 Q284 Y286 | E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.4Å; E215-L257 CarbonylContact C-O 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.45Å; E215-R258 HydrophobicContact CB-CG 4.22Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 2.71Å; E215-R258 IonicContact OE2-NE 2.76Å; E215-R258 PolarHBondContact OE2-NE 2.71Å; E215-R258 IonicContact OE2-NH2 3.18Å; E215-R258 PolarHBondContact OE2-NH2 2.76Å; E215-Y283 CarbonylContact O-C 3.55Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.46Å; E215-Q284 HydrophobicContact CB-CG 4.15Å; E215-Q284 PolarHBondContact N-O 3.49Å; E215-Q284 PolarHBondContact O-N 3.44Å; E215-Q284 PolarHBondContact OE1-NE2 3.26Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å |
| 216 | I | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.1 | 169 | 60.4 | 168.4 | 0 | 0 | 0 | 110.4 | I214 V231 V256 L257 L264 L266 I281 H282 | I214-I216 HydrophobicContact CG2-CG2 4.12Å; I216-V231 HydrophobicContact CD1-CG1 3.74Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; I216-V256 CarbonylContact O-C 3.46Å; I216-V256 VanDerWaalsContact O-CA 3.31Å; I216-V256 WeakPolarHBondContact O-CA 3.36Å; I216-L257 HydrophobicContact CD1-CB 4.31Å; I216-L257 HydrophobicContact CD1-CD1 4.28Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 2.95Å; I216-L257 PolarHBondContact O-N 2.85Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.45Å; I216-L264 HydrophobicContact CG2-CD2 3.38Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.88Å; I216-H282 CarbonylContact C-O 3.57Å; I216-H282 VanDerWaalsContact CA-O 3.29Å; I216-H282 WeakPolarHBondContact CA-O 3.02Å |
| 217 | Q | 90.8 | Very high | 82.3 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121 | 171.2 | -178 | -177.3 | 21.9 | 0 | 0 | 108.4 | Q219 Q255 V256 H282 | Q217-Q219 PolarHBondContact O-N 3.12Å; Q217-Q255 WeakPolarHBondContact CA-O 3.49Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.1Å; Q217-H282 HydrophobicContact CB-CB 4.4Å; Q217-H282 PolarHBondContact N-O 3.16Å; Q217-H282 PolarHBondContact O-N 2.98Å |
| 218 | V | 89.5 | Confident | 82 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114.2 | 175 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | L221 L251 G252 G254 Q255 | V218-L221 HydrophobicContact CG1-CB 3.74Å; V218-L221 HydrophobicContact CG1-CD2 4.41Å; V218-L221 HydrophobicContact CG1-CG 4.45Å; V218-L251 HydrophobicContact CG2-CD2 3.93Å; V218-G252 VanDerWaalsContact CB-O 3.31Å; V218-G252 WeakPolarHBondContact CB-O 3.45Å; V218-G252 WeakPolarHBondContact CG1-O 3.15Å; V218-G254 PolarHBondContact O-N 3.47Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.82Å |
| 219 | Q | 86.8 | Confident | 81.9 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -46.4 | 177.6 | -66.2 | -166.7 | -39.7 | 0 | 0 | 111.6 | Q217 R280 H282 | Q217-Q219 PolarHBondContact O-N 3.12Å; Q219-R280 WeakPolarHBondContact CA-O 3.26Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.46Å; Q219-R280 PolarHBondContact N-O 2.78Å; Q219-H282 HydrophobicContact CG-CB 4.07Å |
| 220 | T | 82 | Confident | 82 | Confident | 64 Ų | 64 | 51 Ų | 51 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.1 | 170.9 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | E253 F279 R280 | T220-E253 WeakPolarHBondContact CA-OE1 3.42Å; T220-F279 WeakPolarHBondContact O-CA 3.42Å; T220-R280 PolarHBondContact N-O 3.28Å; T220-R280 VanDerWaalsContact N-O 3.15Å; T220-R280 PolarHBondContact O-N 3.35Å; T220-R280 VanDerWaalsContact OG1-CB 3.23Å; T220-R280 WeakPolarHBondContact OG1-CB 3.33Å; T220-R280 PolarHBondContact OG1-N 2.93Å |
| 221 | L | 84.9 | Confident | 82.4 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 86.6 | -177.5 | -170.4 | 73.9 | 0 | 0 | 0 | 111.6 | V218 L223 L229 L251 E253 F279 | V218-L221 HydrophobicContact CG1-CB 3.74Å; V218-L221 HydrophobicContact CG1-CD2 4.41Å; V218-L221 HydrophobicContact CG1-CG 4.45Å; L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.46Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L221-L229 HydrophobicContact CD1-CD2 3.92Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.08Å; L221-E253 HydrophobicContact CB-CG 4.14Å; L221-E253 PolarHBondContact N-OE1 2.88Å; L221-F279 HydrophobicContact CD1-CB 4.07Å |
| 222 | N | 80.3 | Confident | 83 | Confident | 99 Ų | 99 | 48.5 Ų | 48.5 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 77.9 | 177.6 | -175 | 19 | 0 | 0 | 0 | 109.9 | G276 G277 G278 | N222-G276 PolarHBondContact ND2-O 3.39Å; N222-G276 VanDerWaalsContact ND2-O 3.11Å; N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.28Å; N222-G278 PolarHBondContact N-O 2.93Å; N222-G278 PolarHBondContact O-N 3.08Å |
| 223 | L | 77.8 | Confident | 82.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | trans | -100.1 | 141.1 | 179.4 | -58.6 | -175.5 | 0 | 0 | 0 | 111.3 | L221 E227 L229 F268 F279 | L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.46Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L223-E227 HydrophobicContact CB-CB 4.41Å; L223-L229 HydrophobicContact CD1-CB 3.7Å; L223-L229 HydrophobicContact CD1-CD2 4.31Å; L223-F268 HydrophobicContact CD2-CE2 3.88Å; L223-F279 HydrophobicContact CD2-CD1 4.4Å | ||
| 224 | S | 72.7 | Confident | 82.1 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 44% | 0.441 | 23% | 0.229 | S | C | . | . | trans | -82.6 | 165.6 | 172.8 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | E226 E227 | S224-E226 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.07Å; S224-E227 PolarHBondContact N-OE2 3.3Å; S224-E227 PolarHBondContact O-N 3.03Å; S224-E227 VanDerWaalsContact OG-CD 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-OE2 2.9Å | ||
| 225 | Q | 67.3 | Low | 80.8 | Confident | 209 Ų | 209 | 45.1 Ų | 45.1 | 98% | 0.977 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.8 | -178 | -68.2 | -176.1 | -8 | 0 | 0 | 114.9 | ||
| 226 | E | 69.1 | Low | 79.1 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 1.4 | 176.1 | -62.5 | -178 | -170.6 | 0 | 0 | 112.4 | S224 P271 R272 | S224-E226 PolarHBondContact O-N 2.04Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.28Å; E226-P271 VanDerWaalsContact O-CG 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.48Å; E226-R272 IonicContact OE1-CZ 3.05Å; E226-R272 IonicContact OE1-NH1 2.72Å; E226-R272 PolarHBondContact OE1-NH1 2.6Å; E226-R272 IonicContact OE1-NH2 2.76Å; E226-R272 PolarHBondContact OE1-NH2 3Å; E226-R272 IonicContact OE2-CZ 2.8Å; E226-R272 IonicContact OE2-NE 3.29Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH1 2.94Å; E226-R272 PolarHBondContact OE2-NH1 2.92Å; E226-R272 IonicContact OE2-NH2 2.95Å; E226-R272 PolarHBondContact OE2-NH2 3.47Å |
| 227 | E | 76.9 | Confident | 77.2 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | trans | -108.7 | 132.5 | -175.4 | -72.8 | 172.4 | 131.4 | 0 | 0 | 112 | L223 S224 F268 Q269 S270 P274 | L223-E227 HydrophobicContact CB-CB 4.41Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.07Å; S224-E227 PolarHBondContact N-OE2 3.3Å; S224-E227 PolarHBondContact O-N 3.03Å; S224-E227 VanDerWaalsContact OG-CD 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-OE2 2.9Å; E227-F268 HydrophobicContact CB-CE2 4.25Å; E227-Q269 WeakPolarHBondContact CA-O 3.36Å; E227-S270 VanDerWaalsContact CG-OG 3.3Å; E227-S270 WeakPolarHBondContact CG-OG 3.45Å; E227-S270 WeakPolarHBondContact OE1-CB 3.47Å; E227-S270 PolarHBondContact OE1-OG 2.78Å; E227-P274 WeakPolarHBondContact OE1-CG 3.45Å | ||
| 228 | E | 81.5 | Confident | 75.1 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.8 | -179.5 | -170.3 | 167.3 | -145.7 | 0 | 0 | 111.4 | L230 F268 Q269 | E228-L230 HydrophobicContact CG-CD2 3.88Å; E228-L230 HydrophobicContact CG-CG 4.05Å; E228-L230 WeakPolarHBondContact OE1-CD2 3.29Å; E228-F268 WeakPolarHBondContact O-CA 3.43Å; E228-F268 WeakPolarHBondContact O-CD2 3.3Å; E228-Q269 PolarHBondContact N-O 3.34Å; E228-Q269 PolarHBondContact O-N 2.95Å |
| 229 | L | 85.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.4 | 174.5 | -179.3 | 61.6 | 0 | 0 | 0 | 108.9 | L221 L223 N247 S248 L251 H267 F268 F279 I281 | L221-L229 HydrophobicContact CD1-CD2 3.92Å; L223-L229 HydrophobicContact CD1-CB 3.7Å; L223-L229 HydrophobicContact CD1-CD2 4.31Å; L229-N247 CarbonylContact O-C 3.57Å; L229-S248 PolarHBondContact O-N 2.8Å; L229-L251 HydrophobicContact CB-CD1 4.43Å; L229-L251 HydrophobicContact CD2-CD1 4.02Å; L229-L251 HydrophobicContact CG-CD1 4.07Å; L229-H267 WeakPolarHBondContact CA-O 3.19Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.97Å; L229-F268 HydrophobicContact CD1-CD2 4.37Å; L229-F279 HydrophobicContact CD1-CE1 4.35Å; L229-F279 HydrophobicContact CD1-CZ 4.34Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.35Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; L229-I281 HydrophobicContact CD2-CD1 4.11Å |
| 230 | L | 86.4 | Confident | 72 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.8 | -178.4 | -58.8 | -177.3 | 0 | 0 | 0 | 110.8 | E228 L232 L244 N247 H267 | E228-L230 HydrophobicContact CG-CD2 3.88Å; E228-L230 HydrophobicContact CG-CG 4.05Å; E228-L230 WeakPolarHBondContact OE1-CD2 3.29Å; L230-L232 HydrophobicContact CB-CD1 4.22Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L230-L244 HydrophobicContact CB-CD1 4.16Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L230-N247 HydrophobicContact CD2-CB 3.7Å; L230-H267 HydrophobicContact CB-CB 4.42Å; L230-H267 PolarHBondContact N-O 2.88Å; L230-H267 PolarHBondContact O-N 2.87Å |
| 231 | V | 86.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | I216 L245 A246 L251 L257 L264 L266 | I216-V231 HydrophobicContact CD1-CG1 3.74Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.11Å; V231-L245 HydrophobicContact CG1-CD1 4.21Å; V231-L245 PolarHBondContact O-N 2.86Å; V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.34Å; V231-A246 PolarHBondContact O-N 2.84Å; V231-L251 HydrophobicContact CG2-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; V231-L257 HydrophobicContact CG2-CD1 4.43Å; V231-L264 HydrophobicContact CG1-CD1 3.71Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.48Å; V231-L266 HydrophobicContact CB-CD2 4.3Å; V231-L266 HydrophobicContact CG1-CD2 4.07Å; V231-L266 HydrophobicContact CG2-CD2 3.88Å |
| 232 | L | 85.4 | Confident | 70.3 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116 | -166.6 | -78.3 | 161.4 | 0 | 0 | 0 | 111 | L230 G234 P242 R243 L244 L265 H267 | L230-L232 HydrophobicContact CB-CD1 4.22Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L232-G234 PolarHBondContact O-N 2.87Å; L232-P242 HydrophobicContact CB-CB 4.2Å; L232-P242 HydrophobicContact CD2-CB 4.14Å; L232-P242 HydrophobicContact CD2-CG 4.32Å; L232-R243 CarbonylContact C-O 3.34Å; L232-L244 HydrophobicContact CD2-CB 4.23Å; L232-L244 HydrophobicContact CD2-CD1 4.1Å; L232-L244 HydrophobicContact CG-CD1 4.38Å; L232-L265 HydrophobicContact CB-CB 3.97Å; L232-L265 HydrophobicContact CB-CD2 4.48Å; L232-L265 WeakPolarHBondContact CB-O 3.41Å; L232-L265 HydrophobicContact CD1-CD2 4.3Å; L232-L265 PolarHBondContact N-O 3.43Å; L232-L265 WeakPolarHBondContact O-CB 3.47Å; L232-L265 PolarHBondContact O-N 3.15Å; L232-H267 HydrophobicContact CD1-CB 4.25Å |
| 233 | A | 80.4 | Confident | 70.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 124.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P242 R243 L245 P260 | A233-P242 VanDerWaalsContact O-CA 3.32Å; A233-P242 WeakPolarHBondContact O-CA 3.3Å; A233-R243 HydrophobicContact CB-CB 4.44Å; A233-R243 PolarHBondContact N-O 3.49Å; A233-R243 PolarHBondContact O-N 3.26Å; A233-L245 HydrophobicContact CB-CD1 4.01Å; A233-L245 HydrophobicContact CB-CD2 4Å; A233-L245 HydrophobicContact CB-CG 3.99Å; A233-P260 HydrophobicContact CB-CG 4.43Å |
| 234 | G | 69.7 | Low | 70.5 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 13% | 0.134 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 134.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L232 T261 R263 | L232-G234 PolarHBondContact O-N 2.87Å; G234-T261 WeakPolarHBondContact O-CG2 3.34Å; G234-T261 PolarHBondContact O-OG1 2.91Å; G234-R263 PolarHBondContact N-O 2.89Å |
| 235 | G | 60.9 | Low | 70.9 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 134.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S237 | G235-S237 PolarHBondContact O-N 2.98Š|
| 236 | G | 54.4 | Low | 71.6 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 19% | 0.186 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.1 | -14.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T334 | G236-T334 WeakPolarHBondContact CA-OG1 3.36Å; G236-T334 PolarHBondContact O-OG1 2.04Å |
| 237 | S | 53.4 | Low | 72.3 | Confident | 78 Ų | 78 | 51 Ų | 51 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -132.1 | 146.1 | -178 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | G235 G239 L240 | G235-S237 PolarHBondContact O-N 2.98Å; S237-G239 PolarHBondContact O-N 2.9Å; S237-L240 PolarHBondContact O-N 2.81Å |
| 238 | P | 45.2 | Very low | 72.3 | Confident | 142 Ų | 142 | 52.2 Ų | 52.2 | 92% | 0.922 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 125.7 | 179.1 | 26.5 | -34.1 | 0 | 0 | 0 | 111 | ||
| 239 | G | 53.4 | Low | 72.1 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.9 | -8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S237 | S237-G239 PolarHBondContact O-N 2.9Š|
| 240 | L | 57.6 | Low | 71.7 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 57% | 0.571 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 129.2 | 172.4 | -151.7 | 79 | 0 | 0 | 0 | 110.6 | S237 | S237-L240 PolarHBondContact O-N 2.81Š|
| 241 | A | 60.5 | Low | 71.3 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 67% | 0.669 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 145.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 242 | P | 70.7 | Confident | 71.1 | Confident | 65 Ų | 65 | 59 Ų | 59 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66 | 142.3 | 177.6 | 28.5 | -34.7 | 0 | 0 | 0 | 111.2 | L232 A233 | L232-P242 HydrophobicContact CB-CB 4.2Å; L232-P242 HydrophobicContact CD2-CB 4.14Å; L232-P242 HydrophobicContact CD2-CG 4.32Å; A233-P242 VanDerWaalsContact O-CA 3.32Å; A233-P242 WeakPolarHBondContact O-CA 3.3Å |
| 243 | R | 79.6 | Confident | 71 | Confident | 143 Ų | 143 | 64 Ų | 64 | 54% | 0.54 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.3 | -178.9 | -167.7 | -173.4 | 79.4 | 176.6 | 6.2 | 110.2 | L232 A233 L245 | L232-R243 CarbonylContact C-O 3.34Å; A233-R243 HydrophobicContact CB-CB 4.44Å; A233-R243 PolarHBondContact N-O 3.49Å; A233-R243 PolarHBondContact O-N 3.26Å; R243-L245 PolarHBondContact O-N 3.18Å |
| 244 | L | 82.5 | Confident | 71 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 133.1 | 172.4 | -169.2 | 67.4 | 0 | 0 | 0 | 110.4 | L230 L232 A246 | L230-L244 HydrophobicContact CB-CD1 4.16Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L232-L244 HydrophobicContact CD2-CB 4.23Å; L232-L244 HydrophobicContact CD2-CD1 4.1Å; L232-L244 HydrophobicContact CG-CD1 4.38Å; L244-A246 WeakPolarHBondContact CD1-O 3.38Å |
| 245 | L | 82.6 | Confident | 71.7 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -40.8 | 173.3 | -61.4 | -176.7 | 0 | 0 | 0 | 111.2 | V231 A233 R243 L264 | V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.11Å; V231-L245 HydrophobicContact CG1-CD1 4.21Å; V231-L245 PolarHBondContact O-N 2.86Å; A233-L245 HydrophobicContact CB-CD1 4.01Å; A233-L245 HydrophobicContact CB-CD2 4Å; A233-L245 HydrophobicContact CB-CG 3.99Å; R243-L245 PolarHBondContact O-N 3.18Å; L245-L264 HydrophobicContact CD1-CD1 4.01Å |
| 246 | A | 81.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 153.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V231 L244 M250 L251 L257 | V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.34Å; V231-A246 PolarHBondContact O-N 2.84Å; L244-A246 WeakPolarHBondContact CD1-O 3.38Å; A246-M250 HydrophobicContact CB-CB 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.03Å; A246-L251 HydrophobicContact CB-CG 4.19Å; A246-L257 HydrophobicContact CB-CD1 3.48Å; A246-L257 VanDerWaalsContact CB-CD1 3.48Å |
| 247 | N | 84.2 | Confident | 74.4 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 19% | 0.187 | 45% | 0.447 | C | S | . | . | trans | -113.1 | 178.7 | 167.2 | 74.1 | -19.6 | 0 | 0 | 0 | 110.4 | L229 L230 S249 M250 L251 | L229-N247 CarbonylContact O-C 3.57Å; L230-N247 HydrophobicContact CD2-CB 3.7Å; N247-S249 VanDerWaalsContact CG-OG 3.23Å; N247-S249 PolarHBondContact ND2-OG 3.05Å; N247-S249 PolarHBondContact O-N 3.41Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.94Å; N247-S249 PolarHBondContact OD1-OG 2.89Å; N247-M250 PolarHBondContact O-N 2.85Å; N247-M250 VanDerWaalsContact OD1-CG 3.32Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 3.35Å; N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3Å | ||
| 248 | S | 76.6 | Confident | 76 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -54.2 | -33.1 | -179.7 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | L229 M250 | L229-S248 PolarHBondContact O-N 2.8Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.87Å |
| 249 | S | 77.3 | Confident | 77.9 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -76.6 | -11.2 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | N247 | N247-S249 VanDerWaalsContact CG-OG 3.23Å; N247-S249 PolarHBondContact ND2-OG 3.05Å; N247-S249 PolarHBondContact O-N 3.41Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.94Å; N247-S249 PolarHBondContact OD1-OG 2.89Å |
| 250 | M | 75.6 | Confident | 79.2 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -106.5 | -0.6 | 177.1 | -65.2 | 172.7 | -160.8 | 0 | 0 | 112.6 | A246 N247 S248 | A246-M250 HydrophobicContact CB-CB 4.06Å; N247-M250 PolarHBondContact O-N 2.85Å; N247-M250 VanDerWaalsContact OD1-CG 3.32Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 3.35Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.87Å |
| 251 | L | 78.9 | Confident | 80.5 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | trans | -101.6 | 138.9 | 178.1 | -65.7 | 166.2 | 0 | 0 | 0 | 109.2 | V218 L221 L229 V231 A246 N247 L257 | V218-L251 HydrophobicContact CG2-CD2 3.93Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.08Å; L229-L251 HydrophobicContact CB-CD1 4.43Å; L229-L251 HydrophobicContact CD2-CD1 4.02Å; L229-L251 HydrophobicContact CG-CD1 4.07Å; V231-L251 HydrophobicContact CG2-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; A246-L251 HydrophobicContact CB-CD2 4.03Å; A246-L251 HydrophobicContact CB-CG 4.19Å; N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3Å; L251-L257 HydrophobicContact CD2-CD1 3.58Å | ||
| 252 | G | 82.5 | Confident | 81.7 | Confident | 28 Ų | 28 | 59 Ų | 59 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | trans | -154.2 | 161.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V218 G254 Q255 | V218-G252 VanDerWaalsContact CB-O 3.31Å; V218-G252 WeakPolarHBondContact CB-O 3.45Å; V218-G252 WeakPolarHBondContact CG1-O 3.15Å; G252-G254 PolarHBondContact O-N 2.88Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 2.8Å | ||
| 253 | E | 83.4 | Confident | 82.5 | Confident | 130 Ų | 130 | 61.1 Ų | 61.1 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 133.7 | -178 | -58.8 | -172.2 | 153.8 | 0 | 0 | 110.8 | T220 L221 Q255 | T220-E253 WeakPolarHBondContact CA-OE1 3.42Å; L221-E253 HydrophobicContact CB-CG 4.14Å; L221-E253 PolarHBondContact N-OE1 2.88Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 3.33Å |
| 254 | G | 80.3 | Confident | 82.9 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -9.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V218 G252 V256 | V218-G254 PolarHBondContact O-N 3.47Å; G252-G254 PolarHBondContact O-N 2.88Å; G254-V256 PolarHBondContact O-N 2.9Å |
| 255 | Q | 84.7 | Confident | 83.2 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | trans | -64.5 | 130.5 | 179.6 | -175.3 | 61.7 | 44.4 | 0 | 0 | 111.4 | Q217 V218 G252 E253 L257 | Q217-Q255 WeakPolarHBondContact CA-O 3.49Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.82Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 2.8Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 3.33Å; Q255-L257 HydrophobicContact CG-CG 4.39Å | ||
| 256 | V | 86.9 | Confident | 83.5 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | E215 I216 Q217 G254 | E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.4Å; I216-V256 CarbonylContact O-C 3.46Å; I216-V256 VanDerWaalsContact O-CA 3.31Å; I216-V256 WeakPolarHBondContact O-CA 3.36Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.1Å; G254-V256 PolarHBondContact O-N 2.9Å |
| 257 | L | 85.6 | Confident | 83.8 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.9 | 176.8 | -65.4 | 170.8 | 0 | 0 | 0 | 110.4 | E215 I216 V231 A246 L251 Q255 | E215-L257 CarbonylContact C-O 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.45Å; I216-L257 HydrophobicContact CD1-CB 4.31Å; I216-L257 HydrophobicContact CD1-CD1 4.28Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 2.95Å; I216-L257 PolarHBondContact O-N 2.85Å; V231-L257 HydrophobicContact CG2-CD1 4.43Å; A246-L257 HydrophobicContact CB-CD1 3.48Å; A246-L257 VanDerWaalsContact CB-CD1 3.48Å; L251-L257 HydrophobicContact CD2-CD1 3.58Å; Q255-L257 HydrophobicContact CG-CG 4.39Å |
| 258 | R | 86.9 | Confident | 83.9 | Confident | 154 Ų | 154 | 50.9 Ų | 50.9 | 58% | 0.581 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | 179.8 | -71.2 | -177.6 | -179.9 | -172.7 | -6.6 | 111.5 | E215 Y286 | E215-R258 HydrophobicContact CB-CG 4.22Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 2.71Å; E215-R258 IonicContact OE2-NE 2.76Å; E215-R258 PolarHBondContact OE2-NE 2.71Å; E215-R258 IonicContact OE2-NH2 3.18Å; E215-R258 PolarHBondContact OE2-NH2 2.76Å; R258-Y286 HydrophobicContact CB-CE1 3.82Å; R258-Y286 HydrophobicContact CG-CD1 4.42Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å |
| 259 | S | 84.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121 | 172 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | I214 T261 R263 Y286 | I214-S259 VanDerWaalsContact O-CB 3.29Å; I214-S259 WeakPolarHBondContact O-CB 3.28Å; I214-S259 PolarHBondContact O-N 3.03Å; S259-T261 PolarHBondContact O-N 2.9Å; S259-T261 PolarHBondContact OG-O 2.87Å; S259-R263 PolarHBondContact OG-O 3.34Å; S259-Y286 PolarHBondContact O-OH 2.92Å |
| 260 | P | 80.7 | Confident | 84.1 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -74.5 | 17.3 | 178.1 | 36 | -39.4 | 0 | 0 | 0 | 112.8 | A233 | A233-P260 HydrophobicContact CB-CG 4.43Š|
| 261 | T | 85.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -143.1 | 158.6 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | G234 S259 R263 T334 R335 | G234-T261 WeakPolarHBondContact O-CG2 3.34Å; G234-T261 PolarHBondContact O-OG1 2.91Å; S259-T261 PolarHBondContact O-N 2.9Å; S259-T261 PolarHBondContact OG-O 2.87Å; T261-R263 PolarHBondContact O-N 2.92Å; T261-R263 PolarHBondContact OG1-O 2.88Å; T261-T334 WeakPolarHBondContact CA-O 3.39Å; T261-T334 VanDerWaalsContact CB-O 3.32Å; T261-T334 WeakPolarHBondContact CB-O 3.44Å; T261-R335 HydrophobicContact CG2-CG 3.66Å |
| 262 | N | 85.4 | Confident | 82.9 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -67.9 | 9.9 | 174.1 | 83 | -51.1 | 0 | 0 | 0 | 114.5 | H207 V208 Y212 T334 | H207-N262 WeakPolarHBondContact CA-O 3.19Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.8Å; V208-N262 PolarHBondContact O-ND2 2.87Å; Y212-N262 WeakPolarHBondContact O-CA 3.46Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.02Å; N262-T334 PolarHBondContact N-O 3.06Å; N262-T334 WeakPolarHBondContact OD1-CA 3.37Å; N262-T334 WeakPolarHBondContact OD1-CB 3.39Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.36Å |
| 263 | R | 87.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 54.2 Ų | 54.2 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.1 | -178.4 | -65.7 | -172.4 | 166.9 | 172.7 | -4.7 | 110.5 | I206 G234 S259 T261 | I206-R263 WeakPolarHBondContact O-CA 3.04Å; G234-R263 PolarHBondContact N-O 2.89Å; S259-R263 PolarHBondContact OG-O 3.34Å; T261-R263 PolarHBondContact O-N 2.92Å; T261-R263 PolarHBondContact OG1-O 2.88Å |
| 264 | L | 88.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148.3 | 171.6 | -171.1 | 59.1 | 0 | 0 | 0 | 109.1 | I206 I214 I216 V231 L245 L266 | I206-L264 HydrophobicContact CB-CB 4.36Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.83Å; I214-L264 HydrophobicContact CB-CB 4.11Å; I214-L264 HydrophobicContact CB-CD2 4.29Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.1Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.45Å; I216-L264 HydrophobicContact CG2-CD2 3.38Å; V231-L264 HydrophobicContact CG1-CD1 3.71Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.48Å; L245-L264 HydrophobicContact CD1-CD1 4.01Å; L264-L266 HydrophobicContact CD2-CD2 4.3Å; L264-L266 HydrophobicContact CG-CD2 4.37Å |
| 265 | L | 89 | Confident | 79.1 | Confident | 46 Ų | 46 | 59 Ų | 59 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.2 | 176.4 | -164.8 | 76.5 | 0 | 0 | 0 | 107.5 | T203 Y204 L232 | T203-L265 HydrophobicContact CG2-CD1 3.5Å; T203-L265 HydrophobicContact CG2-CD2 4.03Å; T203-L265 HydrophobicContact CG2-CG 3.76Å; Y204-L265 CarbonylContact O-C 3.45Å; Y204-L265 WeakPolarHBondContact O-CA 3.47Å; L232-L265 HydrophobicContact CB-CB 3.97Å; L232-L265 HydrophobicContact CB-CD2 4.48Å; L232-L265 WeakPolarHBondContact CB-O 3.41Å; L232-L265 HydrophobicContact CD1-CD2 4.3Å; L232-L265 PolarHBondContact N-O 3.43Å; L232-L265 WeakPolarHBondContact O-CB 3.47Å; L232-L265 PolarHBondContact O-N 3.15Å |
| 266 | L | 88.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.8 | 173.6 | -56.9 | 175.7 | 0 | 0 | 0 | 107.1 | V184 T203 Y204 I206 I216 V231 L264 I281 | V184-L266 HydrophobicContact CB-CD1 4.1Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.09Å; T203-L266 CarbonylContact C-O 3.59Å; T203-L266 WeakPolarHBondContact CA-O 3.37Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.9Å; Y204-L266 PolarHBondContact O-N 2.74Å; I206-L266 HydrophobicContact CD1-CD1 4.13Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; V231-L266 HydrophobicContact CB-CD2 4.3Å; V231-L266 HydrophobicContact CG1-CD2 4.07Å; V231-L266 HydrophobicContact CG2-CD2 3.88Å; L264-L266 HydrophobicContact CD2-CD2 4.3Å; L264-L266 HydrophobicContact CG-CD2 4.37Å; L266-I281 HydrophobicContact CD1-CD1 4.24Å; L266-I281 HydrophobicContact CD1-CG2 4.49Å |
| 267 | H | 87.6 | Confident | 76.6 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.9 | -179.5 | 176.6 | 76.1 | 0 | 0 | 0 | 109.1 | D201 T203 L229 L230 L232 | D201-H267 IonicContact OD1-CE1 3.97Å; D201-H267 PolarHBondContact OD1-CE1 2.75Å; D201-H267 IonicContact OD1-ND1 2.69Å; D201-H267 IonicContact OD2-CE1 3.71Å; D201-H267 PolarHBondContact OD2-CE1 2.72Å; T203-H267 PolarHBondContact OG1-ND1 3.24Å; L229-H267 WeakPolarHBondContact CA-O 3.19Å; L230-H267 HydrophobicContact CB-CB 4.42Å; L230-H267 PolarHBondContact N-O 2.88Å; L230-H267 PolarHBondContact O-N 2.87Å; L232-H267 HydrophobicContact CD1-CB 4.25Å |
| 268 | F | 86 | Confident | 76.1 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.1 | -177.7 | 175.2 | -116.9 | 0 | 0 | 0 | 110.1 | L200 C202 L223 E227 E228 L229 F279 | L200-F268 HydrophobicContact CD2-CE1 4.18Å; C202-F268 PolarHBondContact N-O 2.97Å; C202-F268 PolarHBondContact O-N 3.24Å; L223-F268 HydrophobicContact CD2-CE2 3.88Å; E227-F268 HydrophobicContact CB-CE2 4.25Å; E228-F268 WeakPolarHBondContact O-CA 3.43Å; E228-F268 WeakPolarHBondContact O-CD2 3.3Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.97Å; L229-F268 HydrophobicContact CD1-CD2 4.37Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.34Å; F268-F279 AromaticContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD2-CD1 4.24Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.37Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 HydrophobicContact CG-CD1 4.47Å; F268-F279 AromaticContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CZ 4.42Å |
| 269 | Q | 82.7 | Confident | 75.9 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128 | 178.1 | -168.2 | 170.9 | 96.7 | 0 | 0 | 110.6 | L200 D201 E227 E228 | L200-Q269 WeakPolarHBondContact O-CA 3.36Å; D201-Q269 PolarHBondContact OD2-NE2 2.88Å; E227-Q269 WeakPolarHBondContact CA-O 3.36Å; E228-Q269 PolarHBondContact N-O 3.34Å; E228-Q269 PolarHBondContact O-N 2.95Å |
| 270 | S | 75.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 116.5 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | L200 E227 R272 | L200-S270 PolarHBondContact N-O 2.92Å; L200-S270 PolarHBondContact O-N 2.73Å; E227-S270 VanDerWaalsContact CG-OG 3.3Å; E227-S270 WeakPolarHBondContact CG-OG 3.45Å; E227-S270 WeakPolarHBondContact OE1-CB 3.47Å; E227-S270 PolarHBondContact OE1-OG 2.78Å; S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-R272 PolarHBondContact OG-O 2.91Å; S270-R272 VanDerWaalsContact OG-O 3.07Å |
| 271 | P | 67.2 | Low | 76.5 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -85.7 | 9.3 | -174.6 | 35.5 | -37.2 | 0 | 0 | 0 | 113.7 | G198 L199 E226 | G198-P271 CarbonylContact O-C 3.37Å; G198-P271 VanDerWaalsContact O-O 3.05Å; L199-P271 HydrophobicContact CD1-CB 4.47Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.28Å; E226-P271 VanDerWaalsContact O-CG 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.48Å |
| 272 | R | 63.2 | Low | 76.8 | Confident | 158 Ų | 158 | 50.9 Ų | 50.9 | 60% | 0.596 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -146.6 | 171.2 | 174.1 | -63.8 | -170.2 | -174.8 | 130 | 19.8 | 109.4 | E226 S270 P274 | E226-R272 IonicContact OE1-CZ 3.05Å; E226-R272 IonicContact OE1-NH1 2.72Å; E226-R272 PolarHBondContact OE1-NH1 2.6Å; E226-R272 IonicContact OE1-NH2 2.76Å; E226-R272 PolarHBondContact OE1-NH2 3Å; E226-R272 IonicContact OE2-CZ 2.8Å; E226-R272 IonicContact OE2-NE 3.29Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH1 2.94Å; E226-R272 PolarHBondContact OE2-NH1 2.92Å; E226-R272 IonicContact OE2-NH2 2.95Å; E226-R272 PolarHBondContact OE2-NH2 3.47Å; S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-R272 PolarHBondContact OG-O 2.91Å; S270-R272 VanDerWaalsContact OG-O 3.07Å; R272-P274 VanDerWaalsContact O-CD 3.26Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å |
| 273 | V | 56.8 | Low | 77.1 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | trans | -69.3 | 117.6 | 170.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | L189 | L189-V273 HydrophobicContact CD1-CG1 3.64Å; L189-V273 HydrophobicContact CD2-CG1 4.12Å; L189-V273 HydrophobicContact CG-CG1 4.47Å | ||
| 274 | P | 55.2 | Low | 77.3 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | trans | -57 | 137 | 180 | -26 | 34.4 | 0 | 0 | 0 | 112.4 | L189 E227 R272 | L189-P274 HydrophobicContact CD1-CG 4.43Å; E227-P274 WeakPolarHBondContact OE1-CG 3.45Å; R272-P274 VanDerWaalsContact O-CD 3.26Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å | ||
| 275 | R | 52.6 | Low | 77.4 | Confident | 245 Ų | 245 | 50.5 Ų | 50.5 | 93% | 0.925 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -110.6 | 68.3 | -179.6 | -72.2 | -172.9 | 173.7 | -176.2 | -1.3 | 111.4 | G277 | R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.94Å |
| 276 | G | 55.2 | Low | 77.2 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 78 | 7.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N222 | N222-G276 PolarHBondContact ND2-O 3.39Å; N222-G276 VanDerWaalsContact ND2-O 3.11Å |
| 277 | G | 63.8 | Low | 76.9 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | trans | -82.6 | 153 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N222 R275 | N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.28Å; R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.94Å | ||
| 278 | G | 75.1 | Confident | 76.5 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S186 N222 | S186-G278 WeakPolarHBondContact OG-CA 2.9Å; N222-G278 PolarHBondContact N-O 2.93Å; N222-G278 PolarHBondContact O-N 3.08Å |
| 279 | F | 84.3 | Confident | 76.4 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.1 | 178.3 | 66.9 | -93.1 | 0 | 0 | 0 | 111.4 | V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281 | V184-F279 HydrophobicContact CG1-CE2 4.14Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; S186-F279 PolarHBondContact N-O 2.85Å; S186-F279 VanDerWaalsContact N-O 3.11Å; S186-F279 PolarHBondContact OG-N 3.12Å; S186-F279 VanDerWaalsContact OG-N 3.16Å; Y204-F279 HydrophobicContact CE2-CZ 4.06Å; T220-F279 WeakPolarHBondContact O-CA 3.42Å; L221-F279 HydrophobicContact CD1-CB 4.07Å; L223-F279 HydrophobicContact CD2-CD1 4.4Å; L229-F279 HydrophobicContact CD1-CE1 4.35Å; L229-F279 HydrophobicContact CD1-CZ 4.34Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.35Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.34Å; F268-F279 AromaticContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD2-CD1 4.24Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.37Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 HydrophobicContact CG-CD1 4.47Å; F268-F279 AromaticContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CZ 4.42Å; F279-I281 HydrophobicContact CD2-CD1 4.02Å; F279-I281 HydrophobicContact CD2-CG1 4.15Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å |
| 280 | R | 87.2 | Confident | 76.4 | Confident | 72 Ų | 72 | 51.6 Ų | 51.6 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115.2 | 170.8 | -174.1 | -179 | -167.4 | 81 | 27.7 | 108.6 | Y183 E185 Q219 T220 | Y183-R280 HydrophobicContact CD1-CG 4.47Å; Y183-R280 VanDerWaalsContact CG-NH2 3.3Å; E185-R280 HydrophobicContact CG-CG 4.16Å; E185-R280 IonicContact OE1-CZ 2.74Å; E185-R280 IonicContact OE1-NH1 2.72Å; E185-R280 PolarHBondContact OE1-NH1 2.98Å; E185-R280 IonicContact OE1-NH2 2.75Å; E185-R280 PolarHBondContact OE1-NH2 2.8Å; E185-R280 IonicContact OE2-CZ 3.84Å; E185-R280 IonicContact OE2-NH1 3.17Å; E185-R280 PolarHBondContact OE2-NH1 2.69Å; Q219-R280 WeakPolarHBondContact CA-O 3.26Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.46Å; Q219-R280 PolarHBondContact N-O 2.78Å; T220-R280 PolarHBondContact N-O 3.28Å; T220-R280 VanDerWaalsContact N-O 3.15Å; T220-R280 PolarHBondContact O-N 3.35Å; T220-R280 VanDerWaalsContact OG1-CB 3.23Å; T220-R280 WeakPolarHBondContact OG1-CB 3.33Å; T220-R280 PolarHBondContact OG1-N 2.93Å |
| 281 | I | 89.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.5 | 178 | -69.3 | 172.7 | 0 | 0 | 0 | 108.3 | Y183 V184 I216 L229 L266 F279 | Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.4Å; V184-I281 PolarHBondContact N-O 2.81Å; V184-I281 PolarHBondContact O-N 2.99Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.88Å; L229-I281 HydrophobicContact CD2-CD1 4.11Å; L266-I281 HydrophobicContact CD1-CD1 4.24Å; L266-I281 HydrophobicContact CD1-CG2 4.49Å; F279-I281 HydrophobicContact CD2-CD1 4.02Å; F279-I281 HydrophobicContact CD2-CG1 4.15Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å |
| 282 | H | 92.3 | Very high | 77.3 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 140.4 | 164 | -177.8 | -122.8 | 0 | 0 | 0 | 108.6 | G182 Y183 I216 Q217 Q219 | G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.87Å; Y183-H282 HydrophobicContact CD1-CB 3.99Å; Y183-H282 AromaticContact CD1-CD2 3.93Å; Y183-H282 HydrophobicContact CE1-CB 3.75Å; Y183-H282 AromaticContact CE1-CD2 3.38Å; Y183-H282 WeakPolarHBondContact CE1-CD2 2.97Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.57Å; I216-H282 CarbonylContact C-O 3.57Å; I216-H282 VanDerWaalsContact CA-O 3.29Å; I216-H282 WeakPolarHBondContact CA-O 3.02Å; Q217-H282 HydrophobicContact CB-CB 4.4Å; Q217-H282 PolarHBondContact N-O 3.16Å; Q217-H282 PolarHBondContact O-N 2.98Å; Q219-H282 HydrophobicContact CG-CB 4.07Å |
| 283 | Y | 92.3 | Very high | 78.3 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.3 | 172.2 | 76.6 | -88.2 | 0 | 0 | 0 | 110.3 | I177 E181 G182 V184 I206 I214 E215 | I177-Y283 HydrophobicContact CG2-CE1 4.11Å; I177-Y283 HydrophobicContact CG2-CE2 4.38Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.09Å; E181-Y283 CarbonylContact C-O 3.59Å; E181-Y283 VanDerWaalsContact CA-O 3.28Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 3.13Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.48Å; G182-Y283 PolarHBondContact N-O 2.9Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.44Å; G182-Y283 PolarHBondContact O-N 3.25Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.32Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.33Å; I206-Y283 HydrophobicContact CD1-CG 3.91Å; I206-Y283 HydrophobicContact CG2-CD2 3.7Å; I206-Y283 HydrophobicContact CG2-CE2 3.75Å; I206-Y283 HydrophobicContact CG2-CG 4.34Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å; E215-Y283 CarbonylContact O-C 3.55Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.46Å |
| 284 | Q | 91.6 | Very high | 79.5 | Confident | 75 Ų | 75 | 50 Ų | 50 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.6 | 176.6 | 63.3 | -175.4 | 4.8 | 0 | 0 | 111.8 | G180 E181 E215 Y286 | G180-Q284 CarbonylContact O-C 3.45Å; E181-Q284 HydrophobicContact CB-CB 4.44Å; E215-Q284 HydrophobicContact CB-CG 4.15Å; E215-Q284 PolarHBondContact N-O 3.49Å; E215-Q284 PolarHBondContact O-N 3.44Å; E215-Q284 PolarHBondContact OE1-NE2 3.26Å; Q284-Y286 PolarHBondContact O-N 2.91Å |
| 285 | A | 89 | Confident | 80.7 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G180 V208 Y212 G213 | G180-A285 VanDerWaalsContact O-CB 3.3Å; G180-A285 WeakPolarHBondContact O-CB 3.02Å; G180-A285 PolarHBondContact O-N 2.67Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.03Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; G213-A285 CarbonylContact O-C 3.59Å; G213-A285 WeakPolarHBondContact O-CA 3.41Å |
| 286 | Y | 85.1 | Confident | 82.3 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.3 | 170 | 81.7 | -87.1 | 0 | 0 | 0 | 109.9 | Y212 G213 E215 R258 S259 Q284 L288 | Y212-Y286 CarbonylContact C-O 3.44Å; Y212-Y286 VanDerWaalsContact CA-O 3.27Å; Y212-Y286 WeakPolarHBondContact CA-O 3.44Å; Y212-Y286 WeakPolarHBondContact CB-O 3.4Å; G213-Y286 VanDerWaalsContact C-CD1 3.46Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.16Å; G213-Y286 PolarHBondContact O-N 2.99Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å; R258-Y286 HydrophobicContact CB-CE1 3.82Å; R258-Y286 HydrophobicContact CG-CD1 4.42Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å; S259-Y286 PolarHBondContact O-OH 2.92Å; Q284-Y286 PolarHBondContact O-N 2.91Å; Y286-L288 HydrophobicContact CE2-CD2 3.94Å; Y286-L288 PolarHBondContact O-N 2.98Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.46Å |
| 287 | L | 82.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.5 | -179.2 | -164.4 | 60.3 | 0 | 0 | 0 | 110 | Y212 H307 | Y212-L287 HydrophobicContact CD1-CD1 4.05Å; Y212-L287 HydrophobicContact CD2-CD1 4.36Å; Y212-L287 HydrophobicContact CE1-CB 4.43Å; Y212-L287 HydrophobicContact CE1-CD1 3.68Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.38Å; L287-H307 HydrophobicContact CD2-CB 3.87Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.46Å; L287-H307 HydrophobicContact CG-CB 4.3Å; L287-H307 VanDerWaalsContact CG-CD2 3.48Å; L287-H307 WeakPolarHBondContact CG-CD2 3.19Å |
| 288 | L | 80.4 | Confident | 84.2 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | trans | -82 | 140.5 | 172.1 | -73.3 | 167.1 | 0 | 0 | 0 | 109.4 | G211 Y212 Y286 P308 P336 | G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 2.97Å; Y212-L288 VanDerWaalsContact O-CD1 3.27Å; Y212-L288 WeakPolarHBondContact O-CD1 3.22Å; Y286-L288 HydrophobicContact CE2-CD2 3.94Å; Y286-L288 PolarHBondContact O-N 2.98Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.46Å; L288-P308 WeakPolarHBondContact O-CD 3.27Å; L288-P336 HydrophobicContact CB-CG 3.64Å | ||
| 289 | S | 83 | Confident | 84.7 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | trans | -109.8 | 150.5 | 174.5 | -32.3 | 0 | 0 | 0 | 0 | 110 | L306 H307 | S289-L306 CarbonylContact C-O 3.46Å; S289-L306 VanDerWaalsContact CA-O 3.32Å; S289-L306 WeakPolarHBondContact CA-O 3.46Å; S289-H307 PolarHBondContact OG-CD2 3.01Å; S289-H307 PolarHBondContact OG-NE2 3.37Å | ||
| 290 | C | 83.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 150 | 159.6 | -75.4 | 0 | 0 | 0 | 0 | 110 | L306 C330 S337 W338 | C290-L306 PolarHBondContact N-O 2.63Å; C290-C330 HydrophobicContact CB-CB 3.91Å; C290-C330 WeakPolarHBondContact CB-SG 3.41Å; C290-C330 WeakPolarHBondContact SG-CA 3Å; C290-C330 WeakPolarHBondContact SG-CB 3.41Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.4Å; C290-S337 VanDerWaalsContact SG-C 3.5Å; C290-S337 PolarHBondContact SG-N 3.37Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CH2 4.48Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å |
| 291 | G | 80.7 | Confident | 84.8 | Confident | 56 Ų | 56 | 49 Ų | 49 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 140.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | W338 | G291-W338 PolarHBondContact O-NE1 3.49Š|
| 292 | F | 81.2 | Confident | 84.6 | Confident | 122 Ų | 122 | 51.8 Ų | 51.8 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -56 | 125.4 | 176 | -167.5 | -83.1 | 0 | 0 | 0 | 109.2 | V301 V303 L306 | F292-V301 HydrophobicContact CE1-CG1 3.83Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; F292-V303 HydrophobicContact CD2-CG2 4.36Å; F292-V303 HydrophobicContact CE2-CB 4.3Å; F292-V303 HydrophobicContact CE2-CG2 3.72Å; F292-V303 HydrophobicContact CZ-CG2 3.92Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.08Å |
| 293 | P | 84.2 | Confident | 84.3 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.8 | -174.9 | 26 | -33 | 0 | 0 | 0 | 110.4 | R295 V301 V303 A312 F314 W338 T342 | P293-R295 PolarHBondContact O-N 2.77Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.89Å; P293-V303 HydrophobicContact CG-CG2 4.05Å; P293-A312 HydrophobicContact CG-CB 3.9Å; P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.85Å; P293-F314 HydrophobicContact CG-CZ 4.21Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; P293-T342 HydrophobicContact CB-CG2 4.27Å |
| 294 | P | 81.5 | Confident | 83.9 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 137.4 | 173.7 | 26.3 | -33.7 | 0 | 0 | 0 | 109.7 | T342 | P294-T342 HydrophobicContact CG-CG2 3.92Š|
| 295 | R | 80.8 | Confident | 83.2 | Confident | 177 Ų | 177 | 57 Ų | 57 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 135.2 | 170.3 | -74.8 | -179.1 | -69.8 | -161.2 | -0.1 | 109.2 | P293 D300 V301 | P293-R295 PolarHBondContact O-N 2.77Å; R295-D300 WeakPolarHBondContact CD-OD1 3.44Å; R295-D300 WeakPolarHBondContact CG-OD1 3.38Å; R295-V301 HydrophobicContact CG-CG1 3.92Å |
| 296 | P | 85.3 | Confident | 82.8 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 156.6 | 173.9 | 28.9 | -33.5 | 0 | 0 | 0 | 110.1 | H298 F314 | P296-H298 PolarHBondContact O-N 3.42Å; P296-F314 HydrophobicContact CG-CD1 4.43Å |
| 297 | A | 77.6 | Confident | 82.6 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 133.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | C345 | A297-C345 WeakPolarHBondContact O-CB 3.2Š|
| 298 | H | 81.9 | Confident | 82.7 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 44.6 | -178.5 | -40.9 | -63.6 | 0 | 0 | 0 | 114 | P296 D317 Y320 C345 E365 | P296-H298 PolarHBondContact O-N 3.42Å; H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.3Å; H298-D317 PolarHBondContact O-N 2.87Å; H298-Y320 HydrophobicContact CB-CD1 3.74Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.54Å; H298-Y320 HydrophobicContact CB-CE2 3.62Å; H298-Y320 HydrophobicContact CB-CG 3.88Å; H298-Y320 VanDerWaalsContact CB-CZ 3.46Å; H298-Y320 AromaticContact CD2-CE1 3.24Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.37Å; H298-Y320 AromaticContact CD2-CZ 3.5Å; H298-Y320 VanDerWaalsContact CD2-CZ 3.5Å; H298-Y320 PolarHBondContact CD2-OH 2.91Å; H298-Y320 PolarHBondContact CE1-OH 3.43Å; H298-Y320 AromaticContact CG-CE1 3.46Å; H298-Y320 VanDerWaalsContact CG-CE1 3.46Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.32Å; H298-Y320 AromaticContact ND1-CZ 3.85Å; H298-Y320 PolarHBondContact ND1-OH 2.04Å; H298-Y320 PolarHBondContact NE2-OH 2.93Å; H298-C345 WeakPolarHBondContact O-CB 3.48Å; H298-E365 IonicContact CD2-OE1 3.54Å; H298-E365 IonicContact CE1-OE1 3.13Å; H298-E365 IonicContact NE2-OE1 3.27Å; H298-E365 PolarHBondContact NE2-OE1 3.35Å |
| 299 | G | 85.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -177.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | H315 D317 | G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.39Å; G299-D317 PolarHBondContact N-OD2 3.02Å |
| 300 | D | 83.9 | Confident | 83 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 167.4 | -178.7 | -164.7 | 25.2 | 0 | 0 | 0 | 112.2 | R295 H315 | R295-D300 WeakPolarHBondContact CD-OD1 3.44Å; R295-D300 WeakPolarHBondContact CG-OD1 3.38Å; D300-H315 PolarHBondContact N-O 2.04Å; D300-H315 PolarHBondContact O-N 2.99Å |
| 301 | V | 89 | Confident | 83.4 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 115.1 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | F292 P293 R295 V303 A312 F314 | F292-V301 HydrophobicContact CE1-CG1 3.83Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.89Å; R295-V301 HydrophobicContact CG-CG1 3.92Å; V301-V303 HydrophobicContact CG2-CG2 4.18Å; V301-A312 HydrophobicContact CG2-CB 3.92Å; V301-F314 HydrophobicContact CB-CD1 3.81Å; V301-F314 HydrophobicContact CB-CE1 3.83Å; V301-F314 HydrophobicContact CB-CG 4.45Å; V301-F314 HydrophobicContact CB-CZ 4.47Å; V301-F314 HydrophobicContact CG2-CD1 3.67Å; V301-F314 HydrophobicContact CG2-CD2 4.15Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.97Å; V301-F314 HydrophobicContact CG2-CG 4Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å |
| 302 | S | 86.8 | Confident | 83.8 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.7 | 170.5 | 64.4 | 0 | 0 | 0 | 0 | 109.6 | T313 H315 | S302-T313 PolarHBondContact N-O 2.89Å; S302-T313 PolarHBondContact O-N 3.4Å; S302-T313 PolarHBondContact O-OG1 2.79Å; S302-T313 VanDerWaalsContact O-OG1 3.14Å; S302-T313 PolarHBondContact OG-OG1 2.95Å; S302-H315 PolarHBondContact OG-CE1 2.79Å |
| 303 | V | 84.8 | Confident | 84.3 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.1 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | F292 P293 V301 D305 L306 T311 A312 W338 | F292-V303 HydrophobicContact CD2-CG2 4.36Å; F292-V303 HydrophobicContact CE2-CB 4.3Å; F292-V303 HydrophobicContact CE2-CG2 3.72Å; F292-V303 HydrophobicContact CZ-CG2 3.92Å; P293-V303 HydrophobicContact CG-CG2 4.05Å; V301-V303 HydrophobicContact CG2-CG2 4.18Å; V303-D305 WeakPolarHBondContact CG1-O 3.07Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.22Å; V303-T311 WeakPolarHBondContact CA-O 3.5Å; V303-A312 HydrophobicContact CG2-CB 4.02Å; V303-W338 HydrophobicContact CG1-CH2 4.39Å |
| 304 | T | 84.5 | Confident | 84.7 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 63% | 0.632 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.5 | -45.7 | 179 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | T311 | T304-T311 WeakPolarHBondContact CG2-OG1 3.06Å; T304-T311 PolarHBondContact N-O 2.84Å; T304-T311 PolarHBondContact OG1-N 2.92Å; T304-T311 PolarHBondContact OG1-O 2.87Å; T304-T311 VanDerWaalsContact OG1-O 3.08Å; T304-T311 PolarHBondContact OG1-OG1 2.86Å |
| 305 | D | 77.1 | Confident | 85.1 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -153.9 | 153 | 169.5 | -164.1 | -4.2 | 0 | 0 | 0 | 109.5 | V303 H307 G310 | V303-D305 WeakPolarHBondContact CG1-O 3.07Å; D305-H307 IonicContact OD1-CE1 2.73Å; D305-H307 PolarHBondContact OD1-CE1 3.33Å; D305-H307 IonicContact OD1-CG 2.9Å; D305-H307 PolarHBondContact OD1-N 3.3Å; D305-H307 VanDerWaalsContact OD1-N 3.15Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-H307 PolarHBondContact OD1-ND1 3.09Å; D305-H307 IonicContact OD2-CG 3.11Å; D305-H307 IonicContact OD2-ND1 3.7Å; D305-H307 PolarHBondContact OD2-ND1 2.91Å; D305-G310 CarbonylContact O-C 3.59Å; D305-G310 WeakPolarHBondContact O-CA 3.36Å | ||
| 306 | L | 79.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -92.7 | -11 | 172.1 | -65.4 | 170.8 | 0 | 0 | 0 | 112.5 | S289 C290 F292 V303 C330 W338 | S289-L306 CarbonylContact C-O 3.46Å; S289-L306 VanDerWaalsContact CA-O 3.32Å; S289-L306 WeakPolarHBondContact CA-O 3.46Å; C290-L306 PolarHBondContact N-O 2.63Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.08Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.22Å; L306-C330 PolarHBondContact O-SG 2.96Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; L306-W338 HydrophobicContact CD2-CZ2 3.99Å |
| 307 | H | 81.6 | Confident | 85.5 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -73.4 | 162.5 | 176.1 | -55.9 | 113.1 | 0 | 0 | 0 | 112.5 | L287 S289 D305 G309 G310 C330 | L287-H307 HydrophobicContact CD2-CB 3.87Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.46Å; L287-H307 HydrophobicContact CG-CB 4.3Å; L287-H307 VanDerWaalsContact CG-CD2 3.48Å; L287-H307 WeakPolarHBondContact CG-CD2 3.19Å; S289-H307 PolarHBondContact OG-CD2 3.01Å; S289-H307 PolarHBondContact OG-NE2 3.37Å; D305-H307 IonicContact OD1-CE1 2.73Å; D305-H307 PolarHBondContact OD1-CE1 3.33Å; D305-H307 IonicContact OD1-CG 2.9Å; D305-H307 PolarHBondContact OD1-N 3.3Å; D305-H307 VanDerWaalsContact OD1-N 3.15Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-H307 PolarHBondContact OD1-ND1 3.09Å; D305-H307 IonicContact OD2-CG 3.11Å; D305-H307 IonicContact OD2-ND1 3.7Å; D305-H307 PolarHBondContact OD2-ND1 2.91Å; H307-G309 PolarHBondContact O-N 2.68Å; H307-G310 WeakPolarHBondContact O-CA 3.41Å; H307-G310 PolarHBondContact O-N 2.7Å; H307-C330 WeakPolarHBondContact O-CB 3.32Å |
| 308 | P | 83.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 127.9 | -179.2 | -25.1 | 35.3 | 0 | 0 | 0 | 112.6 | L288 C330 N332 P336 | L288-P308 WeakPolarHBondContact O-CD 3.27Å; P308-C330 CarbonylContact C-O 3.47Å; P308-C330 WeakPolarHBondContact CA-O 3.03Å; P308-N332 HydrophobicContact CB-CB 3.81Å; P308-N332 HydrophobicContact CG-CB 4.42Å; P308-P336 HydrophobicContact CG-CB 4.37Å; P308-P336 HydrophobicContact CG-CG 4.11Å |
| 309 | G | 84.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 45 Ų | 45 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -15.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H307 C330 | H307-G309 PolarHBondContact O-N 2.68Å; G309-C330 PolarHBondContact N-O 2.79Å |
| 310 | G | 85.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | trans | -67.4 | 153.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D305 H307 C330 | D305-G310 CarbonylContact O-C 3.59Å; D305-G310 WeakPolarHBondContact O-CA 3.36Å; H307-G310 WeakPolarHBondContact O-CA 3.41Å; H307-G310 PolarHBondContact O-N 2.7Å; G310-C330 PolarHBondContact O-N 3.24Å | ||
| 311 | T | 91.5 | Very high | 85.8 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.7 | -174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | V303 T304 L328 I329 | V303-T311 WeakPolarHBondContact CA-O 3.5Å; T304-T311 WeakPolarHBondContact CG2-OG1 3.06Å; T304-T311 PolarHBondContact N-O 2.84Å; T304-T311 PolarHBondContact OG1-N 2.92Å; T304-T311 PolarHBondContact OG1-O 2.87Å; T304-T311 VanDerWaalsContact OG1-O 3.08Å; T304-T311 PolarHBondContact OG1-OG1 2.86Å; T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.17Å; T311-I329 HydrophobicContact CG2-CG1 4.29Å |
| 312 | A | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P293 V301 V303 F314 T327 L328 W338 | P293-A312 HydrophobicContact CG-CB 3.9Å; V301-A312 HydrophobicContact CG2-CB 3.92Å; V303-A312 HydrophobicContact CG2-CB 4.02Å; A312-F314 HydrophobicContact CB-CE2 4.01Å; A312-F314 HydrophobicContact CB-CZ 4.33Å; A312-T327 CarbonylContact O-C 3.57Å; A312-T327 WeakPolarHBondContact O-CA 3.46Å; A312-L328 PolarHBondContact N-O 3.01Å; A312-L328 PolarHBondContact O-N 2.97Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.28Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å |
| 313 | T | 92.7 | Very high | 85.9 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.7 | -175.7 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | S302 H315 E326 T327 | S302-T313 PolarHBondContact N-O 2.89Å; S302-T313 PolarHBondContact O-N 3.4Å; S302-T313 PolarHBondContact O-OG1 2.79Å; S302-T313 VanDerWaalsContact O-OG1 3.14Å; S302-T313 PolarHBondContact OG-OG1 2.95Å; T313-H315 PolarHBondContact O-ND1 3.36Å; T313-E326 WeakPolarHBondContact CA-O 3.41Å; T313-T327 HydrophobicContact CG2-CG2 3.75Å |
| 314 | F | 92.4 | Very high | 86 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.9 | -167.5 | -65.3 | -97.4 | 0 | 0 | 0 | 111 | P293 P296 V301 A312 L322 E326 L328 T342 P343 | P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.85Å; P293-F314 HydrophobicContact CG-CZ 4.21Å; P296-F314 HydrophobicContact CG-CD1 4.43Å; V301-F314 HydrophobicContact CB-CD1 3.81Å; V301-F314 HydrophobicContact CB-CE1 3.83Å; V301-F314 HydrophobicContact CB-CG 4.45Å; V301-F314 HydrophobicContact CB-CZ 4.47Å; V301-F314 HydrophobicContact CG2-CD1 3.67Å; V301-F314 HydrophobicContact CG2-CD2 4.15Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.97Å; V301-F314 HydrophobicContact CG2-CG 4Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å; A312-F314 HydrophobicContact CB-CE2 4.01Å; A312-F314 HydrophobicContact CB-CZ 4.33Å; F314-L322 HydrophobicContact CB-CD1 4.14Å; F314-L322 HydrophobicContact CB-CD2 4.36Å; F314-E326 PolarHBondContact N-O 2.85Å; F314-L328 HydrophobicContact CE2-CB 4.12Å; F314-L328 HydrophobicContact CE2-CD1 3.72Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.46Å; F314-T342 HydrophobicContact CE1-CG2 3.99Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; F314-P343 HydrophobicContact CB-CG 3.57Å; F314-P343 HydrophobicContact CD1-CG 3.8Å; F314-P343 HydrophobicContact CD2-CG 3.82Å; F314-P343 HydrophobicContact CE1-CG 4.45Å; F314-P343 HydrophobicContact CE2-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å |
| 315 | H | 90 | Very high | 86.3 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.8 | -177.1 | -56.6 | 81.7 | 0 | 0 | 0 | 108.8 | G299 D300 S302 T313 | G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.39Å; D300-H315 PolarHBondContact N-O 2.04Å; D300-H315 PolarHBondContact O-N 2.99Å; S302-H315 PolarHBondContact OG-CE1 2.79Å; T313-H315 PolarHBondContact O-ND1 3.36Å |
| 316 | C | 89.4 | Confident | 87 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 151.2 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | L322 C345 | C316-L322 VanDerWaalsContact SG-CA 3.5Å; C316-L322 WeakPolarHBondContact SG-CD1 3.17Å; C316-L322 PolarHBondContact SG-N 3.14Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.44Å; C316-C345 HydrophobicContact CB-CB 3.76Å; C316-C345 WeakPolarHBondContact CB-SG 3.4Å; C316-C345 VanDerWaalsContact SG-CA 3.55Å; C316-C345 WeakPolarHBondContact SG-CB 3.42Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.21Å |
| 317 | D | 85.7 | Confident | 87.5 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.7 | 170.6 | -68.2 | -35.6 | 0 | 0 | 0 | 110.7 | H298 G299 G319 Y320 | H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.3Å; H298-D317 PolarHBondContact O-N 2.87Å; G299-D317 PolarHBondContact N-OD2 3.02Å; D317-G319 PolarHBondContact O-N 3.2Å; D317-Y320 HydrophobicContact CB-CD2 4.2Å; D317-Y320 WeakPolarHBondContact O-CB 3.03Å; D317-Y320 PolarHBondContact O-N 2.9Å |
| 318 | S | 82.8 | Confident | 88 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.7 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | R360 | S318-R360 WeakPolarHBondContact O-CB 3.35Å; S318-R360 WeakPolarHBondContact O-CD 3.4Å; S318-R360 WeakPolarHBondContact OG-CB 3.2Å |
| 319 | G | 80.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -11.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D317 R360 | D317-G319 PolarHBondContact O-N 3.2Å; G319-R360 WeakPolarHBondContact CA-O 3.5Å |
| 320 | Y | 85.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.3 | 171.5 | -64.2 | -100.8 | 0 | 0 | 0 | 111.1 | H298 D317 A347 V362 | H298-Y320 HydrophobicContact CB-CD1 3.74Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.54Å; H298-Y320 HydrophobicContact CB-CE2 3.62Å; H298-Y320 HydrophobicContact CB-CG 3.88Å; H298-Y320 VanDerWaalsContact CB-CZ 3.46Å; H298-Y320 AromaticContact CD2-CE1 3.24Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.37Å; H298-Y320 AromaticContact CD2-CZ 3.5Å; H298-Y320 VanDerWaalsContact CD2-CZ 3.5Å; H298-Y320 PolarHBondContact CD2-OH 2.91Å; H298-Y320 PolarHBondContact CE1-OH 3.43Å; H298-Y320 AromaticContact CG-CE1 3.46Å; H298-Y320 VanDerWaalsContact CG-CE1 3.46Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.32Å; H298-Y320 AromaticContact ND1-CZ 3.85Å; H298-Y320 PolarHBondContact ND1-OH 2.04Å; H298-Y320 PolarHBondContact NE2-OH 2.93Å; D317-Y320 HydrophobicContact CB-CD2 4.2Å; D317-Y320 WeakPolarHBondContact O-CB 3.03Å; D317-Y320 PolarHBondContact O-N 2.9Å; Y320-A347 HydrophobicContact CD1-CB 4.01Å; Y320-A347 HydrophobicContact CE1-CB 3.98Å; Y320-V362 HydrophobicContact CD2-CG2 4.38Å; Y320-V362 HydrophobicContact CE2-CB 4.21Å; Y320-V362 HydrophobicContact CE2-CG1 4.06Å; Y320-V362 HydrophobicContact CE2-CG2 3.86Å |
| 321 | Q | 85.7 | Confident | 88.8 | Confident | 126 Ų | 126 | 58 Ų | 58 | 59% | 0.589 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.6 | 176.7 | -171.2 | 173.6 | 14.5 | 0 | 0 | 110.5 | M346 | Q321-M346 PolarHBondContact N-O 2.78Å; Q321-M346 PolarHBondContact O-N 3.44Å |
| 322 | L | 87.8 | Confident | 88.4 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.9 | -179.8 | -162.2 | 75.8 | 0 | 0 | 0 | 111.5 | F314 C316 E326 P343 | F314-L322 HydrophobicContact CB-CD1 4.14Å; F314-L322 HydrophobicContact CB-CD2 4.36Å; C316-L322 VanDerWaalsContact SG-CA 3.5Å; C316-L322 WeakPolarHBondContact SG-CD1 3.17Å; C316-L322 PolarHBondContact SG-N 3.14Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; L322-E326 HydrophobicContact CD2-CB 4.02Å; L322-E326 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CD1-CB 3.71Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.18Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.27Å |
| 323 | Q | 89.1 | Confident | 88 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 105 | 175.1 | -74.8 | -112.8 | 1.5 | 0 | 0 | 109.4 | P343 S344 M346 | Q323-P343 WeakPolarHBondContact O-CA 3.49Å; Q323-P343 WeakPolarHBondContact O-CB 3.09Å; Q323-S344 PolarHBondContact N-O 2.89Å; Q323-S344 PolarHBondContact O-N 2.86Å; Q323-M346 HydrophobicContact CB-CE 3.94Å; Q323-M346 HydrophobicContact CG-CE 3.47Å; Q323-M346 VanDerWaalsContact CG-CE 3.47Å |
| 324 | G | 87.2 | Confident | 87.2 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 134.8 | -164 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 325 | E | 90.8 | Very high | 86.6 | Confident | 130 Ų | 130 | 68.3 Ų | 68.3 | 61% | 0.607 | 37% | 0.369 | S | S | * | . | trans | -78.5 | 129.1 | 174.7 | -69.1 | -67.9 | 169.6 | 0 | 0 | 110.8 | T327 L328 P343 | E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.8Å; E325-L328 HydrophobicContact CB-CD2 4.06Å; E325-P343 WeakPolarHBondContact O-CG 3.4Å | ||
| 326 | E | 91.4 | Very high | 86.1 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -64.9 | -30.9 | 177.2 | -172.3 | -178.6 | 167.6 | 0 | 0 | 112.4 | T313 F314 L322 | T313-E326 WeakPolarHBondContact CA-O 3.41Å; F314-E326 PolarHBondContact N-O 2.85Å; L322-E326 HydrophobicContact CD2-CB 4.02Å; L322-E326 HydrophobicContact CD2-CG 4.26Å |
| 327 | T | 92.2 | Very high | 86 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.2 | -175.8 | 72.9 | 0 | 0 | 0 | 0 | 111.7 | A312 T313 E325 | A312-T327 CarbonylContact O-C 3.57Å; A312-T327 WeakPolarHBondContact O-CA 3.46Å; T313-T327 HydrophobicContact CG2-CG2 3.75Å; E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.8Å |
| 328 | L | 92 | Very high | 86.2 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 151.4 | 170.2 | -60.1 | -178.3 | 0 | 0 | 0 | 110.7 | T311 A312 F314 E325 W338 N339 T342 | T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.17Å; A312-L328 PolarHBondContact N-O 3.01Å; A312-L328 PolarHBondContact O-N 2.97Å; F314-L328 HydrophobicContact CE2-CB 4.12Å; F314-L328 HydrophobicContact CE2-CD1 3.72Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.46Å; E325-L328 HydrophobicContact CB-CD2 4.06Å; L328-W338 HydrophobicContact CB-CB 4.46Å; L328-W338 HydrophobicContact CB-CD2 4.44Å; L328-W338 HydrophobicContact CB-CE3 3.85Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; L328-N339 VanDerWaalsContact CA-OD1 3.23Å; L328-N339 WeakPolarHBondContact CA-OD1 3.37Å; L328-N339 WeakPolarHBondContact CB-OD1 3.04Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.41Å; L328-T342 HydrophobicContact CD1-CG2 4.33Å |
| 329 | I | 91.7 | Very high | 86.6 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.1 | -176.5 | -49.4 | -178.5 | 0 | 0 | 0 | 109 | T311 L331 W338 N339 | T311-I329 HydrophobicContact CG2-CG1 4.29Å; I329-L331 PolarHBondContact O-N 2.86Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.08Å; I329-N339 PolarHBondContact O-N 3.01Å; I329-N339 VanDerWaalsContact O-N 3.08Å; I329-N339 PolarHBondContact O-OD1 2.85Å |
| 330 | C | 88.7 | Confident | 87 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 114 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 110 | C290 L306 H307 P308 G309 G310 W338 | C290-C330 HydrophobicContact CB-CB 3.91Å; C290-C330 WeakPolarHBondContact CB-SG 3.41Å; C290-C330 WeakPolarHBondContact SG-CA 3Å; C290-C330 WeakPolarHBondContact SG-CB 3.41Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.4Å; L306-C330 PolarHBondContact O-SG 2.96Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; H307-C330 WeakPolarHBondContact O-CB 3.32Å; P308-C330 CarbonylContact C-O 3.47Å; P308-C330 WeakPolarHBondContact CA-O 3.03Å; G309-C330 PolarHBondContact N-O 2.79Å; G310-C330 PolarHBondContact O-N 3.24Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.05Å; C330-W338 HydrophobicContact CB-CZ3 3.84Å; C330-W338 VanDerWaalsContact N-CZ3 3.35Å |
| 331 | L | 88.3 | Confident | 87.1 | Confident | 81 Ų | 81 | 73 Ų | 73 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 145 | -178.7 | -59.5 | -178.2 | 0 | 0 | 0 | 111.8 | I329 P336 S337 N339 | I329-L331 PolarHBondContact O-N 2.86Å; L331-P336 WeakPolarHBondContact O-CA 3.06Å; L331-P336 WeakPolarHBondContact O-CB 3.49Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 2.86Å; L331-N339 HydrophobicContact CD1-CB 3.94Å; L331-N339 HydrophobicContact CD2-CB 4.07Å; L331-N339 HydrophobicContact CG-CB 3.97Å |
| 332 | N | 84.6 | Confident | 87.1 | Confident | 121 Ų | 121 | 70 Ų | 70 | 65% | 0.647 | 39% | 0.385 | S | S | * | . | trans | -75.8 | 141 | 172.9 | 60 | -8.9 | 0 | 0 | 0 | 111.2 | P308 | P308-N332 HydrophobicContact CB-CB 3.81Å; P308-N332 HydrophobicContact CG-CB 4.42Å | ||
| 333 | G | 79.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -175.5 | -175.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G211 R335 | G211-G333 PolarHBondContact N-O 3.34Å; G333-R335 VanDerWaalsContact C-N 3.27Å |
| 334 | T | 75.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -71 | -27.3 | 172.7 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | G236 T261 N262 | G236-T334 WeakPolarHBondContact CA-OG1 3.36Å; G236-T334 PolarHBondContact O-OG1 2.04Å; T261-T334 WeakPolarHBondContact CA-O 3.39Å; T261-T334 VanDerWaalsContact CB-O 3.32Å; T261-T334 WeakPolarHBondContact CB-O 3.44Å; N262-T334 PolarHBondContact N-O 3.06Å; N262-T334 WeakPolarHBondContact OD1-CA 3.37Å; N262-T334 WeakPolarHBondContact OD1-CB 3.39Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.36Å |
| 335 | R | 79.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 42% | 0.415 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -133.1 | 123.3 | 156.5 | -66 | -177.8 | -178 | 154.4 | 7.3 | 106.2 | T261 G333 | T261-R335 HydrophobicContact CG2-CG 3.66Å; G333-R335 VanDerWaalsContact C-N 3.27Å |
| 336 | P | 80.6 | Confident | 86.9 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | trans | -60.8 | 142.1 | 172.3 | -25.4 | 36.1 | 0 | 0 | 0 | 111.5 | L288 P308 L331 | L288-P336 HydrophobicContact CB-CG 3.64Å; P308-P336 HydrophobicContact CG-CB 4.37Å; P308-P336 HydrophobicContact CG-CG 4.11Å; L331-P336 WeakPolarHBondContact O-CA 3.06Å; L331-P336 WeakPolarHBondContact O-CB 3.49Å | ||
| 337 | S | 87.8 | Confident | 86.5 | Confident | 68 Ų | 68 | 56 Ų | 56 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.5 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | C290 L331 | C290-S337 VanDerWaalsContact SG-C 3.5Å; C290-S337 PolarHBondContact SG-N 3.37Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 2.86Å |
| 338 | W | 89.2 | Confident | 86 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 151.8 | 170.9 | -60.3 | 106 | 0 | 0 | 0 | 111 | C290 G291 P293 V303 L306 A312 L328 I329 C330 G340 | C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CH2 4.48Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å; G291-W338 PolarHBondContact O-NE1 3.49Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; V303-W338 HydrophobicContact CG1-CH2 4.39Å; L306-W338 HydrophobicContact CD2-CZ2 3.99Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.28Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å; L328-W338 HydrophobicContact CB-CB 4.46Å; L328-W338 HydrophobicContact CB-CD2 4.44Å; L328-W338 HydrophobicContact CB-CE3 3.85Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.05Å; C330-W338 HydrophobicContact CB-CZ3 3.84Å; C330-W338 VanDerWaalsContact N-CZ3 3.35Å; W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.81Å |
| 339 | N | 91.6 | Very high | 85.4 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -74.2 | -10.9 | -178.3 | 66 | -41.9 | 0 | 0 | 0 | 114.9 | L328 I329 L331 | L328-N339 VanDerWaalsContact CA-OD1 3.23Å; L328-N339 WeakPolarHBondContact CA-OD1 3.37Å; L328-N339 WeakPolarHBondContact CB-OD1 3.04Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.41Å; I329-N339 PolarHBondContact N-OD1 3.08Å; I329-N339 PolarHBondContact O-N 3.01Å; I329-N339 VanDerWaalsContact O-N 3.08Å; I329-N339 PolarHBondContact O-OD1 2.85Å; L331-N339 HydrophobicContact CD1-CB 3.94Å; L331-N339 HydrophobicContact CD2-CB 4.07Å; L331-N339 HydrophobicContact CG-CB 3.97Å |
| 340 | G | 87.2 | Confident | 85 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -156.6 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W338 | W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.81Å |
| 341 | E | 88.8 | Confident | 85 | Confident | 184 Ų | 184 | 57.2 Ų | 57.2 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 153 | 173.1 | -61.3 | -175.8 | 164.1 | 0 | 0 | 110.4 | ||
| 342 | T | 84.8 | Confident | 85.1 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 133.3 | 179.5 | 47 | 0 | 0 | 0 | 0 | 111.3 | P293 P294 F314 L328 | P293-T342 HydrophobicContact CB-CG2 4.27Å; P294-T342 HydrophobicContact CG-CG2 3.92Å; F314-T342 HydrophobicContact CE1-CG2 3.99Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; L328-T342 HydrophobicContact CD1-CG2 4.33Å |
| 343 | P | 91.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 160.3 | 177.9 | 31.6 | -38.9 | 0 | 0 | 0 | 111.9 | F314 L322 Q323 E325 | F314-P343 HydrophobicContact CB-CG 3.57Å; F314-P343 HydrophobicContact CD1-CG 3.8Å; F314-P343 HydrophobicContact CD2-CG 3.82Å; F314-P343 HydrophobicContact CE1-CG 4.45Å; F314-P343 HydrophobicContact CE2-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å; L322-P343 HydrophobicContact CD1-CB 3.71Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.18Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.27Å; Q323-P343 WeakPolarHBondContact O-CA 3.49Å; Q323-P343 WeakPolarHBondContact O-CB 3.09Å; E325-P343 WeakPolarHBondContact O-CG 3.4Å |
| 344 | S | 88.8 | Confident | 85.9 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.9 | 173 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | Q323 | Q323-S344 PolarHBondContact N-O 2.89Å; Q323-S344 PolarHBondContact O-N 2.86Å |
| 345 | C | 88.8 | Confident | 86.6 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 8% | 0.081 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.6 | 171.1 | -66.7 | 0 | 0 | 0 | 0 | 108.7 | A297 H298 C316 | A297-C345 WeakPolarHBondContact O-CB 3.2Å; H298-C345 WeakPolarHBondContact O-CB 3.48Å; C316-C345 WeakPolarHBondContact CA-SG 3.44Å; C316-C345 HydrophobicContact CB-CB 3.76Å; C316-C345 WeakPolarHBondContact CB-SG 3.4Å; C316-C345 VanDerWaalsContact SG-CA 3.55Å; C316-C345 WeakPolarHBondContact SG-CB 3.42Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.21Å |
| 346 | M | 83.6 | Confident | 87 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.7 | -178.9 | -65.9 | -159.9 | -72.2 | 0 | 0 | 111 | Q321 Q323 | Q321-M346 PolarHBondContact N-O 2.78Å; Q321-M346 PolarHBondContact O-N 3.44Å; Q323-M346 HydrophobicContact CB-CE 3.94Å; Q323-M346 HydrophobicContact CG-CE 3.47Å; Q323-M346 VanDerWaalsContact CG-CE 3.47Å |
| 347 | A | 83.4 | Confident | 87.5 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y320 V362 | Y320-A347 HydrophobicContact CD1-CB 4.01Å; Y320-A347 HydrophobicContact CE1-CB 3.98Å; A347-V362 HydrophobicContact CB-CB 4.07Å; A347-V362 HydrophobicContact CB-CG1 4.25Å |
| 348 | S | 80.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | trans | -92 | 114.4 | -177.8 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | G350 W378 | S348-G350 PolarHBondContact O-N 3.19Å; S348-W378 PolarHBondContact O-NE1 3.39Å | ||
| 349 | C | 80.2 | Confident | 87.6 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -71.4 | 90.8 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | P364 L374 C376 | C349-P364 HydrophobicContact CB-CG 3.78Å; C349-L374 HydrophobicContact CB-CD1 4.42Å; C349-L374 VanDerWaalsContact SG-CD1 3.58Å; C349-C376 WeakPolarHBondContact CA-SG 3.35Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.38Å; C349-C376 WeakPolarHBondContact SG-CA 3.3Å; C349-C376 WeakPolarHBondContact SG-CB 2.99Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.43Å |
| 350 | G | 82.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 85.1 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S348 R377 W378 | S348-G350 PolarHBondContact O-N 3.19Å; G350-R377 CarbonylContact C-O 3.49Å; G350-R377 WeakPolarHBondContact CA-O 3.31Å; G350-W378 VanDerWaalsContact CA-CD1 3.47Å; G350-W378 VanDerWaalsContact N-CE2 3.33Å; G350-W378 VanDerWaalsContact N-NE1 3.11Å |
| 351 | G | 87.8 | Confident | 87.6 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -179.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R377 W378 V379 | G351-R377 PolarHBondContact N-O 3.38Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.31Å; G351-V379 PolarHBondContact O-N 3.48Å |
| 352 | T | 90.5 | Very high | 87.5 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.6 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | H354 V379 | T352-H354 WeakPolarHBondContact CG2-CE1 3.11Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.34Å; T352-V379 CarbonylContact C-O 3.58Å; T352-V379 WeakPolarHBondContact CA-O 3.47Å; T352-V379 HydrophobicContact CG2-CB 4.07Å; T352-V379 HydrophobicContact CG2-CG1 4.25Å |
| 353 | I | 90.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 48 Ų | 48 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 98.3 | -178.4 | -53.2 | 178.8 | 0 | 0 | 0 | 108 | A356 I361 V379 E381 F456 | I353-A356 HydrophobicContact CG2-CB 4.23Å; I353-I361 HydrophobicContact CD1-CD1 4.18Å; I353-I361 HydrophobicContact CD1-CG1 4.12Å; I353-V379 PolarHBondContact N-O 3.42Å; I353-E381 PolarHBondContact O-N 3.4Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.63Å; I353-F456 HydrophobicContact CG2-CE2 4.31Å; I353-F456 HydrophobicContact CG2-CZ 3.96Å |
| 354 | H | 90.9 | Very high | 86.9 | Confident | 122 Ų | 122 | 48.7 Ų | 48.7 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 146.7 | 177.6 | -59.2 | -74.3 | 0 | 0 | 0 | 111.7 | T352 A356 E381 | T352-H354 WeakPolarHBondContact CG2-CE1 3.11Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.34Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 2.85Å; H354-E381 CarbonylContact C-O 3.54Å; H354-E381 IonicContact CE1-OE2 3.24Å; H354-E381 IonicContact CG-OE2 2.75Å; H354-E381 IonicContact ND1-OE2 3.63Å; H354-E381 PolarHBondContact ND1-OE2 3.49Å |
| 355 | N | 90.7 | Very high | 85.9 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 44.6 | -174.3 | -65.1 | -48.4 | 0 | 0 | 0 | 112.7 | T357 E381 | N355-T357 PolarHBondContact O-N 3.01Å; N355-E381 WeakPolarHBondContact CA-O 3.36Å; N355-E381 PolarHBondContact N-O 3.08Å |
| 356 | A | 88.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 136.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I353 H354 I380 E381 L388 F456 A458 | I353-A356 HydrophobicContact CG2-CB 4.23Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 2.85Å; A356-I380 HydrophobicContact CB-CG2 3.54Å; A356-E381 PolarHBondContact N-O 2.87Å; A356-L388 HydrophobicContact CB-CD2 4.07Å; A356-F456 HydrophobicContact CB-CD2 4.21Å; A356-F456 HydrophobicContact CB-CE2 3.84Å; A356-A458 WeakPolarHBondContact O-CB 3.33Å |
| 357 | T | 90.1 | Very high | 82.7 | Confident | 88 Ų | 88 | 54 Ų | 54 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -133.5 | -56.8 | 179.6 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | N355 E457 A458 | N355-T357 PolarHBondContact O-N 3.01Å; T357-E457 CarbonylContact O-C 3.59Å; T357-E457 WeakPolarHBondContact O-CA 3.17Å; T357-A458 PolarHBondContact O-N 2.89Å |
| 358 | L | 90.5 | Very high | 81.2 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 56% | 0.56 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 143 | 169 | 176.1 | 64.4 | 0 | 0 | 0 | 108.5 | R455 F456 E457 | L358-R455 HydrophobicContact CD1-CG 4.49Å; L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; L358-E457 HydrophobicContact CD1-CB 4Å |
| 359 | G | 88.9 | Confident | 79.5 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -168.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R455 F456 | G359-R455 WeakPolarHBondContact O-CA 3.32Å; G359-F456 VanDerWaalsContact C-CE1 3.44Å; G359-F456 VanDerWaalsContact CA-CZ 3.5Å; G359-F456 PolarHBondContact N-O 2.67Å; G359-F456 PolarHBondContact O-N 2.74Å |
| 360 | R | 89.1 | Confident | 78.2 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.8 | 178.6 | -177.5 | -171.6 | -76.1 | 164.4 | -6.1 | 110.1 | S318 G319 V362 E393 S453 L454 | S318-R360 WeakPolarHBondContact O-CB 3.35Å; S318-R360 WeakPolarHBondContact O-CD 3.4Å; S318-R360 WeakPolarHBondContact OG-CB 3.2Å; G319-R360 WeakPolarHBondContact CA-O 3.5Å; R360-V362 HydrophobicContact CG-CG2 3.82Å; R360-E393 WeakPolarHBondContact CD-OE2 3.45Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.73Å; R360-E393 IonicContact NE-OE1 3.51Å; R360-E393 PolarHBondContact NE-OE1 2.82Å; R360-E393 IonicContact NE-OE2 3.76Å; R360-E393 PolarHBondContact NE-OE2 3.44Å; R360-E393 IonicContact NH2-OE1 3.54Å; R360-E393 PolarHBondContact NH2-OE1 2.93Å; R360-E393 IonicContact NH2-OE2 2.78Å; R360-E393 PolarHBondContact NH2-OE2 2.78Å; R360-S453 WeakPolarHBondContact CD-OG 3.29Å; R360-L454 CarbonylContact C-O 3.54Å; R360-L454 VanDerWaalsContact CA-O 3.22Å; R360-L454 WeakPolarHBondContact CA-O 2.97Å; R360-L454 WeakPolarHBondContact CG-O 3.49Å |
| 361 | I | 90.5 | Very high | 76.9 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.8 | 171.4 | -75.5 | 161.7 | 0 | 0 | 0 | 107.9 | I353 W378 I380 L454 F456 | I353-I361 HydrophobicContact CD1-CD1 4.18Å; I353-I361 HydrophobicContact CD1-CG1 4.12Å; I361-W378 HydrophobicContact CD1-CB 3.79Å; I361-W378 HydrophobicContact CD1-CG 4.02Å; I361-W378 HydrophobicContact CG1-CG 4.25Å; I361-W378 HydrophobicContact CG2-CD2 3.46Å; I361-W378 VanDerWaalsContact CG2-CD2 3.46Å; I361-W378 HydrophobicContact CG2-CE3 3.91Å; I361-W378 HydrophobicContact CG2-CG 3.79Å; I361-W378 HydrophobicContact CG2-CH2 4.09Å; I361-W378 HydrophobicContact CG2-CZ2 3.7Å; I361-W378 HydrophobicContact CG2-CZ3 4.2Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.82Å; I361-L454 PolarHBondContact N-O 3.41Å; I361-L454 PolarHBondContact O-N 2.84Å; I361-F456 HydrophobicContact CD1-CD1 4.13Å; I361-F456 HydrophobicContact CD1-CE1 4.28Å; I361-F456 HydrophobicContact CG1-CD1 4.24Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å |
| 362 | V | 86.7 | Confident | 75.5 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.1 | -177.6 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | Y320 A347 R360 L452 | Y320-V362 HydrophobicContact CD2-CG2 4.38Å; Y320-V362 HydrophobicContact CE2-CB 4.21Å; Y320-V362 HydrophobicContact CE2-CG1 4.06Å; Y320-V362 HydrophobicContact CE2-CG2 3.86Å; A347-V362 HydrophobicContact CB-CB 4.07Å; A347-V362 HydrophobicContact CB-CG1 4.25Å; R360-V362 HydrophobicContact CG-CG2 3.82Å; V362-L452 CarbonylContact C-O 3.6Å; V362-L452 WeakPolarHBondContact CA-O 3.27Å; V362-L452 VanDerWaalsContact CG1-O 3.3Å; V362-L452 WeakPolarHBondContact CG1-O 3.09Å |
| 363 | S | 84.1 | Confident | 74.5 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 146.2 | 172.2 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | L450 L452 | S363-L450 WeakPolarHBondContact OG-CD2 3.35Å; S363-L452 PolarHBondContact N-O 2.96Å; S363-L452 WeakPolarHBondContact OG-CA 3.44Å; S363-L452 PolarHBondContact OG-N 2.94Å |
| 364 | P | 78.5 | Confident | 73.8 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 146.7 | 167.9 | -19.4 | 30.3 | 0 | 0 | 0 | 112.8 | C349 L374 | C349-P364 HydrophobicContact CB-CG 3.78Å; P364-L374 HydrophobicContact CG-CD1 4.31Å |
| 365 | E | 67.3 | Low | 73.5 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -74 | 138.8 | 172.5 | -64.9 | 178.1 | -169.2 | 0 | 0 | 111.3 | H298 G367 G368 | H298-E365 IonicContact CD2-OE1 3.54Å; H298-E365 IonicContact CE1-OE1 3.13Å; H298-E365 IonicContact NE2-OE1 3.27Å; H298-E365 PolarHBondContact NE2-OE1 3.35Å; E365-G367 PolarHBondContact O-N 3.03Å; E365-G368 PolarHBondContact O-N 3.31Å |
| 366 | P | 53.8 | Low | 73.3 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 107.3 | 178.3 | 26 | -31.8 | 0 | 0 | 0 | 110.9 | ||
| 367 | G | 51.9 | Low | 73.4 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 84% | 0.835 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.8 | -20.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E365 | E365-G367 PolarHBondContact O-N 3.03Š|
| 368 | G | 52.2 | Low | 73.6 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -64.3 | 168.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E365 V370 | E365-G368 PolarHBondContact O-N 3.31Å; G368-V370 PolarHBondContact O-N 2.87Å |
| 369 | A | 44.4 | Very low | 73.7 | Confident | 119 Ų | 119 | 52.6 Ų | 52.6 | 98% | 0.983 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.8 | 27.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 370 | V | 53.3 | Low | 74 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | trans | -94 | 148.2 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | G368 L374 | G368-V370 PolarHBondContact O-N 2.87Å; V370-L374 HydrophobicContact CG1-CD1 3.9Å | ||
| 371 | G | 54.5 | Low | 74.2 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | trans | -70.3 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N373 | G371-N373 PolarHBondContact O-N 3.03Š| ||
| 372 | P | 58 | Low | 74.3 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -71 | -2.1 | -169.5 | 29.1 | -36.8 | 0 | 0 | 0 | 115.9 | T445 | P372-T445 VanDerWaalsContact C-OG1 3.29Å; P372-T445 WeakPolarHBondContact CA-OG1 3.44Å; P372-T445 WeakPolarHBondContact O-CB 3.34Å; P372-T445 WeakPolarHBondContact O-CG2 3.37Å; P372-T445 PolarHBondContact O-N 2.85Å; P372-T445 PolarHBondContact O-OG1 2.82Å |
| 373 | N | 69.6 | Low | 74.5 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.9 | 173.9 | -54.8 | 62.4 | 0 | 0 | 0 | 107.2 | G371 S443 E444 | G371-N373 PolarHBondContact O-N 3.03Å; N373-S443 CarbonylContact C-O 3.59Å; N373-S443 VanDerWaalsContact CA-O 3.31Å; N373-S443 WeakPolarHBondContact CA-O 3.5Å; N373-E444 WeakPolarHBondContact ND2-CG 3.27Å; N373-E444 PolarHBondContact ND2-OE1 3.15Å |
| 374 | L | 76.1 | Confident | 74.7 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.6 | -177.4 | -179 | 71.4 | 0 | 0 | 0 | 108.8 | C349 P364 V370 S443 | C349-L374 HydrophobicContact CB-CD1 4.42Å; C349-L374 VanDerWaalsContact SG-CD1 3.58Å; P364-L374 HydrophobicContact CG-CD1 4.31Å; V370-L374 HydrophobicContact CG1-CD1 3.9Å; L374-S443 PolarHBondContact N-O 2.92Å; L374-S443 PolarHBondContact O-N 2.9Å |
| 375 | T | 84.8 | Confident | 74.9 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 100.3 | 177 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | L441 L442 | T375-L441 CarbonylContact C-O 3.59Å; T375-L441 WeakPolarHBondContact CA-O 3.36Å; T375-L442 HydrophobicContact CG2-CD2 3.66Å |
| 376 | C | 87.4 | Confident | 76 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.2 | -176.3 | -53 | 0 | 0 | 0 | 0 | 110.6 | C349 W378 E440 L441 | C349-C376 WeakPolarHBondContact CA-SG 3.35Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.38Å; C349-C376 WeakPolarHBondContact SG-CA 3.3Å; C349-C376 WeakPolarHBondContact SG-CB 2.99Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.43Å; C376-W378 HydrophobicContact CB-CD2 4.5Å; C376-W378 HydrophobicContact CB-CE3 4.15Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.58Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; C376-E440 WeakPolarHBondContact O-CA 3.42Å; C376-L441 HydrophobicContact CB-CB 4.38Å; C376-L441 PolarHBondContact N-O 2.76Å; C376-L441 PolarHBondContact O-N 2.83Å |
| 377 | R | 91.1 | Very high | 77.7 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 110.4 | -174.8 | -71.2 | 175.6 | 170.4 | 120 | 7.7 | 110.3 | G350 G351 Y438 V439 E440 | G350-R377 CarbonylContact C-O 3.49Å; G350-R377 WeakPolarHBondContact CA-O 3.31Å; G351-R377 PolarHBondContact N-O 3.38Å; R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.32Å; R377-Y438 PolarHBondContact NE-OH 2.95Å; R377-V439 CarbonylContact C-O 3.35Å; R377-V439 WeakPolarHBondContact CA-O 3.23Å; R377-E440 HydrophobicContact CG-CG 4.2Å; R377-E440 IonicContact CZ-OE1 2.78Å; R377-E440 IonicContact NE-OE1 3.53Å; R377-E440 PolarHBondContact NE-OE1 2.8Å; R377-E440 IonicContact NH2-OE1 3.44Å; R377-E440 PolarHBondContact NH2-OE1 2.87Å |
| 378 | W | 92.9 | Very high | 79.6 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.023 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.8 | 179.4 | -57 | -92.3 | 0 | 0 | 0 | 110.6 | S348 G350 G351 I361 C376 V439 L441 L452 | S348-W378 PolarHBondContact O-NE1 3.39Å; G350-W378 VanDerWaalsContact CA-CD1 3.47Å; G350-W378 VanDerWaalsContact N-CE2 3.33Å; G350-W378 VanDerWaalsContact N-NE1 3.11Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.31Å; I361-W378 HydrophobicContact CD1-CB 3.79Å; I361-W378 HydrophobicContact CD1-CG 4.02Å; I361-W378 HydrophobicContact CG1-CG 4.25Å; I361-W378 HydrophobicContact CG2-CD2 3.46Å; I361-W378 VanDerWaalsContact CG2-CD2 3.46Å; I361-W378 HydrophobicContact CG2-CE3 3.91Å; I361-W378 HydrophobicContact CG2-CG 3.79Å; I361-W378 HydrophobicContact CG2-CH2 4.09Å; I361-W378 HydrophobicContact CG2-CZ2 3.7Å; I361-W378 HydrophobicContact CG2-CZ3 4.2Å; C376-W378 HydrophobicContact CB-CD2 4.5Å; C376-W378 HydrophobicContact CB-CE3 4.15Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.58Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; W378-V439 HydrophobicContact CB-CB 4.44Å; W378-V439 HydrophobicContact CE3-CB 4.32Å; W378-V439 HydrophobicContact CE3-CG1 4.03Å; W378-V439 HydrophobicContact CZ3-CG1 4.44Å; W378-V439 PolarHBondContact N-O 3.45Å; W378-V439 PolarHBondContact O-N 3.21Å; W378-L441 HydrophobicContact CH2-CB 4.37Å; W378-L441 HydrophobicContact CH2-CD2 4.23Å; W378-L441 HydrophobicContact CZ3-CB 3.89Å; W378-L452 HydrophobicContact CZ3-CD2 4.47Å |
| 379 | V | 93.7 | Very high | 81.4 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.5 | 172 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | G351 T352 I353 L437 Y438 | G351-V379 PolarHBondContact O-N 3.48Å; T352-V379 CarbonylContact C-O 3.58Å; T352-V379 WeakPolarHBondContact CA-O 3.47Å; T352-V379 HydrophobicContact CG2-CB 4.07Å; T352-V379 HydrophobicContact CG2-CG1 4.25Å; I353-V379 PolarHBondContact N-O 3.42Å; V379-L437 WeakPolarHBondContact CA-O 3.36Å; V379-Y438 HydrophobicContact CG2-CD2 3.82Å; V379-Y438 HydrophobicContact CG2-CE2 4.39Å |
| 380 | I | 94 | Very high | 83.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.1 | 178 | -43.6 | 174.1 | 0 | 0 | 0 | 107 | A356 I361 L388 L390 S436 L437 F456 | A356-I380 HydrophobicContact CB-CG2 3.54Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.82Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.8Å; I380-L388 HydrophobicContact CG2-CG 4.44Å; I380-L390 HydrophobicContact CD1-CD2 3.99Å; I380-S436 CarbonylContact O-C 3.6Å; I380-S436 WeakPolarHBondContact O-CA 3.46Å; I380-S436 WeakPolarHBondContact O-CB 3.28Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.48Å; I380-L437 PolarHBondContact N-O 3.31Å; I380-L437 PolarHBondContact O-N 2.56Å; I380-F456 HydrophobicContact CD1-CB 4.04Å; I380-F456 HydrophobicContact CD1-CD1 4.12Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.93Å; I380-F456 HydrophobicContact CG2-CE2 4.18Å; I380-F456 HydrophobicContact CG2-CG 4.27Å |
| 381 | E | 93.6 | Very high | 85.2 | Confident | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 112.7 | -179.3 | 179.5 | 175.2 | -133.2 | 0 | 0 | 109.7 | I353 H354 N355 A356 | I353-E381 PolarHBondContact O-N 3.4Å; H354-E381 CarbonylContact C-O 3.54Å; H354-E381 IonicContact CE1-OE2 3.24Å; H354-E381 IonicContact CG-OE2 2.75Å; H354-E381 IonicContact ND1-OE2 3.63Å; H354-E381 PolarHBondContact ND1-OE2 3.49Å; N355-E381 WeakPolarHBondContact CA-O 3.36Å; N355-E381 PolarHBondContact N-O 3.08Å; A356-E381 PolarHBondContact N-O 2.87Å |
| 382 | A | 93.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R386 L388 Q435 A458 | A382-R386 HydrophobicContact CB-CB 3.97Å; A382-L388 HydrophobicContact CB-CD2 4.08Å; A382-L388 HydrophobicContact CB-CG 4.11Å; A382-Q435 PolarHBondContact N-O 2.87Å; A382-A458 HydrophobicContact CB-CB 3.76Å |
| 383 | A | 90.5 | Very high | 87.5 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 157.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G385 R386 | A383-G385 PolarHBondContact O-N 2.75Å; A383-R386 WeakPolarHBondContact O-CB 2.94Å; A383-R386 PolarHBondContact O-N 3.07Å |
| 384 | E | 87.3 | Confident | 87.8 | Confident | 175 Ų | 175 | 44 Ų | 44 | 82% | 0.818 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 137.7 | 178.3 | -62.5 | -175.4 | 162.4 | 0 | 0 | 111.8 | ||
| 385 | G | 84.3 | Confident | 87.9 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 12.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A383 | A383-G385 PolarHBondContact O-N 2.75Š|
| 386 | R | 89.5 | Confident | 87.5 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | 176 | -63.3 | -168.9 | 172.8 | -166.8 | -1.1 | 112.8 | A382 A383 Q435 A458 F459 E460 | A382-R386 HydrophobicContact CB-CB 3.97Å; A383-R386 WeakPolarHBondContact O-CB 2.94Å; A383-R386 PolarHBondContact O-N 3.07Å; R386-Q435 WeakPolarHBondContact O-CA 3.45Å; R386-A458 HydrophobicContact CB-CB 4.5Å; R386-F459 CarbonylContact C-O 3.58Å; R386-F459 WeakPolarHBondContact CA-O 3.17Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 3.33Å; R386-E460 HydrophobicContact CG-CG 3.73Å; R386-E460 IonicContact CZ-OE1 2.7Å; R386-E460 VanDerWaalsContact CZ-OE1 3.27Å; R386-E460 IonicContact NE-OE1 3.39Å; R386-E460 PolarHBondContact NE-OE1 2.94Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 2.68Å; R386-E460 PolarHBondContact NH2-OE1 2.99Å |
| 387 | R | 89.6 | Confident | 87 | Confident | 72 Ų | 72 | 46 Ų | 46 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 160.4 | 168.5 | -65.6 | -177.8 | -170.6 | -175.5 | 8.1 | 109.7 | S432 A458 F459 E461 | R387-S432 WeakPolarHBondContact CD-O 3.24Å; R387-S432 WeakPolarHBondContact CG-O 3.47Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.29Å; R387-A458 WeakPolarHBondContact O-CA 3.38Å; R387-F459 HydrophobicContact CB-CE1 3.92Å; R387-F459 HydrophobicContact CB-CE2 4.44Å; R387-F459 HydrophobicContact CB-CZ 3.89Å; R387-F459 PolarHBondContact N-O 2.94Å; R387-F459 WeakPolarHBondContact O-CD1 3.48Å; R387-F459 PolarHBondContact O-N 3.26Å; R387-E461 HydrophobicContact CG-CG 4.23Å; R387-E461 IonicContact CZ-OE1 2.63Å; R387-E461 IonicContact NE-OE1 3.32Å; R387-E461 PolarHBondContact NE-OE1 3.21Å; R387-E461 IonicContact NH2-OE1 3.51Å; R387-E461 PolarHBondContact NH2-OE1 3Å |
| 388 | L | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.8 | 176.6 | -70.1 | 161.4 | 0 | 0 | 0 | 109.8 | A356 I380 A382 I431 S432 L437 E457 A458 | A356-L388 HydrophobicContact CB-CD2 4.07Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.8Å; I380-L388 HydrophobicContact CG2-CG 4.44Å; A382-L388 HydrophobicContact CB-CD2 4.08Å; A382-L388 HydrophobicContact CB-CG 4.11Å; L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.32Å; L388-S432 PolarHBondContact N-OG 3Å; L388-S432 PolarHBondContact O-N 3.47Å; L388-S432 PolarHBondContact O-OG 3.38Å; L388-L437 HydrophobicContact CB-CD1 3.52Å; L388-L437 HydrophobicContact CB-CG 4.17Å; L388-L437 HydrophobicContact CD1-CB 4.18Å; L388-L437 HydrophobicContact CD1-CD1 4.02Å; L388-L437 HydrophobicContact CD1-CG 3.99Å; L388-L437 HydrophobicContact CG-CD1 4.41Å; L388-E457 CarbonylContact C-O 3.51Å; L388-E457 VanDerWaalsContact CA-O 3.3Å; L388-E457 WeakPolarHBondContact CA-O 3.37Å; L388-A458 HydrophobicContact CD2-CB 3.86Å |
| 389 | H | 90.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.2 | 163.6 | -179.3 | -120.4 | 0 | 0 | 0 | 109.1 | R428 L430 F456 E457 F459 F465 | H389-R428 PolarHBondContact NE2-O 3.37Å; H389-L430 CarbonylContact C-O 3.58Å; H389-L430 WeakPolarHBondContact CA-O 3.06Å; H389-L430 PolarHBondContact CD2-O 2.85Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.4Å; H389-E457 HydrophobicContact CB-CG 4.15Å; H389-E457 PolarHBondContact N-O 2.88Å; H389-E457 PolarHBondContact O-N 2.74Å; H389-F459 HydrophobicContact CB-CD1 4.31Å; H389-F459 HydrophobicContact CB-CE1 3.96Å; H389-F465 HydrophobicContact CB-CB 4.13Å; H389-F465 HydrophobicContact CB-CG 4.21Å; H389-F465 AromaticContact CE1-CD2 3.6Å; H389-F465 AromaticContact CE1-CE2 3.3Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.05Å; H389-F465 AromaticContact CE1-CZ 3.73Å; H389-F465 AromaticContact CG-CD2 3.97Å; H389-F465 AromaticContact CG-CG 3.94Å; H389-F465 AromaticContact ND1-CD2 3.54Å; H389-F465 AromaticContact ND1-CE2 3.77Å; H389-F465 AromaticContact ND1-CG 3.98Å; H389-F465 AromaticContact NE2-CE1 3.96Å; H389-F465 AromaticContact NE2-CE2 3.64Å; H389-F465 AromaticContact NE2-CZ 3.55Å |
| 390 | L | 90.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.1 | 170.4 | -81.5 | 173.6 | 0 | 0 | 0 | 109.1 | I380 V406 G429 L430 L437 V439 L454 R455 F456 | I380-L390 HydrophobicContact CD1-CD2 3.99Å; L390-V406 HydrophobicContact CD1-CG1 3.69Å; L390-V406 HydrophobicContact CD1-CG2 4.42Å; L390-G429 CarbonylContact O-C 3.55Å; L390-G429 WeakPolarHBondContact O-CA 3.34Å; L390-L430 HydrophobicContact CB-CB 4.38Å; L390-L430 PolarHBondContact N-O 2.77Å; L390-L430 PolarHBondContact O-N 3.49Å; L390-L437 HydrophobicContact CD1-CD1 3.68Å; L390-L437 HydrophobicContact CG-CD1 3.72Å; L390-V439 HydrophobicContact CD1-CG2 4.13Å; L390-L454 HydrophobicContact CD2-CB 4.27Å; L390-L454 HydrophobicContact CD2-CD1 4.41Å; L390-R455 WeakPolarHBondContact CA-O 3.4Å; L390-F456 HydrophobicContact CD2-CB 3.87Å |
| 391 | H | 86.8 | Confident | 83.4 | Confident | 28 Ų | 28 | 61 Ų | 61 | 13% | 0.13 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.8 | 174.5 | -179.3 | 94.7 | 0 | 0 | 0 | 110.1 | E393 R455 F468 | H391-E393 PolarHBondContact O-N 2.89Å; H391-R455 HydrophobicContact CB-CB 4.32Å; H391-R455 PolarHBondContact N-O 2.85Å; H391-R455 PolarHBondContact O-N 3.05Å; H391-F468 AromaticContact CD2-CD1 3.62Å; H391-F468 AromaticContact CE1-CD1 3.99Å; H391-F468 AromaticContact NE2-CD1 3.41Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.38Å; H391-F468 AromaticContact NE2-CE1 3.96Å |
| 392 | F | 83.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 93.9 | -176.7 | -65 | -96.4 | 0 | 0 | 0 | 110.3 | V395 L404 Y418 V425 P426 L430 L454 | F392-V395 HydrophobicContact CB-CG2 4.02Å; F392-V395 HydrophobicContact CD1-CG2 3.61Å; F392-V395 HydrophobicContact CG-CG2 4.27Å; F392-L404 HydrophobicContact CE1-CD2 4.01Å; F392-Y418 HydrophobicContact CE1-CE1 4.5Å; F392-Y418 HydrophobicContact CZ-CD1 4.33Å; F392-V425 HydrophobicContact CB-CG1 3.76Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CG1 4.19Å; F392-V425 HydrophobicContact CE1-CG1 4.37Å; F392-V425 HydrophobicContact CG-CG1 3.65Å; F392-P426 HydrophobicContact CD2-CG 4.2Å; F392-P426 HydrophobicContact CE2-CG 3.64Å; F392-P426 HydrophobicContact CZ-CG 4.26Å; F392-L430 HydrophobicContact CE2-CD1 3.86Å; F392-L430 HydrophobicContact CE2-CG 3.94Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; F392-L454 HydrophobicContact CB-CD2 4.36Å; F392-L454 HydrophobicContact CD1-CD2 3.21Å; F392-L454 HydrophobicContact CE1-CD2 3.59Å; F392-L454 HydrophobicContact CG-CD2 3.86Å; F392-L454 HydrophobicContact CZ-CD2 4.46Å |
| 393 | E | 77.9 | Confident | 82.7 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -40.5 | -177.8 | -58.5 | 170.9 | 133 | 0 | 0 | 112 | R360 H391 S453 R455 F468 | R360-E393 WeakPolarHBondContact CD-OE2 3.45Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.73Å; R360-E393 IonicContact NE-OE1 3.51Å; R360-E393 PolarHBondContact NE-OE1 2.82Å; R360-E393 IonicContact NE-OE2 3.76Å; R360-E393 PolarHBondContact NE-OE2 3.44Å; R360-E393 IonicContact NH2-OE1 3.54Å; R360-E393 PolarHBondContact NH2-OE1 2.93Å; R360-E393 IonicContact NH2-OE2 2.78Å; R360-E393 PolarHBondContact NH2-OE2 2.78Å; H391-E393 PolarHBondContact O-N 2.89Å; E393-S453 PolarHBondContact N-O 2.72Å; E393-S453 VanDerWaalsContact N-O 3.09Å; E393-S453 PolarHBondContact OE2-OG 3.15Å; E393-R455 HydrophobicContact CG-CB 3.99Å; E393-F468 HydrophobicContact CG-CE1 4.14Å |
| 394 | R | 75.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 128.7 | 176.3 | -55.9 | -171.2 | 75 | 171.9 | 0.9 | 109.2 | L451 S453 | R394-L451 HydrophobicContact CB-CD2 4.22Å; R394-L451 HydrophobicContact CB-CG 4.38Å; R394-L451 VanDerWaalsContact CZ-CD2 3.47Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 PolarHBondContact O-N 3.47Å |
| 395 | V | 78.2 | Confident | 82.8 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 124.6 | 171.8 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | F392 L397 V425 L451 L452 | F392-V395 HydrophobicContact CB-CG2 4.02Å; F392-V395 HydrophobicContact CD1-CG2 3.61Å; F392-V395 HydrophobicContact CG-CG2 4.27Å; V395-L397 HydrophobicContact CG1-CD1 3.8Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; V395-V425 HydrophobicContact CB-CG2 4.12Å; V395-V425 HydrophobicContact CG1-CG2 3.91Å; V395-V425 HydrophobicContact CG2-CG1 3.95Å; V395-V425 HydrophobicContact CG2-CG2 4.23Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 WeakPolarHBondContact CA-O 3.37Å; V395-L452 HydrophobicContact CG2-CD1 4.16Å |
| 396 | S | 75.3 | Confident | 83.2 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 105.2 | 169 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | L450 L451 | S396-L450 WeakPolarHBondContact O-CA 3.43Å; S396-L451 PolarHBondContact N-O 2.85Å; S396-L451 PolarHBondContact O-N 3.03Å |
| 397 | L | 76.5 | Confident | 83.4 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | trans | -123.3 | 143.8 | -179.8 | -59.4 | 173.9 | 0 | 0 | 0 | 107.7 | V395 D402 L404 L441 L450 | V395-L397 HydrophobicContact CG1-CD1 3.8Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; L397-D402 HydrophobicContact CB-CB 3.95Å; L397-D402 HydrophobicContact CD2-CB 4.07Å; L397-L404 HydrophobicContact CD1-CB 3.77Å; L397-L404 HydrophobicContact CD1-CD2 4.47Å; L397-L441 HydrophobicContact CD2-CD1 3.73Å; L397-L450 HydrophobicContact CD2-CG 4.32Å | ||
| 398 | D | 75.3 | Confident | 83.6 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | trans | -80 | 113.4 | 168.6 | -170.7 | -49.5 | 0 | 0 | 0 | 110 | D400 N401 D402 | D398-D400 PolarHBondContact O-N 3.31Å; D398-D400 VanDerWaalsContact O-N 3.08Å; D398-D400 PolarHBondContact OD1-N 2.84Å; D398-N401 HydrophobicContact CB-CB 4.13Å; D398-N401 VanDerWaalsContact CG-ND2 3.29Å; D398-N401 PolarHBondContact O-N 3.33Å; D398-N401 PolarHBondContact OD1-N 3.08Å; D398-N401 PolarHBondContact OD1-ND2 2.9Å; D398-N401 PolarHBondContact OD2-ND2 2.86Å; D398-D402 HydrophobicContact CB-CB 4.35Å; D398-D402 WeakPolarHBondContact CB-OD2 3.03Å; D398-D402 PolarHBondContact N-OD2 2.81Å; D398-D402 PolarHBondContact O-N 3.44Å | ||
| 399 | E | 72.4 | Confident | 83.5 | Confident | 199 Ų | 199 | 45.6 Ų | 45.6 | 93% | 0.93 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.2 | -174.9 | -65.9 | 175.2 | -171 | 0 | 0 | 114.3 | ||
| 400 | D | 73.9 | Confident | 83.4 | Confident | 155 Ų | 155 | 47.2 Ų | 47.2 | 83% | 0.829 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -18.2 | 179.4 | -83.2 | -45.4 | 0 | 0 | 0 | 113.1 | D398 | D398-D400 PolarHBondContact O-N 3.31Å; D398-D400 VanDerWaalsContact O-N 3.08Å; D398-D400 PolarHBondContact OD1-N 2.84Å |
| 401 | N | 76.1 | Confident | 83.3 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -19.2 | -164.4 | -58.9 | -81 | 0 | 0 | 0 | 115.9 | D398 E444 | D398-N401 HydrophobicContact CB-CB 4.13Å; D398-N401 VanDerWaalsContact CG-ND2 3.29Å; D398-N401 PolarHBondContact O-N 3.33Å; D398-N401 PolarHBondContact OD1-N 3.08Å; D398-N401 PolarHBondContact OD1-ND2 2.9Å; D398-N401 PolarHBondContact OD2-ND2 2.86Å; N401-E444 PolarHBondContact O-N 3.06Å |
| 402 | D | 83.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.2 | -177.7 | -63.5 | -28 | 0 | 0 | 0 | 111.3 | L397 D398 L442 S443 L450 | L397-D402 HydrophobicContact CB-CB 3.95Å; L397-D402 HydrophobicContact CD2-CB 4.07Å; D398-D402 HydrophobicContact CB-CB 4.35Å; D398-D402 WeakPolarHBondContact CB-OD2 3.03Å; D398-D402 PolarHBondContact N-OD2 2.81Å; D398-D402 PolarHBondContact O-N 3.44Å; D402-L442 CarbonylContact C-O 3.56Å; D402-L442 WeakPolarHBondContact CA-O 3.5Å; D402-S443 VanDerWaalsContact OD1-CA 3.31Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.14Å; D402-S443 PolarHBondContact OD1-OG 2.87Å; D402-L450 HydrophobicContact CB-CD1 4.4Å |
| 403 | R | 87.4 | Confident | 83.5 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.9 | 177.5 | -178.5 | 177.2 | -176.6 | 157.1 | 3.8 | 113.2 | M405 D419 S420 D421 L441 L442 | R403-M405 HydrophobicContact CG-CE 4.11Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-M405 PolarHBondContact NE-SD 3.37Å; R403-M405 VanDerWaalsContact NE-SD 3.44Å; R403-D419 IonicContact CZ-OD1 3.05Å; R403-D419 VanDerWaalsContact CZ-OD1 3.25Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.76Å; R403-D419 PolarHBondContact NE-OD1 2.96Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 2.71Å; R403-D419 PolarHBondContact NH2-OD1 2.96Å; R403-D419 IonicContact NH2-OD2 3.86Å; R403-D419 PolarHBondContact NH2-OD2 3.27Å; R403-S420 WeakPolarHBondContact CA-OG 3.2Å; R403-D421 WeakPolarHBondContact CD-OD1 3.36Å; R403-D421 WeakPolarHBondContact CG-OD1 3.19Å; R403-D421 VanDerWaalsContact CZ-CG 3.44Å; R403-D421 IonicContact CZ-OD1 3.38Å; R403-D421 IonicContact CZ-OD2 2.76Å; R403-D421 IonicContact NE-OD1 2.68Å; R403-D421 PolarHBondContact NE-OD1 2.96Å; R403-D421 IonicContact NE-OD2 2.67Å; R403-D421 IonicContact NH1-OD1 3.14Å; R403-D421 IonicContact NH1-OD2 2.74Å; R403-D421 PolarHBondContact NH1-OD2 3.49Å; R403-D421 IonicContact NH2-OD2 2.67Å; R403-L441 WeakPolarHBondContact O-CA 3.45Å; R403-L442 PolarHBondContact N-O 2.84Å; R403-L442 PolarHBondContact O-N 3.43Å |
| 404 | L | 89.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123 | 174.1 | 178.3 | 63 | 0 | 0 | 0 | 110.9 | F392 L397 Y418 S420 V439 L441 L452 | F392-L404 HydrophobicContact CE1-CD2 4.01Å; L397-L404 HydrophobicContact CD1-CB 3.77Å; L397-L404 HydrophobicContact CD1-CD2 4.47Å; L404-Y418 HydrophobicContact CD2-CE1 4.22Å; L404-Y418 HydrophobicContact CG-CE1 4.39Å; L404-S420 PolarHBondContact N-OG 3.28Å; L404-S420 PolarHBondContact O-N 3.38Å; L404-V439 HydrophobicContact CD1-CG1 3.88Å; L404-L441 HydrophobicContact CD1-CB 4.49Å; L404-L452 HydrophobicContact CD1-CD1 4.39Å; L404-L452 HydrophobicContact CD1-CD2 4.07Å; L404-L452 HydrophobicContact CD2-CD1 3.43Å; L404-L452 VanDerWaalsContact CD2-CD1 3.43Å |
| 405 | M | 91.3 | Very high | 84.9 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 175.3 | -76.2 | 169.8 | -77.2 | 0 | 0 | 110.7 | R403 R407 D419 E440 L442 | R403-M405 HydrophobicContact CG-CE 4.11Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-M405 PolarHBondContact NE-SD 3.37Å; R403-M405 VanDerWaalsContact NE-SD 3.44Å; M405-R407 PolarHBondContact SD-NH2 3.06Å; M405-D419 WeakPolarHBondContact CG-OD1 3.5Å; M405-E440 HydrophobicContact CE-CG 4.43Å; M405-E440 PolarHBondContact N-O 2.03Å; M405-E440 PolarHBondContact O-N 2.91Å; M405-L442 HydrophobicContact CE-CD1 3.73Å; M405-L442 HydrophobicContact CE-CG 4.38Å |
| 406 | V | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.1 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | L390 I417 Y418 L430 L437 V439 | L390-V406 HydrophobicContact CD1-CG1 3.69Å; L390-V406 HydrophobicContact CD1-CG2 4.42Å; V406-I417 HydrophobicContact CB-CG1 4.21Å; V406-I417 HydrophobicContact CG1-CD1 3.94Å; V406-I417 HydrophobicContact CG1-CG1 3.87Å; V406-I417 PolarHBondContact O-N 3.45Å; V406-Y418 HydrophobicContact CG2-CD1 4.25Å; V406-Y418 PolarHBondContact N-O 2.95Å; V406-Y418 PolarHBondContact O-N 2.97Å; V406-L430 HydrophobicContact CB-CD1 4.03Å; V406-L430 HydrophobicContact CG1-CD1 4.09Å; V406-L430 HydrophobicContact CG2-CD1 4.07Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; V406-V439 HydrophobicContact CG1-CG2 4.41Å; V406-V439 HydrophobicContact CG2-CG2 4.5Å |
| 407 | R | 93.6 | Very high | 86.3 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.3 | -177.1 | -62.3 | 177.8 | 179.1 | 97.9 | 4.2 | 111.8 | M405 G409 S414 P415 V416 L437 Y438 E440 | M405-R407 PolarHBondContact SD-NH2 3.06Å; R407-G409 PolarHBondContact O-N 3.29Å; R407-S414 WeakPolarHBondContact CD-O 3.41Å; R407-P415 CarbonylContact C-O 3.52Å; R407-P415 WeakPolarHBondContact CA-O 3.41Å; R407-P415 WeakPolarHBondContact CB-O 3.34Å; R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; R407-L437 WeakPolarHBondContact O-CA 3.37Å; R407-L437 WeakPolarHBondContact O-CD2 3.49Å; R407-Y438 PolarHBondContact N-O 2.64Å; R407-Y438 PolarHBondContact O-N 3.08Å; R407-E440 IonicContact CZ-OE2 2.78Å; R407-E440 IonicContact NH1-OE2 3.16Å; R407-E440 PolarHBondContact NH1-OE2 3.49Å; R407-E440 IonicContact NH2-OE2 3.16Å |
| 408 | S | 92.3 | Very high | 87 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 103.7 | 175.9 | -174 | 0 | 0 | 0 | 0 | 109.5 | S414 P415 D433 | S408-S414 WeakPolarHBondContact O-CB 3.42Å; S408-P415 PolarHBondContact N-O 2.04Å; S408-P415 WeakPolarHBondContact O-CD 3.36Å; S408-D433 WeakPolarHBondContact CB-OD2 3.5Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å |
| 409 | G | 89.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 114 | 138.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R407 S411 S414 S436 Y438 | R407-G409 PolarHBondContact O-N 3.29Å; G409-S411 PolarHBondContact O-N 2.85Å; G409-S414 PolarHBondContact O-OG 3.29Å; G409-S436 VanDerWaalsContact CA-O 3.28Å; G409-S436 WeakPolarHBondContact CA-O 3.48Å; G409-S436 PolarHBondContact N-O 2.91Å; G409-Y438 WeakPolarHBondContact O-CB 3.37Å |
| 410 | G | 87.9 | Confident | 88.4 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -70.7 | 29.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | S436 | G410-S436 PolarHBondContact N-OG 3.04Š|
| 411 | S | 87.9 | Confident | 88.9 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -132 | 154.1 | 177.4 | 94.1 | 0 | 0 | 0 | 0 | 112.4 | G409 L413 S414 | G409-S411 PolarHBondContact O-N 2.85Å; S411-L413 PolarHBondContact O-N 3.43Å; S411-L413 PolarHBondContact OG-N 3.21Å; S411-S414 WeakPolarHBondContact CA-OG 3.41Å; S411-S414 WeakPolarHBondContact CB-OG 3.23Å; S411-S414 PolarHBondContact N-OG 3.37Å; S411-S414 PolarHBondContact O-N 2.85Å; S411-S414 PolarHBondContact O-OG 2.88Å; S411-S414 PolarHBondContact OG-N 3.42Å; S411-S414 PolarHBondContact OG-OG 3.34Å |
| 412 | P | 86.8 | Confident | 89.2 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.7 | 174.4 | 29 | -35.9 | 0 | 0 | 0 | 113.9 | Y438 | P412-Y438 HydrophobicContact CB-CE1 4.06Å; P412-Y438 HydrophobicContact CB-CE2 4.13Å; P412-Y438 HydrophobicContact CG-CE2 4.47Å |
| 413 | L | 88.9 | Confident | 89.1 | Confident | 165 Ų | 165 | 50.5 Ų | 50.5 | 86% | 0.864 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -0.6 | 178.3 | -63.1 | 176.3 | 0 | 0 | 0 | 113.1 | S411 | S411-L413 PolarHBondContact O-N 3.43Å; S411-L413 PolarHBondContact OG-N 3.21Å |
| 414 | S | 91.7 | Very high | 88.6 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -75.4 | 156 | 179 | -24 | 0 | 0 | 0 | 0 | 110.6 | R407 S408 G409 S411 V416 | R407-S414 WeakPolarHBondContact CD-O 3.41Å; S408-S414 WeakPolarHBondContact O-CB 3.42Å; G409-S414 PolarHBondContact O-OG 3.29Å; S411-S414 WeakPolarHBondContact CA-OG 3.41Å; S411-S414 WeakPolarHBondContact CB-OG 3.23Å; S411-S414 PolarHBondContact N-OG 3.37Å; S411-S414 PolarHBondContact O-N 2.85Å; S411-S414 PolarHBondContact O-OG 2.88Å; S411-S414 PolarHBondContact OG-N 3.42Å; S411-S414 PolarHBondContact OG-OG 3.34Å; S414-V416 PolarHBondContact O-N 2.77Å |
| 415 | P | 91.9 | Very high | 88.1 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 136 | -177.6 | 21.7 | -33.4 | 0 | 0 | 0 | 112.3 | R407 S408 | R407-P415 CarbonylContact C-O 3.52Å; R407-P415 WeakPolarHBondContact CA-O 3.41Å; R407-P415 WeakPolarHBondContact CB-O 3.34Å; S408-P415 PolarHBondContact N-O 2.04Å; S408-P415 WeakPolarHBondContact O-CD 3.36Å |
| 416 | V | 90.5 | Very high | 87.4 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | R407 S414 Y418 D419 | R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; S414-V416 PolarHBondContact O-N 2.77Å; V416-Y418 WeakPolarHBondContact CG1-O 3.1Å; V416-D419 HydrophobicContact CG1-CB 4.08Å |
| 417 | I | 90.9 | Very high | 86.1 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -11.3 | 174.1 | 59.9 | 171.3 | 0 | 0 | 0 | 112.8 | V406 L430 L437 | V406-I417 HydrophobicContact CB-CG1 4.21Å; V406-I417 HydrophobicContact CG1-CD1 3.94Å; V406-I417 HydrophobicContact CG1-CG1 3.87Å; V406-I417 PolarHBondContact O-N 3.45Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; I417-L437 HydrophobicContact CD1-CD2 3.8Å |
| 418 | Y | 91.5 | Very high | 84.8 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 4% | 0.035 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 142.7 | 171.7 | 176.5 | -104.1 | 0 | 0 | 0 | 111 | F392 L404 V406 V416 D423 D424 P426 L430 | F392-Y418 HydrophobicContact CE1-CE1 4.5Å; F392-Y418 HydrophobicContact CZ-CD1 4.33Å; L404-Y418 HydrophobicContact CD2-CE1 4.22Å; L404-Y418 HydrophobicContact CG-CE1 4.39Å; V406-Y418 HydrophobicContact CG2-CD1 4.25Å; V406-Y418 PolarHBondContact N-O 2.95Å; V406-Y418 PolarHBondContact O-N 2.97Å; V416-Y418 WeakPolarHBondContact CG1-O 3.1Å; Y418-D423 HydrophobicContact CD2-CB 4.07Å; Y418-D423 HydrophobicContact CE2-CB 3.84Å; Y418-D423 WeakPolarHBondContact CE2-O 3.24Å; Y418-D423 PolarHBondContact OH-O 2.71Å; Y418-D424 WeakPolarHBondContact CE2-O 3.32Å; Y418-P426 HydrophobicContact CD2-CG 4.44Å; Y418-L430 HydrophobicContact CD1-CD1 4.44Å; Y418-L430 HydrophobicContact CG-CD1 3.97Å |
| 419 | D | 90.3 | Very high | 84.2 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 113.5 | -178.9 | -160.1 | -6.9 | 0 | 0 | 0 | 109.4 | R403 M405 V416 D421 M422 D423 | R403-D419 IonicContact CZ-OD1 3.05Å; R403-D419 VanDerWaalsContact CZ-OD1 3.25Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.76Å; R403-D419 PolarHBondContact NE-OD1 2.96Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 2.71Å; R403-D419 PolarHBondContact NH2-OD1 2.96Å; R403-D419 IonicContact NH2-OD2 3.86Å; R403-D419 PolarHBondContact NH2-OD2 3.27Å; M405-D419 WeakPolarHBondContact CG-OD1 3.5Å; V416-D419 HydrophobicContact CG1-CB 4.08Å; D419-D421 PolarHBondContact O-N 2.95Å; D419-D421 VanDerWaalsContact O-N 3.12Å; D419-M422 HydrophobicContact CB-CB 4.47Å; D419-M422 HydrophobicContact CB-CG 4.22Å; D419-M422 PolarHBondContact O-N 3.07Å; D419-D423 PolarHBondContact O-N 3.31Å; D419-D423 VanDerWaalsContact O-N 3.08Å |
| 420 | S | 86.9 | Confident | 84.1 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.8 | -171.5 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | R403 L404 M422 | R403-S420 WeakPolarHBondContact CA-OG 3.2Å; L404-S420 PolarHBondContact N-OG 3.28Å; L404-S420 PolarHBondContact O-N 3.38Å; S420-M422 PolarHBondContact O-N 3.45Å |
| 421 | D | 84.4 | Confident | 84.1 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.4 | 172 | -67.7 | 23.2 | 0 | 0 | 0 | 112.4 | R403 D419 | R403-D421 WeakPolarHBondContact CD-OD1 3.36Å; R403-D421 WeakPolarHBondContact CG-OD1 3.19Å; R403-D421 VanDerWaalsContact CZ-CG 3.44Å; R403-D421 IonicContact CZ-OD1 3.38Å; R403-D421 IonicContact CZ-OD2 2.76Å; R403-D421 IonicContact NE-OD1 2.68Å; R403-D421 PolarHBondContact NE-OD1 2.96Å; R403-D421 IonicContact NE-OD2 2.67Å; R403-D421 IonicContact NH1-OD1 3.14Å; R403-D421 IonicContact NH1-OD2 2.74Å; R403-D421 PolarHBondContact NH1-OD2 3.49Å; R403-D421 IonicContact NH2-OD2 2.67Å; D419-D421 PolarHBondContact O-N 2.95Å; D419-D421 VanDerWaalsContact O-N 3.12Å |
| 422 | M | 83.1 | Confident | 84.2 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -36.2 | -165.6 | -55.5 | -76.3 | 100.9 | 0 | 0 | 113.1 | D419 S420 | D419-M422 HydrophobicContact CB-CB 4.47Å; D419-M422 HydrophobicContact CB-CG 4.22Å; D419-M422 PolarHBondContact O-N 3.07Å; S420-M422 PolarHBondContact O-N 3.45Å |
| 423 | D | 80.9 | Confident | 84.1 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -132.1 | 136.8 | -169.8 | -62 | -68.3 | 0 | 0 | 0 | 112.3 | Y418 D419 | Y418-D423 HydrophobicContact CD2-CB 4.07Å; Y418-D423 HydrophobicContact CE2-CB 3.84Å; Y418-D423 WeakPolarHBondContact CE2-O 3.24Å; Y418-D423 PolarHBondContact OH-O 2.71Å; D419-D423 PolarHBondContact O-N 3.31Å; D419-D423 VanDerWaalsContact O-N 3.08Å |
| 424 | D | 77.7 | Confident | 83.8 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 152.3 | 170.4 | -68.7 | -57.9 | 0 | 0 | 0 | 111.8 | Y418 P426 | Y418-D424 WeakPolarHBondContact CE2-O 3.32Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å |
| 425 | V | 77.6 | Confident | 83.8 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 120.4 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | F392 V395 E427 | F392-V425 HydrophobicContact CB-CG1 3.76Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CG1 4.19Å; F392-V425 HydrophobicContact CE1-CG1 4.37Å; F392-V425 HydrophobicContact CG-CG1 3.65Å; V395-V425 HydrophobicContact CB-CG2 4.12Å; V395-V425 HydrophobicContact CG1-CG2 3.91Å; V395-V425 HydrophobicContact CG2-CG1 3.95Å; V395-V425 HydrophobicContact CG2-CG2 4.23Å; V425-E427 PolarHBondContact O-N 2.68Å |
| 426 | P | 77.5 | Confident | 83.8 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 120.6 | -170.5 | 28.9 | -34.5 | 0 | 0 | 0 | 112.4 | F392 Y418 D424 R428 G429 L430 | F392-P426 HydrophobicContact CD2-CG 4.2Å; F392-P426 HydrophobicContact CE2-CG 3.64Å; F392-P426 HydrophobicContact CZ-CG 4.26Å; Y418-P426 HydrophobicContact CD2-CG 4.44Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å; P426-R428 PolarHBondContact O-N 2.76Å; P426-R428 VanDerWaalsContact O-N 3.17Å; P426-G429 PolarHBondContact O-N 3.46Å; P426-L430 HydrophobicContact CG-CD2 4.04Å; P426-L430 HydrophobicContact CG-CG 3.99Å |
| 427 | E | 64.9 | Low | 84 | Confident | 174 Ų | 174 | 64.1 Ų | 64.1 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35 | -179.8 | -60 | 178.7 | 145.8 | 0 | 0 | 113.3 | V425 G429 | V425-E427 PolarHBondContact O-N 2.68Å; E427-G429 VanDerWaalsContact C-N 3.25Å; E427-G429 PolarHBondContact O-N 2.9Å |
| 428 | R | 67.3 | Low | 84.1 | Confident | 137 Ų | 137 | 62.5 Ų | 62.5 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | 179.3 | -65.8 | -179.7 | 179.5 | -134.8 | -13.5 | 114.1 | H389 P426 T519 | H389-R428 PolarHBondContact NE2-O 3.37Å; P426-R428 PolarHBondContact O-N 2.76Å; P426-R428 VanDerWaalsContact O-N 3.17Å; R428-T519 HydrophobicContact CG-CG2 3.65Å; R428-T519 VanDerWaalsContact NE-CG2 3.25Å |
| 429 | G | 79.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 62 Ų | 62 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | trans | 70 | -163.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L390 P426 E427 | L390-G429 CarbonylContact O-C 3.55Å; L390-G429 WeakPolarHBondContact O-CA 3.34Å; P426-G429 PolarHBondContact O-N 3.46Å; E427-G429 VanDerWaalsContact C-N 3.25Å; E427-G429 PolarHBondContact O-N 2.9Å | ||
| 430 | L | 87.7 | Confident | 84.2 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.5 | 177.5 | -67.3 | 164.4 | 0 | 0 | 0 | 110.5 | H389 L390 F392 V406 I417 Y418 P426 | H389-L430 CarbonylContact C-O 3.58Å; H389-L430 WeakPolarHBondContact CA-O 3.06Å; H389-L430 PolarHBondContact CD2-O 2.85Å; L390-L430 HydrophobicContact CB-CB 4.38Å; L390-L430 PolarHBondContact N-O 2.77Å; L390-L430 PolarHBondContact O-N 3.49Å; F392-L430 HydrophobicContact CE2-CD1 3.86Å; F392-L430 HydrophobicContact CE2-CG 3.94Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; V406-L430 HydrophobicContact CB-CD1 4.03Å; V406-L430 HydrophobicContact CG1-CD1 4.09Å; V406-L430 HydrophobicContact CG2-CD1 4.07Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; Y418-L430 HydrophobicContact CD1-CD1 4.44Å; Y418-L430 HydrophobicContact CG-CD1 3.97Å; P426-L430 HydrophobicContact CG-CD2 4.04Å; P426-L430 HydrophobicContact CG-CG 3.99Å |
| 431 | I | 88.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.6 | 173.6 | -60.9 | 171.7 | 0 | 0 | 0 | 108.5 | L388 F459 F465 | L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.32Å; I431-F459 HydrophobicContact CG2-CE1 4.37Å; I431-F459 HydrophobicContact CG2-CZ 3.92Å; I431-F465 HydrophobicContact CD1-CD1 4.24Å; I431-F465 HydrophobicContact CD1-CE1 4.06Å |
| 432 | S | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -89.8 | 136.2 | 174 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | R387 L388 A434 | R387-S432 WeakPolarHBondContact CD-O 3.24Å; R387-S432 WeakPolarHBondContact CG-O 3.47Å; L388-S432 PolarHBondContact N-OG 3Å; L388-S432 PolarHBondContact O-N 3.47Å; L388-S432 PolarHBondContact O-OG 3.38Å; S432-A434 VanDerWaalsContact CB-O 3.3Å; S432-A434 WeakPolarHBondContact CB-O 3.36Å; S432-A434 PolarHBondContact OG-O 3.11Å | ||
| 433 | D | 85.3 | Confident | 84.3 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.8 | -14.4 | 169.4 | -30 | -91.9 | 0 | 0 | 0 | 112.4 | S408 | S408-D433 WeakPolarHBondContact CB-OD2 3.5Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å |
| 434 | A | 83.1 | Confident | 84.1 | Confident | 33 Ų | 33 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -118.4 | 161.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S432 S436 | S432-A434 VanDerWaalsContact CB-O 3.3Å; S432-A434 WeakPolarHBondContact CB-O 3.36Å; S432-A434 PolarHBondContact OG-O 3.11Å; A434-S436 PolarHBondContact O-N 2.94Å |
| 435 | Q | 89.9 | Confident | 83.7 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65 | 3.1 | 174.5 | 76.4 | -175 | 39.6 | 0 | 0 | 114.8 | A382 R386 | A382-Q435 PolarHBondContact N-O 2.87Å; R386-Q435 WeakPolarHBondContact O-CA 3.45Å |
| 436 | S | 92.4 | Very high | 82.6 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.6 | -175.9 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | I380 G409 G410 A434 | I380-S436 CarbonylContact O-C 3.6Å; I380-S436 WeakPolarHBondContact O-CA 3.46Å; I380-S436 WeakPolarHBondContact O-CB 3.28Å; G409-S436 VanDerWaalsContact CA-O 3.28Å; G409-S436 WeakPolarHBondContact CA-O 3.48Å; G409-S436 PolarHBondContact N-O 2.91Å; G410-S436 PolarHBondContact N-OG 3.04Å; A434-S436 PolarHBondContact O-N 2.94Å |
| 437 | L | 94.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.8 | 176.8 | -76.5 | 169.4 | 0 | 0 | 0 | 110 | V379 I380 L388 L390 V406 R407 I417 | V379-L437 WeakPolarHBondContact CA-O 3.36Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.48Å; I380-L437 PolarHBondContact N-O 3.31Å; I380-L437 PolarHBondContact O-N 2.56Å; L388-L437 HydrophobicContact CB-CD1 3.52Å; L388-L437 HydrophobicContact CB-CG 4.17Å; L388-L437 HydrophobicContact CD1-CB 4.18Å; L388-L437 HydrophobicContact CD1-CD1 4.02Å; L388-L437 HydrophobicContact CD1-CG 3.99Å; L388-L437 HydrophobicContact CG-CD1 4.41Å; L390-L437 HydrophobicContact CD1-CD1 3.68Å; L390-L437 HydrophobicContact CG-CD1 3.72Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; R407-L437 WeakPolarHBondContact O-CA 3.37Å; R407-L437 WeakPolarHBondContact O-CD2 3.49Å; I417-L437 HydrophobicContact CD1-CD2 3.8Å |
| 438 | Y | 93.6 | Very high | 80.8 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.2 | 170.9 | 176.5 | -78.8 | 0 | 0 | 0 | 108.5 | R377 V379 R407 G409 P412 E440 | R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.32Å; R377-Y438 PolarHBondContact NE-OH 2.95Å; V379-Y438 HydrophobicContact CG2-CD2 3.82Å; V379-Y438 HydrophobicContact CG2-CE2 4.39Å; R407-Y438 PolarHBondContact N-O 2.64Å; R407-Y438 PolarHBondContact O-N 3.08Å; G409-Y438 WeakPolarHBondContact O-CB 3.37Å; P412-Y438 HydrophobicContact CB-CE1 4.06Å; P412-Y438 HydrophobicContact CB-CE2 4.13Å; P412-Y438 HydrophobicContact CG-CE2 4.47Å; Y438-E440 HydrophobicContact CD1-CB 4.38Å; Y438-E440 HydrophobicContact CE1-CB 3.67Å; Y438-E440 HydrophobicContact CE1-CG 4.4Å; Y438-E440 PolarHBondContact OH-OE1 3.06Å |
| 439 | V | 92.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.8 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | R377 W378 L390 L404 V406 L454 | R377-V439 CarbonylContact C-O 3.35Å; R377-V439 WeakPolarHBondContact CA-O 3.23Å; W378-V439 HydrophobicContact CB-CB 4.44Å; W378-V439 HydrophobicContact CE3-CB 4.32Å; W378-V439 HydrophobicContact CE3-CG1 4.03Å; W378-V439 HydrophobicContact CZ3-CG1 4.44Å; W378-V439 PolarHBondContact N-O 3.45Å; W378-V439 PolarHBondContact O-N 3.21Å; L390-V439 HydrophobicContact CD1-CG2 4.13Å; L404-V439 HydrophobicContact CD1-CG1 3.88Å; V406-V439 HydrophobicContact CG1-CG2 4.41Å; V406-V439 HydrophobicContact CG2-CG2 4.5Å; V439-L454 HydrophobicContact CG1-CD1 3.97Å |
| 440 | E | 91.6 | Very high | 79.5 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121.8 | -177.8 | 178.3 | 165.5 | -129.1 | 0 | 0 | 110.8 | C376 R377 M405 R407 Y438 L442 | C376-E440 WeakPolarHBondContact O-CA 3.42Å; R377-E440 HydrophobicContact CG-CG 4.2Å; R377-E440 IonicContact CZ-OE1 2.78Å; R377-E440 IonicContact NE-OE1 3.53Å; R377-E440 PolarHBondContact NE-OE1 2.8Å; R377-E440 IonicContact NH2-OE1 3.44Å; R377-E440 PolarHBondContact NH2-OE1 2.87Å; M405-E440 HydrophobicContact CE-CG 4.43Å; M405-E440 PolarHBondContact N-O 2.03Å; M405-E440 PolarHBondContact O-N 2.91Å; R407-E440 IonicContact CZ-OE2 2.78Å; R407-E440 IonicContact NH1-OE2 3.16Å; R407-E440 PolarHBondContact NH1-OE2 3.49Å; R407-E440 IonicContact NH2-OE2 3.16Å; Y438-E440 HydrophobicContact CD1-CB 4.38Å; Y438-E440 HydrophobicContact CE1-CB 3.67Å; Y438-E440 HydrophobicContact CE1-CG 4.4Å; Y438-E440 PolarHBondContact OH-OE1 3.06Å; E440-L442 HydrophobicContact CG-CD2 4.17Å; E440-L442 HydrophobicContact CG-CG 4.4Å |
| 441 | L | 88.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129 | 176.7 | 175.1 | 71.2 | 0 | 0 | 0 | 109 | T375 C376 W378 L397 R403 L404 L450 L452 | T375-L441 CarbonylContact C-O 3.59Å; T375-L441 WeakPolarHBondContact CA-O 3.36Å; C376-L441 HydrophobicContact CB-CB 4.38Å; C376-L441 PolarHBondContact N-O 2.76Å; C376-L441 PolarHBondContact O-N 2.83Å; W378-L441 HydrophobicContact CH2-CB 4.37Å; W378-L441 HydrophobicContact CH2-CD2 4.23Å; W378-L441 HydrophobicContact CZ3-CB 3.89Å; L397-L441 HydrophobicContact CD2-CD1 3.73Å; R403-L441 WeakPolarHBondContact O-CA 3.45Å; L404-L441 HydrophobicContact CD1-CB 4.49Å; L441-L450 HydrophobicContact CD1-CD1 4.31Å; L441-L450 HydrophobicContact CD2-CD1 4.3Å; L441-L450 HydrophobicContact CD2-CD2 3.77Å; L441-L452 HydrophobicContact CD1-CD2 4.32Å; L441-L452 HydrophobicContact CD2-CD2 4.03Å |
| 442 | L | 86.9 | Confident | 78.4 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.5 | 175.1 | -51.8 | 176.2 | 0 | 0 | 0 | 108.4 | T375 D402 R403 M405 E440 | T375-L442 HydrophobicContact CG2-CD2 3.66Å; D402-L442 CarbonylContact C-O 3.56Å; D402-L442 WeakPolarHBondContact CA-O 3.5Å; R403-L442 PolarHBondContact N-O 2.84Å; R403-L442 PolarHBondContact O-N 3.43Å; M405-L442 HydrophobicContact CE-CD1 3.73Å; M405-L442 HydrophobicContact CE-CG 4.38Å; E440-L442 HydrophobicContact CG-CD2 4.17Å; E440-L442 HydrophobicContact CG-CG 4.4Å |
| 443 | S | 80.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 45 Ų | 45 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 138.9 | -179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | N373 L374 D402 L450 | N373-S443 CarbonylContact C-O 3.59Å; N373-S443 VanDerWaalsContact CA-O 3.31Å; N373-S443 WeakPolarHBondContact CA-O 3.5Å; L374-S443 PolarHBondContact N-O 2.92Å; L374-S443 PolarHBondContact O-N 2.9Å; D402-S443 VanDerWaalsContact OD1-CA 3.31Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.14Å; D402-S443 PolarHBondContact OD1-OG 2.87Å; S443-L450 VanDerWaalsContact OG-CD1 3.3Å; S443-L450 WeakPolarHBondContact OG-CD1 3.3Å |
| 444 | E | 76.8 | Confident | 78.4 | Confident | 126 Ų | 126 | 39.5 Ų | 39.5 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.1 | 176.4 | -48.6 | -150 | 145.7 | 0 | 0 | 110.1 | N373 N401 | N373-E444 WeakPolarHBondContact ND2-CG 3.27Å; N373-E444 PolarHBondContact ND2-OE1 3.15Å; N401-E444 PolarHBondContact O-N 3.06Å |
| 445 | T | 68.3 | Low | 78.7 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 37% | 0.368 | 23% | 0.227 | S | C | . | . | trans | -96 | 165.6 | -157 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | P372 | P372-T445 VanDerWaalsContact C-OG1 3.29Å; P372-T445 WeakPolarHBondContact CA-OG1 3.44Å; P372-T445 WeakPolarHBondContact O-CB 3.34Å; P372-T445 WeakPolarHBondContact O-CG2 3.37Å; P372-T445 PolarHBondContact O-N 2.85Å; P372-T445 PolarHBondContact O-OG1 2.82Å | ||
| 446 | P | 55.1 | Low | 78.7 | Confident | 101 Ų | 101 | 36.1 Ų | 36.1 | 66% | 0.656 | 21% | 0.211 | S | C | * | . | cis | -133.2 | 153.8 | -30.1 | 28.4 | -10.3 | 0 | 0 | 0 | 114.2 | ||||
| 447 | A | 49.3 | Very low | 78.7 | Confident | 84 Ų | 84 | 36.1 Ų | 36.1 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -132.3 | -47.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 448 | N | 55 | Low | 78.5 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -98.4 | 155.7 | 177.5 | -69.6 | -27.3 | 0 | 0 | 0 | 112.3 | L450 | N448-L450 PolarHBondContact O-N 3.35Š|
| 449 | P | 58.2 | Low | 78.4 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 55% | 0.552 | 21% | 0.214 | S | C | * | . | trans | -74.2 | 103.7 | 167.9 | 30.5 | -32.1 | 0 | 0 | 0 | 110 | L451 | P449-L451 PolarHBondContact O-N 3.24Š| ||
| 450 | L | 61.9 | Low | 78.2 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | trans | -57.5 | 127.4 | 169.8 | -172 | 161.4 | 0 | 0 | 0 | 109.3 | S363 S396 L397 D402 L441 S443 N448 | S363-L450 WeakPolarHBondContact OG-CD2 3.35Å; S396-L450 WeakPolarHBondContact O-CA 3.43Å; L397-L450 HydrophobicContact CD2-CG 4.32Å; D402-L450 HydrophobicContact CB-CD1 4.4Å; L441-L450 HydrophobicContact CD1-CD1 4.31Å; L441-L450 HydrophobicContact CD2-CD1 4.3Å; L441-L450 HydrophobicContact CD2-CD2 3.77Å; S443-L450 VanDerWaalsContact OG-CD1 3.3Å; S443-L450 WeakPolarHBondContact OG-CD1 3.3Å; N448-L450 PolarHBondContact O-N 3.35Å | ||
| 451 | L | 70.7 | Confident | 77.9 | Confident | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 92.8 | 178.8 | -171.4 | 63.1 | 0 | 0 | 0 | 112.3 | R394 V395 S396 P449 | R394-L451 HydrophobicContact CB-CD2 4.22Å; R394-L451 HydrophobicContact CB-CG 4.38Å; R394-L451 VanDerWaalsContact CZ-CD2 3.47Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 WeakPolarHBondContact CA-O 3.37Å; S396-L451 PolarHBondContact N-O 2.85Å; S396-L451 PolarHBondContact O-N 3.03Å; P449-L451 PolarHBondContact O-N 3.24Å |
| 452 | L | 83.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 108.1 | 163 | 162.5 | 150.2 | 0 | 0 | 0 | 115.2 | V362 S363 W378 V395 L404 L441 L454 | V362-L452 CarbonylContact C-O 3.6Å; V362-L452 WeakPolarHBondContact CA-O 3.27Å; V362-L452 VanDerWaalsContact CG1-O 3.3Å; V362-L452 WeakPolarHBondContact CG1-O 3.09Å; S363-L452 PolarHBondContact N-O 2.96Å; S363-L452 WeakPolarHBondContact OG-CA 3.44Å; S363-L452 PolarHBondContact OG-N 2.94Å; W378-L452 HydrophobicContact CZ3-CD2 4.47Å; V395-L452 HydrophobicContact CG2-CD1 4.16Å; L404-L452 HydrophobicContact CD1-CD1 4.39Å; L404-L452 HydrophobicContact CD1-CD2 4.07Å; L404-L452 HydrophobicContact CD2-CD1 3.43Å; L404-L452 VanDerWaalsContact CD2-CD1 3.43Å; L441-L452 HydrophobicContact CD1-CD2 4.32Å; L441-L452 HydrophobicContact CD2-CD2 4.03Å; L452-L454 HydrophobicContact CD1-CD1 3.93Å; L452-L454 HydrophobicContact CD1-CD2 3.46Å; L452-L454 VanDerWaalsContact CD1-CD2 3.46Å; L452-L454 HydrophobicContact CD1-CG 3.53Å; L452-L454 HydrophobicContact CG-CD1 4.42Å; L452-L454 HydrophobicContact CG-CD2 4.37Å; L452-L454 HydrophobicContact CG-CG 3.98Å |
| 453 | S | 85.5 | Confident | 77.9 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 109.5 | 163 | -164.3 | 0 | 0 | 0 | 0 | 112.1 | R360 E393 R394 | R360-S453 WeakPolarHBondContact CD-OG 3.29Å; E393-S453 PolarHBondContact N-O 2.72Å; E393-S453 VanDerWaalsContact N-O 3.09Å; E393-S453 PolarHBondContact OE2-OG 3.15Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 PolarHBondContact O-N 3.47Å |
| 454 | L | 88.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.9 | 179.2 | -59.5 | -178.1 | 0 | 0 | 0 | 110.6 | R360 I361 L390 F392 V439 L452 | R360-L454 CarbonylContact C-O 3.54Å; R360-L454 VanDerWaalsContact CA-O 3.22Å; R360-L454 WeakPolarHBondContact CA-O 2.97Å; R360-L454 WeakPolarHBondContact CG-O 3.49Å; I361-L454 PolarHBondContact N-O 3.41Å; I361-L454 PolarHBondContact O-N 2.84Å; L390-L454 HydrophobicContact CD2-CB 4.27Å; L390-L454 HydrophobicContact CD2-CD1 4.41Å; F392-L454 HydrophobicContact CB-CD2 4.36Å; F392-L454 HydrophobicContact CD1-CD2 3.21Å; F392-L454 HydrophobicContact CE1-CD2 3.59Å; F392-L454 HydrophobicContact CG-CD2 3.86Å; F392-L454 HydrophobicContact CZ-CD2 4.46Å; V439-L454 HydrophobicContact CG1-CD1 3.97Å; L452-L454 HydrophobicContact CD1-CD1 3.93Å; L452-L454 HydrophobicContact CD1-CD2 3.46Å; L452-L454 VanDerWaalsContact CD1-CD2 3.46Å; L452-L454 HydrophobicContact CD1-CG 3.53Å; L452-L454 HydrophobicContact CG-CD1 4.42Å; L452-L454 HydrophobicContact CG-CD2 4.37Å; L452-L454 HydrophobicContact CG-CG 3.98Å |
| 455 | R | 89.3 | Confident | 79 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.8 | 165.5 | 176.9 | -179.2 | 178.4 | -81 | -3.6 | 108.7 | L358 G359 L390 H391 E393 E457 | L358-R455 HydrophobicContact CD1-CG 4.49Å; G359-R455 WeakPolarHBondContact O-CA 3.32Å; L390-R455 WeakPolarHBondContact CA-O 3.4Å; H391-R455 HydrophobicContact CB-CB 4.32Å; H391-R455 PolarHBondContact N-O 2.85Å; H391-R455 PolarHBondContact O-N 3.05Å; E393-R455 HydrophobicContact CG-CB 3.99Å; R455-E457 IonicContact CZ-OE2 2.93Å; R455-E457 IonicContact NH1-OE2 3.6Å; R455-E457 PolarHBondContact NH1-OE2 3.01Å; R455-E457 IonicContact NH2-OE2 3.77Å; R455-E457 PolarHBondContact NH2-OE2 2.95Å |
| 456 | F | 91.1 | Very high | 79.9 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.5 | 172.5 | 66.8 | -96.2 | 0 | 0 | 0 | 111.2 | I353 A356 L358 G359 I361 I380 H389 L390 | I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.63Å; I353-F456 HydrophobicContact CG2-CE2 4.31Å; I353-F456 HydrophobicContact CG2-CZ 3.96Å; A356-F456 HydrophobicContact CB-CD2 4.21Å; A356-F456 HydrophobicContact CB-CE2 3.84Å; L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; G359-F456 VanDerWaalsContact C-CE1 3.44Å; G359-F456 VanDerWaalsContact CA-CZ 3.5Å; G359-F456 PolarHBondContact N-O 2.67Å; G359-F456 PolarHBondContact O-N 2.74Å; I361-F456 HydrophobicContact CD1-CD1 4.13Å; I361-F456 HydrophobicContact CD1-CE1 4.28Å; I361-F456 HydrophobicContact CG1-CD1 4.24Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å; I380-F456 HydrophobicContact CD1-CB 4.04Å; I380-F456 HydrophobicContact CD1-CD1 4.12Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.93Å; I380-F456 HydrophobicContact CG2-CE2 4.18Å; I380-F456 HydrophobicContact CG2-CG 4.27Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.4Å; L390-F456 HydrophobicContact CD2-CB 3.87Å |
| 457 | E | 91.1 | Very high | 81.3 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.3 | 169.4 | 66.1 | 171.5 | -107.9 | 0 | 0 | 112.4 | T357 L358 L388 H389 R455 A466 | T357-E457 CarbonylContact O-C 3.59Å; T357-E457 WeakPolarHBondContact O-CA 3.17Å; L358-E457 HydrophobicContact CD1-CB 4Å; L388-E457 CarbonylContact C-O 3.51Å; L388-E457 VanDerWaalsContact CA-O 3.3Å; L388-E457 WeakPolarHBondContact CA-O 3.37Å; H389-E457 HydrophobicContact CB-CG 4.15Å; H389-E457 PolarHBondContact N-O 2.88Å; H389-E457 PolarHBondContact O-N 2.74Å; R455-E457 IonicContact CZ-OE2 2.93Å; R455-E457 IonicContact NH1-OE2 3.6Å; R455-E457 PolarHBondContact NH1-OE2 3.01Å; R455-E457 IonicContact NH2-OE2 3.77Å; R455-E457 PolarHBondContact NH2-OE2 2.95Å; E457-A466 WeakPolarHBondContact OE1-CB 2.99Å; E457-A466 PolarHBondContact OE1-N 3.02Å |
| 458 | A | 91.4 | Very high | 82.8 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 110.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A356 T357 A382 R386 R387 L388 | A356-A458 WeakPolarHBondContact O-CB 3.33Å; T357-A458 PolarHBondContact O-N 2.89Å; A382-A458 HydrophobicContact CB-CB 3.76Å; R386-A458 HydrophobicContact CB-CB 4.5Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.29Å; R387-A458 WeakPolarHBondContact O-CA 3.38Å; L388-A458 HydrophobicContact CD2-CB 3.86Å |
| 459 | F | 90 | Very high | 84.1 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 9% | 0.088 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 160.6 | -177.4 | 68.3 | -77.1 | 0 | 0 | 0 | 111.3 | R386 R387 H389 I431 F465 | R386-F459 CarbonylContact C-O 3.58Å; R386-F459 WeakPolarHBondContact CA-O 3.17Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 3.33Å; R387-F459 HydrophobicContact CB-CE1 3.92Å; R387-F459 HydrophobicContact CB-CE2 4.44Å; R387-F459 HydrophobicContact CB-CZ 3.89Å; R387-F459 PolarHBondContact N-O 2.94Å; R387-F459 WeakPolarHBondContact O-CD1 3.48Å; R387-F459 PolarHBondContact O-N 3.26Å; H389-F459 HydrophobicContact CB-CD1 4.31Å; H389-F459 HydrophobicContact CB-CE1 3.96Å; I431-F459 HydrophobicContact CG2-CE1 4.37Å; I431-F459 HydrophobicContact CG2-CZ 3.92Å; F459-F465 HydrophobicContact CD1-CB 3.81Å; F459-F465 HydrophobicContact CD2-CB 4.34Å; F459-F465 HydrophobicContact CE1-CB 4.05Å; F459-F465 HydrophobicContact CG-CB 3.98Å; F459-F465 HydrophobicContact CZ-CB 4.41Å |
| 460 | E | 88.7 | Confident | 85.1 | Confident | 63 Ų | 63 | 27.7 Ų | 27.7 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 151.6 | 177.7 | -71.6 | 161.7 | -159.9 | 0 | 0 | 110.1 | R386 D462 R463 | R386-E460 HydrophobicContact CG-CG 3.73Å; R386-E460 IonicContact CZ-OE1 2.7Å; R386-E460 VanDerWaalsContact CZ-OE1 3.27Å; R386-E460 IonicContact NE-OE1 3.39Å; R386-E460 PolarHBondContact NE-OE1 2.94Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 2.68Å; R386-E460 PolarHBondContact NH2-OE1 2.99Å; E460-D462 PolarHBondContact O-N 2.83Å; E460-R463 WeakPolarHBondContact O-CG 3.33Å; E460-R463 PolarHBondContact O-N 2.92Å; E460-R463 IonicContact OE1-NH2 2.75Å; E460-R463 PolarHBondContact OE1-NH2 3.05Å; E460-R463 IonicContact OE2-CZ 2.74Å; E460-R463 IonicContact OE2-NH1 2.75Å; E460-R463 PolarHBondContact OE2-NH1 3.27Å; E460-R463 IonicContact OE2-NH2 3.37Å; E460-R463 PolarHBondContact OE2-NH2 2.94Å |
| 461 | E | 85.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 30.7 Ų | 30.7 | 49% | 0.486 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -6.3 | -171.3 | -52.2 | -171.4 | 123.8 | 0 | 0 | 114.9 | R387 | R387-E461 HydrophobicContact CG-CG 4.23Å; R387-E461 IonicContact CZ-OE1 2.63Å; R387-E461 IonicContact NE-OE1 3.32Å; R387-E461 PolarHBondContact NE-OE1 3.21Å; R387-E461 IonicContact NH2-OE1 3.51Å; R387-E461 PolarHBondContact NH2-OE1 3Å |
| 462 | D | 87.7 | Confident | 86.8 | Confident | 69 Ų | 69 | 29.5 Ų | 29.5 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 3.8 | -179.4 | 80.8 | -36.9 | 0 | 0 | 0 | 114.4 | E460 R482 P483 | E460-D462 PolarHBondContact O-N 2.83Å; D462-R482 IonicContact OD2-CZ 3.82Å; D462-R482 IonicContact OD2-NH1 2.72Å; D462-R482 PolarHBondContact OD2-NH1 3.33Å; D462-R482 IonicContact OD2-NH2 3.83Å; D462-P483 WeakPolarHBondContact O-CD 3.28Å |
| 463 | R | 89.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 34 Ų | 34 | 15% | 0.151 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -152.8 | 162.9 | -173.1 | 56 | 178.4 | 167.5 | -86.8 | 16.1 | 113.2 | E460 E480 Y481 | E460-R463 WeakPolarHBondContact O-CG 3.33Å; E460-R463 PolarHBondContact O-N 2.92Å; E460-R463 IonicContact OE1-NH2 2.75Å; E460-R463 PolarHBondContact OE1-NH2 3.05Å; E460-R463 IonicContact OE2-CZ 2.74Å; E460-R463 IonicContact OE2-NH1 2.75Å; E460-R463 PolarHBondContact OE2-NH1 3.27Å; E460-R463 IonicContact OE2-NH2 3.37Å; E460-R463 PolarHBondContact OE2-NH2 2.94Å; R463-E480 WeakPolarHBondContact CB-O 3.23Å; R463-E480 WeakPolarHBondContact CD-O 3.47Å; R463-Y481 WeakPolarHBondContact CB-O 3.48Å |
| 464 | C | 90.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 155 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | Y481 C508 H515 W516 | C464-Y481 PolarHBondContact N-O 3.16Å; C464-Y481 WeakPolarHBondContact O-CB 3.45Å; C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.37Å; C464-C508 WeakPolarHBondContact SG-CA 3.48Å; C464-C508 WeakPolarHBondContact SG-CB 3.37Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.98Å; C464-H515 PolarHBondContact SG-N 2.86Å; C464-W516 HydrophobicContact CB-CD2 4.07Å; C464-W516 VanDerWaalsContact CB-CE2 3.49Å; C464-W516 HydrophobicContact CB-CG 4.48Å; C464-W516 HydrophobicContact CB-CH2 4.36Å; C464-W516 HydrophobicContact CB-CZ2 3.63Å |
| 465 | F | 88.7 | Confident | 87.4 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 156.2 | 170.7 | 63 | -97.5 | 0 | 0 | 0 | 111.1 | H389 I431 F459 P467 W516 | H389-F465 HydrophobicContact CB-CB 4.13Å; H389-F465 HydrophobicContact CB-CG 4.21Å; H389-F465 AromaticContact CE1-CD2 3.6Å; H389-F465 AromaticContact CE1-CE2 3.3Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.05Å; H389-F465 AromaticContact CE1-CZ 3.73Å; H389-F465 AromaticContact CG-CD2 3.97Å; H389-F465 AromaticContact CG-CG 3.94Å; H389-F465 AromaticContact ND1-CD2 3.54Å; H389-F465 AromaticContact ND1-CE2 3.77Å; H389-F465 AromaticContact ND1-CG 3.98Å; H389-F465 AromaticContact NE2-CE1 3.96Å; H389-F465 AromaticContact NE2-CE2 3.64Å; H389-F465 AromaticContact NE2-CZ 3.55Å; I431-F465 HydrophobicContact CD1-CD1 4.24Å; I431-F465 HydrophobicContact CD1-CE1 4.06Å; F459-F465 HydrophobicContact CD1-CB 3.81Å; F459-F465 HydrophobicContact CD2-CB 4.34Å; F459-F465 HydrophobicContact CE1-CB 4.05Å; F459-F465 HydrophobicContact CG-CB 3.98Å; F459-F465 HydrophobicContact CZ-CB 4.41Å; F465-P467 WeakPolarHBondContact O-CD 3.08Å; F465-W516 AromaticContact CD2-NE1 3.95Å; F465-W516 AromaticContact CE1-CD1 3.73Å; F465-W516 AromaticContact CE2-CD1 3.78Å; F465-W516 AromaticContact CE2-NE1 3.87Å; F465-W516 AromaticContact CZ-CD1 3.51Å; F465-W516 WeakPolarHBondContact O-CZ2 3.24Å; F465-W516 PolarHBondContact O-NE1 3.48Å |
| 466 | A | 87.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 117.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E457 Y481 | E457-A466 WeakPolarHBondContact OE1-CB 2.99Å; E457-A466 PolarHBondContact OE1-N 3.02Å; A466-Y481 HydrophobicContact CB-CD2 3.96Å; A466-Y481 HydrophobicContact CB-CE2 3.41Å; A466-Y481 VanDerWaalsContact CB-CE2 3.41Å |
| 467 | P | 86 | Confident | 87.5 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -70 | 144.3 | -176.6 | 27.4 | -32.2 | 0 | 0 | 0 | 110.9 | F465 V474 Y481 A487 F489 I506 W516 E520 | F465-P467 WeakPolarHBondContact O-CD 3.08Å; P467-V474 HydrophobicContact CG-CG1 4.23Å; P467-Y481 HydrophobicContact CG-CE1 4.49Å; P467-A487 HydrophobicContact CG-CB 3.73Å; P467-F489 HydrophobicContact CB-CE1 4.11Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.37Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; P467-I506 HydrophobicContact CB-CD1 4.05Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; P467-E520 HydrophobicContact CB-CG 3.5Å |
| 468 | F | 80.6 | Confident | 87.5 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | trans | -111.8 | 138.8 | -176.8 | 174.7 | -98.9 | 0 | 0 | 0 | 111.5 | H391 E393 A470 | H391-F468 AromaticContact CD2-CD1 3.62Å; H391-F468 AromaticContact CE1-CD1 3.99Å; H391-F468 AromaticContact NE2-CD1 3.41Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.38Å; H391-F468 AromaticContact NE2-CE1 3.96Å; E393-F468 HydrophobicContact CG-CE1 4.14Å; F468-A470 HydrophobicContact CE1-CB 3.96Å; F468-A470 HydrophobicContact CZ-CB 4.39Å | ||
| 469 | L | 82.7 | Confident | 87.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -128.5 | 102.3 | 178.4 | -174.7 | 65.3 | 0 | 0 | 0 | 109.8 | H471 G472 V474 F489 S490 P521 C523 | L469-H471 PolarHBondContact O-N 2.92Å; L469-G472 PolarHBondContact O-N 3Å; L469-V474 HydrophobicContact CB-CG2 3.81Å; L469-F489 HydrophobicContact CB-CD1 4.26Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.05Å; L469-F489 HydrophobicContact CD2-CD1 4.02Å; L469-F489 HydrophobicContact CG-CD1 4.47Å; L469-S490 VanDerWaalsContact CD2-O 3.27Å; L469-S490 WeakPolarHBondContact CD2-O 3.41Å; L469-P521 WeakPolarHBondContact CD1-O 3.46Å; L469-C523 HydrophobicContact CD1-CB 4.45Å | ||
| 470 | A | 78.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F468 G472 C523 | F468-A470 HydrophobicContact CE1-CB 3.96Å; F468-A470 HydrophobicContact CZ-CB 4.39Å; A470-G472 PolarHBondContact O-N 3.3Å; A470-C523 WeakPolarHBondContact O-CB 3.33Å |
| 471 | H | 83.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 53 Ų | 53 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.5 | -179.2 | -51.3 | -63 | 0 | 0 | 0 | 115.4 | L469 L492 Y495 C523 P544 | L469-H471 PolarHBondContact O-N 2.92Å; H471-L492 WeakPolarHBondContact O-CB 3.22Å; H471-L492 WeakPolarHBondContact O-CG 3.5Å; H471-L492 PolarHBondContact O-N 2.88Å; H471-Y495 HydrophobicContact CB-CD1 3.73Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.57Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 4Å; H471-Y495 AromaticContact CG-CE1 3.49Å; H471-Y495 VanDerWaalsContact CG-CE1 3.49Å; H471-Y495 AromaticContact CG-CZ 3.51Å; H471-Y495 AromaticContact ND1-CZ 3.78Å; H471-Y495 PolarHBondContact ND1-OH 3.33Å; H471-C523 HydrophobicContact CB-CB 4.49Å; H471-P544 VanDerWaalsContact NE2-CD 3.31Å; H471-P544 WeakPolarHBondContact NE2-CD 3.39Å |
| 472 | G | 85.4 | Confident | 87.7 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | -177.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L469 A470 S490 | L469-G472 PolarHBondContact O-N 3Å; A470-G472 PolarHBondContact O-N 3.3Å; G472-S490 CarbonylContact C-O 3.58Å; G472-S490 WeakPolarHBondContact CA-O 3.42Å |
| 473 | N | 88.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.9 | 174.6 | -57.5 | -55.6 | 0 | 0 | 0 | 110 | S490 | N473-S490 PolarHBondContact N-O 3.48Å; N473-S490 PolarHBondContact O-N 2.86Å; N473-S490 PolarHBondContact O-OG 2.86Å |
| 474 | V | 89.3 | Confident | 88 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.9 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | P467 L469 A487 T488 F489 | P467-V474 HydrophobicContact CG-CG1 4.23Å; L469-V474 HydrophobicContact CB-CG2 3.81Å; V474-A487 HydrophobicContact CG1-CB 4.14Å; V474-T488 WeakPolarHBondContact CA-O 3.42Å; V474-F489 HydrophobicContact CG1-CD1 4.42Å; V474-F489 HydrophobicContact CG1-CE1 4.23Å; V474-F489 HydrophobicContact CG2-CD1 3.89Å; V474-F489 HydrophobicContact CG2-CE1 3.93Å |
| 475 | T | 90.9 | Very high | 88.1 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.1 | 173.2 | 37.4 | 0 | 0 | 0 | 0 | 110.4 | T488 | T475-T488 PolarHBondContact N-O 3.44Å; T475-T488 PolarHBondContact O-N 3.04Å; T475-T488 PolarHBondContact O-OG1 2.95Å; T475-T488 PolarHBondContact OG1-OG1 2.91Å |
| 476 | T | 91.1 | Very high | 88.3 | Confident | 45 Ų | 45 | 54 Ų | 54 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.6 | -173.8 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | D478 Y481 L486 | T476-D478 VanDerWaalsContact C-N 3.35Å; T476-D478 VanDerWaalsContact CG2-O 3.28Å; T476-D478 WeakPolarHBondContact CG2-O 3.35Å; T476-D478 PolarHBondContact OG1-N 3.03Å; T476-D478 VanDerWaalsContact OG1-N 3.16Å; T476-D478 PolarHBondContact OG1-O 3.14Å; T476-Y481 HydrophobicContact CG2-CE1 3.82Å; T476-L486 WeakPolarHBondContact CA-O 3.45Å |
| 477 | T | 91.7 | Very high | 88.5 | Confident | 100 Ų | 100 | 53 Ų | 53 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -74.5 | -24.1 | 169.5 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | L486 | T477-L486 HydrophobicContact CG2-CB 4.03Å; T477-L486 PolarHBondContact N-O 3.07Å; T477-L486 PolarHBondContact OG1-N 3.08Å |
| 478 | D | 89.9 | Confident | 88.7 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | trans | -137.8 | 118.4 | 176.2 | -176 | -7.5 | 0 | 0 | 0 | 109.6 | T476 E480 Y481 R482 A485 | T476-D478 VanDerWaalsContact C-N 3.35Å; T476-D478 VanDerWaalsContact CG2-O 3.28Å; T476-D478 WeakPolarHBondContact CG2-O 3.35Å; T476-D478 PolarHBondContact OG1-N 3.03Å; T476-D478 VanDerWaalsContact OG1-N 3.16Å; T476-D478 PolarHBondContact OG1-O 3.14Å; D478-E480 PolarHBondContact O-N 3.05Å; D478-E480 PolarHBondContact OD1-N 3.5Å; D478-Y481 PolarHBondContact O-N 3.49Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; D478-R482 WeakPolarHBondContact OD2-CB 3.18Å; D478-R482 WeakPolarHBondContact OD2-CG 3.47Å; D478-A485 HydrophobicContact CB-CB 3.92Å | ||
| 479 | P | 88.2 | Confident | 89.1 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.2 | 177.5 | 30.8 | -37 | 0 | 0 | 0 | 113.8 | ||
| 480 | E | 88 | Confident | 89.5 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.1 | 172.4 | -60.8 | -169.3 | 158.1 | 0 | 0 | 112.9 | R463 D478 R482 | R463-E480 WeakPolarHBondContact CB-O 3.23Å; R463-E480 WeakPolarHBondContact CD-O 3.47Å; D478-E480 PolarHBondContact O-N 3.05Å; D478-E480 PolarHBondContact OD1-N 3.5Å; E480-R482 HydrophobicContact CB-CG 4.02Å; E480-R482 PolarHBondContact O-N 3.31Å; E480-R482 IonicContact OE2-CZ 3.17Å; E480-R482 IonicContact OE2-NE 3.69Å; E480-R482 PolarHBondContact OE2-NE 3.3Å; E480-R482 IonicContact OE2-NH2 2.72Å; E480-R482 PolarHBondContact OE2-NH2 2.76Å |
| 481 | Y | 91.1 | Very high | 90 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | trans | 47.6 | 36 | 172.6 | -58.7 | -69.9 | 0 | 0 | 0 | 115.2 | R463 C464 A466 P467 T476 D478 A487 C508 W516 | R463-Y481 WeakPolarHBondContact CB-O 3.48Å; C464-Y481 PolarHBondContact N-O 3.16Å; C464-Y481 WeakPolarHBondContact O-CB 3.45Å; A466-Y481 HydrophobicContact CB-CD2 3.96Å; A466-Y481 HydrophobicContact CB-CE2 3.41Å; A466-Y481 VanDerWaalsContact CB-CE2 3.41Å; P467-Y481 HydrophobicContact CG-CE1 4.49Å; T476-Y481 HydrophobicContact CG2-CE1 3.82Å; D478-Y481 PolarHBondContact O-N 3.49Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; Y481-A487 HydrophobicContact CE1-CB 4.36Å; Y481-C508 PolarHBondContact O-SG 3.47Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CE1-CH2 4.48Å; Y481-W516 HydrophobicContact CE1-CZ2 4.47Å; Y481-W516 HydrophobicContact CG-CZ2 4.28Å | ||
| 482 | R | 92.3 | Very high | 90.3 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | trans | -68.6 | 160.7 | -179.6 | -61 | -177.6 | 168.4 | -70.8 | -8 | 111.1 | D462 D478 E480 G484 A485 | D462-R482 IonicContact OD2-CZ 3.82Å; D462-R482 IonicContact OD2-NH1 2.72Å; D462-R482 PolarHBondContact OD2-NH1 3.33Å; D462-R482 IonicContact OD2-NH2 3.83Å; D478-R482 WeakPolarHBondContact OD2-CB 3.18Å; D478-R482 WeakPolarHBondContact OD2-CG 3.47Å; E480-R482 HydrophobicContact CB-CG 4.02Å; E480-R482 PolarHBondContact O-N 3.31Å; E480-R482 IonicContact OE2-CZ 3.17Å; E480-R482 IonicContact OE2-NE 3.69Å; E480-R482 PolarHBondContact OE2-NE 3.3Å; E480-R482 IonicContact OE2-NH2 2.72Å; E480-R482 PolarHBondContact OE2-NH2 2.76Å; R482-G484 PolarHBondContact O-N 3.42Å; R482-A485 WeakPolarHBondContact O-CB 3.22Å; R482-A485 PolarHBondContact O-N 2.87Å | ||
| 483 | P | 93.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 123.6 | 174 | -28.8 | 36.1 | 0 | 0 | 0 | 112.3 | D462 C508 P511 P514 | D462-P483 WeakPolarHBondContact O-CD 3.28Å; P483-C508 CarbonylContact C-O 3.43Å; P483-C508 WeakPolarHBondContact CA-O 3.42Å; P483-P511 HydrophobicContact CB-CB 4.31Å; P483-P514 HydrophobicContact CG-CB 4.17Å; P483-P514 HydrophobicContact CG-CG 3.92Å |
| 484 | G | 90.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -0.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R482 C508 | R482-G484 PolarHBondContact O-N 3.42Å; G484-C508 PolarHBondContact N-O 2.78Å |
| 485 | A | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | trans | -72.5 | 139.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | D478 R482 E507 C508 | D478-A485 HydrophobicContact CB-CB 3.92Å; R482-A485 WeakPolarHBondContact O-CB 3.22Å; R482-A485 PolarHBondContact O-N 2.87Å; A485-E507 CarbonylContact O-C 3.59Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; A485-C508 HydrophobicContact CB-CB 4.35Å; A485-C508 PolarHBondContact O-N 3.44Å | ||
| 486 | L | 93.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.9 | 177.3 | -176.1 | 79.9 | 0 | 0 | 0 | 109 | T476 T477 T488 A505 I506 E507 | T476-L486 WeakPolarHBondContact CA-O 3.45Å; T477-L486 HydrophobicContact CG2-CB 4.03Å; T477-L486 PolarHBondContact N-O 3.07Å; T477-L486 PolarHBondContact OG1-N 3.08Å; L486-T488 HydrophobicContact CD2-CG2 4.14Å; L486-T488 HydrophobicContact CG-CG2 4.34Å; L486-A505 HydrophobicContact CD1-CB 3.94Å; L486-A505 HydrophobicContact CD2-CB 4.43Å; L486-A505 HydrophobicContact CG-CB 4.13Å; L486-I506 CarbonylContact C-O 3.57Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; L486-E507 HydrophobicContact CD1-CB 4.24Å |
| 487 | A | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P467 V474 Y481 A505 I506 W516 | P467-A487 HydrophobicContact CG-CB 3.73Å; V474-A487 HydrophobicContact CG1-CB 4.14Å; Y481-A487 HydrophobicContact CE1-CB 4.36Å; A487-A505 CarbonylContact O-C 3.45Å; A487-A505 WeakPolarHBondContact O-CA 3.37Å; A487-A505 WeakPolarHBondContact O-CB 3.44Å; A487-I506 HydrophobicContact CB-CG1 4.15Å; A487-I506 PolarHBondContact N-O 3.49Å; A487-I506 PolarHBondContact O-N 3.31Å; A487-W516 HydrophobicContact CB-CH2 3.9Å; A487-W516 HydrophobicContact CB-CZ3 4.2Å |
| 488 | T | 90.9 | Very high | 89.4 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144.7 | -179 | 64.6 | 0 | 0 | 0 | 0 | 111 | V474 T475 L486 A505 | V474-T488 WeakPolarHBondContact CA-O 3.42Å; T475-T488 PolarHBondContact N-O 3.44Å; T475-T488 PolarHBondContact O-N 3.04Å; T475-T488 PolarHBondContact O-OG1 2.95Å; T475-T488 PolarHBondContact OG1-OG1 2.91Å; L486-T488 HydrophobicContact CD2-CG2 4.14Å; L486-T488 HydrophobicContact CG-CG2 4.34Å; T488-A505 HydrophobicContact CG2-CB 3.7Å |
| 489 | F | 89.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.4 | -170.5 | -60.3 | -79.4 | 0 | 0 | 0 | 112.7 | P467 L469 V474 L497 N504 I506 E520 P521 | P467-F489 HydrophobicContact CB-CE1 4.11Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.37Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; L469-F489 HydrophobicContact CB-CD1 4.26Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.05Å; L469-F489 HydrophobicContact CD2-CD1 4.02Å; L469-F489 HydrophobicContact CG-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CD1 4.42Å; V474-F489 HydrophobicContact CG1-CE1 4.23Å; V474-F489 HydrophobicContact CG2-CD1 3.89Å; V474-F489 HydrophobicContact CG2-CE1 3.93Å; F489-L497 HydrophobicContact CB-CD2 4.18Å; F489-N504 PolarHBondContact N-O 3.05Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.07Å; F489-I506 HydrophobicContact CE2-CG1 3.74Å; F489-I506 HydrophobicContact CE2-CG2 4.1Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.82Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.31Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 4.11Å; F489-P521 HydrophobicContact CB-CG 3.81Å; F489-P521 HydrophobicContact CD1-CG 4.22Å; F489-P521 VanDerWaalsContact CD2-CD 3.44Å; F489-P521 HydrophobicContact CD2-CG 3.62Å; F489-P521 HydrophobicContact CE2-CG 4.22Å; F489-P521 HydrophobicContact CG-CG 3.61Å |
| 490 | S | 89.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 137.5 | 176.9 | 60.7 | 0 | 0 | 0 | 0 | 111 | L469 G472 N473 | L469-S490 VanDerWaalsContact CD2-O 3.27Å; L469-S490 WeakPolarHBondContact CD2-O 3.41Å; G472-S490 CarbonylContact C-O 3.58Å; G472-S490 WeakPolarHBondContact CA-O 3.42Å; N473-S490 PolarHBondContact N-O 3.48Å; N473-S490 PolarHBondContact O-N 2.86Å; N473-S490 PolarHBondContact O-OG 2.86Å |
| 491 | C | 89.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 156.5 | -179.6 | -61.6 | 0 | 0 | 0 | 0 | 113 | Y495 L497 C523 | C491-Y495 WeakPolarHBondContact CB-O 3.28Å; C491-L497 WeakPolarHBondContact SG-CD2 3.39Å; C491-L497 PolarHBondContact SG-N 2.83Å; C491-C523 WeakPolarHBondContact CA-SG 3.39Å; C491-C523 HydrophobicContact CB-CB 3.9Å; C491-C523 WeakPolarHBondContact CB-SG 3.29Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.88Å |
| 492 | L | 90.1 | Very high | 84.6 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 156.5 | 168.9 | -66 | 175.9 | 0 | 0 | 0 | 111.1 | H471 G494 Y495 | H471-L492 WeakPolarHBondContact O-CB 3.22Å; H471-L492 WeakPolarHBondContact O-CG 3.5Å; H471-L492 PolarHBondContact O-N 2.88Å; L492-G494 PolarHBondContact O-N 3.32Å; L492-Y495 HydrophobicContact CB-CD2 4.2Å; L492-Y495 PolarHBondContact O-N 2.81Å |
| 493 | P | 88.1 | Confident | 83.2 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.3 | 178.6 | -27.8 | 36 | 0 | 0 | 0 | 113.1 | V537 | P493-V537 HydrophobicContact CB-CG2 4.15Š|
| 494 | G | 85.3 | Confident | 82.5 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -9.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | L492 V537 | L492-G494 PolarHBondContact O-N 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.47Å |
| 495 | Y | 88.5 | Confident | 82.4 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | trans | -113.8 | 153.2 | 175 | -57.2 | -103.1 | 0 | 0 | 0 | 111 | H471 C491 L492 K524 A525 L539 W543 | H471-Y495 HydrophobicContact CB-CD1 3.73Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.57Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 4Å; H471-Y495 AromaticContact CG-CE1 3.49Å; H471-Y495 VanDerWaalsContact CG-CE1 3.49Å; H471-Y495 AromaticContact CG-CZ 3.51Å; H471-Y495 AromaticContact ND1-CZ 3.78Å; H471-Y495 PolarHBondContact ND1-OH 3.33Å; C491-Y495 WeakPolarHBondContact CB-O 3.28Å; L492-Y495 HydrophobicContact CB-CD2 4.2Å; L492-Y495 PolarHBondContact O-N 2.81Å; Y495-K524 CarbonylContact C-O 3.56Å; Y495-K524 WeakPolarHBondContact CA-O 3.46Å; Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-L539 HydrophobicContact CD1-CD1 4.47Å; Y495-L539 HydrophobicContact CD2-CD1 3.79Å; Y495-L539 HydrophobicContact CE1-CD1 4.13Å; Y495-L539 HydrophobicContact CE2-CD1 3.4Å; Y495-L539 VanDerWaalsContact CE2-CD1 3.4Å; Y495-L539 HydrophobicContact CG-CD1 4.3Å; Y495-W543 VanDerWaalsContact CE1-O 3.32Å; Y495-W543 WeakPolarHBondContact CE1-O 3.49Å | ||
| 496 | A | 86.9 | Confident | 82.2 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 159.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C523 K524 M526 | A496-C523 WeakPolarHBondContact O-CA 3.38Å; A496-K524 PolarHBondContact N-O 2.8Å; A496-K524 PolarHBondContact O-N 3.09Å; A496-M526 HydrophobicContact CB-CG 3.72Å |
| 497 | L | 86.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.7 | 179.7 | -66.5 | 170.5 | 0 | 0 | 0 | 111.3 | F489 C491 N504 P521 A522 | F489-L497 HydrophobicContact CB-CD2 4.18Å; C491-L497 WeakPolarHBondContact SG-CD2 3.39Å; C491-L497 PolarHBondContact SG-N 2.83Å; L497-N504 HydrophobicContact CD1-CB 4.16Å; L497-P521 HydrophobicContact CD2-CB 4.03Å; L497-P521 HydrophobicContact CD2-CG 3.83Å; L497-A522 CarbonylContact C-O 3.55Å; L497-A522 WeakPolarHBondContact CA-O 3.32Å |
| 498 | E | 82.2 | Confident | 82.2 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.6 | 168.2 | -169.7 | 179.1 | -143.4 | 0 | 0 | 109.5 | A522 K524 | E498-A522 PolarHBondContact N-O 2.84Å; E498-A522 PolarHBondContact O-N 2.88Å; E498-K524 VanDerWaalsContact OE2-CD 3.24Å; E498-K524 WeakPolarHBondContact OE2-CD 3.06Å; E498-K524 WeakPolarHBondContact OE2-CE 3.39Å; E498-K524 IonicContact OE2-NZ 3.5Å; E498-K524 PolarHBondContact OE2-NZ 2.85Å |
| 499 | P | 71.9 | Confident | 82.2 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | S | Bend | cis | -68.3 | 149.2 | -2.7 | 29.9 | -35.9 | 0 | 0 | 0 | 112.9 | G501 | P499-G501 VanDerWaalsContact C-N 3.35Å; P499-G501 PolarHBondContact O-N 2.89Å |
| 500 | P | 62.4 | Low | 82.1 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 75% | 0.747 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75 | 82.4 | -177.3 | 30.3 | -35.8 | 0 | 0 | 0 | 112.1 | ||
| 501 | G | 59.3 | Low | 82 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 176.6 | 174.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | P499 | P499-G501 VanDerWaalsContact C-N 3.35Å; P499-G501 PolarHBondContact O-N 2.89Å |
| 502 | P | 62.6 | Low | 81.8 | Confident | 119 Ų | 119 | 65 Ų | 65 | 77% | 0.773 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -69.6 | 150.1 | 165 | 31.2 | -33.7 | 0 | 0 | 0 | 110.4 | ||
| 503 | P | 63.4 | Low | 81.6 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 47% | 0.468 | 42% | 0.416 | S | S | . | . | cis | -82.3 | 124.7 | 11 | 31.5 | -34.1 | 0 | 0 | 0 | 113.9 | A505 | P503-A505 WeakPolarHBondContact CB-O 3.38Å; P503-A505 PolarHBondContact O-N 2.87Å | ||
| 504 | N | 79.2 | Confident | 81.6 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -85.6 | 20 | 166.3 | 67.7 | -48.9 | 0 | 0 | 0 | 112 | F489 L497 | F489-N504 PolarHBondContact N-O 3.05Å; L497-N504 HydrophobicContact CD1-CB 4.16Å |
| 505 | A | 87.2 | Confident | 81.7 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 137.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L486 A487 T488 P503 | L486-A505 HydrophobicContact CD1-CB 3.94Å; L486-A505 HydrophobicContact CD2-CB 4.43Å; L486-A505 HydrophobicContact CG-CB 4.13Å; A487-A505 CarbonylContact O-C 3.45Å; A487-A505 WeakPolarHBondContact O-CA 3.37Å; A487-A505 WeakPolarHBondContact O-CB 3.44Å; T488-A505 HydrophobicContact CG2-CB 3.7Å; P503-A505 WeakPolarHBondContact CB-O 3.38Å; P503-A505 PolarHBondContact O-N 2.87Å |
| 506 | I | 89.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.5 | 176.2 | 60.8 | -179.9 | 0 | 0 | 0 | 111.2 | P467 L486 A487 F489 W516 N517 D518 E520 | P467-I506 HydrophobicContact CB-CD1 4.05Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; L486-I506 CarbonylContact C-O 3.57Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; A487-I506 HydrophobicContact CB-CG1 4.15Å; A487-I506 PolarHBondContact N-O 3.49Å; A487-I506 PolarHBondContact O-N 3.31Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.07Å; F489-I506 HydrophobicContact CE2-CG1 3.74Å; F489-I506 HydrophobicContact CE2-CG2 4.1Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.82Å; I506-W516 HydrophobicContact CB-CE3 3.97Å; I506-W516 HydrophobicContact CD1-CB 4.08Å; I506-W516 HydrophobicContact CD1-CD2 3.54Å; I506-W516 HydrophobicContact CD1-CE3 3.67Å; I506-W516 HydrophobicContact CD1-CG 3.71Å; I506-W516 HydrophobicContact CD1-CZ3 4.33Å; I506-W516 HydrophobicContact CG1-CD2 3.91Å; I506-W516 HydrophobicContact CG1-CE3 3.46Å; I506-W516 VanDerWaalsContact CG1-CE3 3.46Å; I506-W516 HydrophobicContact CG1-CG 4.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-W516 WeakPolarHBondContact O-CZ3 3.34Å; I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; I506-D518 HydrophobicContact CG2-CB 4.04Å; I506-E520 HydrophobicContact CD1-CG 4.28Å |
| 507 | E | 90.9 | Very high | 81.8 | Confident | 87 Ų | 87 | 69 Ų | 69 | 41% | 0.407 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.5 | -178.3 | -171.2 | -179.4 | 178 | 0 | 0 | 110.4 | A485 L486 V509 N517 | A485-E507 CarbonylContact O-C 3.59Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.19Å; E507-V509 PolarHBondContact O-N 3.32Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 3.46Å; E507-N517 PolarHBondContact O-OD1 2.92Å |
| 508 | C | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 109.5 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | C464 Y481 P483 G484 A485 W516 | C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.37Å; C464-C508 WeakPolarHBondContact SG-CA 3.48Å; C464-C508 WeakPolarHBondContact SG-CB 3.37Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.98Å; Y481-C508 PolarHBondContact O-SG 3.47Å; P483-C508 CarbonylContact C-O 3.43Å; P483-C508 WeakPolarHBondContact CA-O 3.42Å; G484-C508 PolarHBondContact N-O 2.78Å; A485-C508 HydrophobicContact CB-CB 4.35Å; A485-C508 PolarHBondContact O-N 3.44Å; C508-W516 HydrophobicContact CB-CE3 4.05Å; C508-W516 HydrophobicContact CB-CH2 4Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å |
| 509 | V | 91.6 | Very high | 81.6 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 164 | -173.6 | -66.8 | 0 | 0 | 0 | 0 | 112 | E507 P514 H515 N517 | E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.19Å; E507-V509 PolarHBondContact O-N 3.32Å; V509-P514 WeakPolarHBondContact O-CA 3.31Å; V509-H515 VanDerWaalsContact CG2-O 3.26Å; V509-H515 WeakPolarHBondContact CG2-O 3.16Å; V509-H515 PolarHBondContact N-O 3.49Å; V509-H515 PolarHBondContact O-N 3.44Å; V509-N517 HydrophobicContact CG1-CB 3.98Å; V509-N517 HydrophobicContact CG2-CB 3.92Å |
| 510 | D | 86.9 | Confident | 82 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | 63.6 | 114.8 | -173.7 | -156.8 | -62.4 | 0 | 0 | 0 | 115.1 | T512 E513 P514 | D510-T512 VanDerWaalsContact C-N 3.26Å; D510-T512 PolarHBondContact O-N 2.68Å; D510-T512 WeakPolarHBondContact OD1-CA 3.44Å; D510-T512 WeakPolarHBondContact OD1-CB 3.35Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 2.87Å; D510-E513 PolarHBondContact OD1-N 3.13Å; D510-P514 WeakPolarHBondContact O-CA 3.48Å | ||
| 511 | P | 86.8 | Confident | 83.1 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 72% | 0.721 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -83.6 | 5.6 | 179 | 36.3 | -36.6 | 0 | 0 | 0 | 114 | P483 | P483-P511 HydrophobicContact CB-CB 4.31Š|
| 512 | T | 86.4 | Confident | 84.2 | Confident | 126 Ų | 126 | 60.7 Ų | 60.7 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -117.2 | -29.2 | 179.2 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | D510 | D510-T512 VanDerWaalsContact C-N 3.26Å; D510-T512 PolarHBondContact O-N 2.68Å; D510-T512 WeakPolarHBondContact OD1-CA 3.44Å; D510-T512 WeakPolarHBondContact OD1-CB 3.35Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 2.87Å |
| 513 | E | 85.6 | Confident | 85.4 | Confident | 134 Ų | 134 | 55.5 Ų | 55.5 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -139 | 80.9 | 168.1 | -174.1 | 160.1 | -144.8 | 0 | 0 | 109.5 | D510 H515 | D510-E513 PolarHBondContact OD1-N 3.13Å; E513-H515 PolarHBondContact O-N 2.56Å; E513-H515 PolarHBondContact O-ND1 3.36Å |
| 514 | P | 88.2 | Confident | 86.4 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 17% | 0.169 | 31% | 0.311 | C | S | . | . | trans | -60.8 | 122.8 | -169.8 | -27 | 37.1 | 0 | 0 | 0 | 113.9 | P483 V509 D510 | P483-P514 HydrophobicContact CG-CB 4.17Å; P483-P514 HydrophobicContact CG-CG 3.92Å; V509-P514 WeakPolarHBondContact O-CA 3.31Å; D510-P514 WeakPolarHBondContact O-CA 3.48Å | ||
| 515 | H | 88 | Confident | 86.9 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.44 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.9 | 179 | 60.4 | -82.4 | 0 | 0 | 0 | 112.3 | C464 V509 E513 | C464-H515 PolarHBondContact SG-N 2.86Å; V509-H515 VanDerWaalsContact CG2-O 3.26Å; V509-H515 WeakPolarHBondContact CG2-O 3.16Å; V509-H515 PolarHBondContact N-O 3.49Å; V509-H515 PolarHBondContact O-N 3.44Å; E513-H515 PolarHBondContact O-N 2.56Å; E513-H515 PolarHBondContact O-ND1 3.36Å |
| 516 | W | 88 | Confident | 86.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.9 | 173.8 | -67.8 | 116.3 | 0 | 0 | 0 | 111.4 | C464 F465 P467 Y481 A487 I506 C508 D518 | C464-W516 HydrophobicContact CB-CD2 4.07Å; C464-W516 VanDerWaalsContact CB-CE2 3.49Å; C464-W516 HydrophobicContact CB-CG 4.48Å; C464-W516 HydrophobicContact CB-CH2 4.36Å; C464-W516 HydrophobicContact CB-CZ2 3.63Å; F465-W516 AromaticContact CD2-NE1 3.95Å; F465-W516 AromaticContact CE1-CD1 3.73Å; F465-W516 AromaticContact CE2-CD1 3.78Å; F465-W516 AromaticContact CE2-NE1 3.87Å; F465-W516 AromaticContact CZ-CD1 3.51Å; F465-W516 WeakPolarHBondContact O-CZ2 3.24Å; F465-W516 PolarHBondContact O-NE1 3.48Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CE1-CH2 4.48Å; Y481-W516 HydrophobicContact CE1-CZ2 4.47Å; Y481-W516 HydrophobicContact CG-CZ2 4.28Å; A487-W516 HydrophobicContact CB-CH2 3.9Å; A487-W516 HydrophobicContact CB-CZ3 4.2Å; I506-W516 HydrophobicContact CB-CE3 3.97Å; I506-W516 HydrophobicContact CD1-CB 4.08Å; I506-W516 HydrophobicContact CD1-CD2 3.54Å; I506-W516 HydrophobicContact CD1-CE3 3.67Å; I506-W516 HydrophobicContact CD1-CG 3.71Å; I506-W516 HydrophobicContact CD1-CZ3 4.33Å; I506-W516 HydrophobicContact CG1-CD2 3.91Å; I506-W516 HydrophobicContact CG1-CE3 3.46Å; I506-W516 VanDerWaalsContact CG1-CE3 3.46Å; I506-W516 HydrophobicContact CG1-CG 4.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-W516 WeakPolarHBondContact O-CZ3 3.34Å; C508-W516 HydrophobicContact CB-CE3 4.05Å; C508-W516 HydrophobicContact CB-CH2 4Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; W516-D518 VanDerWaalsContact C-N 3.32Å; W516-D518 PolarHBondContact O-N 3.23Å |
| 517 | N | 88.8 | Confident | 86.9 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -68.4 | -28.1 | -178.9 | 66.6 | -16.5 | 0 | 0 | 0 | 114 | I506 E507 V509 | I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 3.46Å; E507-N517 PolarHBondContact O-OD1 2.92Å; V509-N517 HydrophobicContact CG1-CB 3.98Å; V509-N517 HydrophobicContact CG2-CB 3.92Å |
| 518 | D | 84.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -145.4 | 177.5 | 179.4 | -148.6 | -12.7 | 0 | 0 | 0 | 110.4 | I506 W516 | I506-D518 HydrophobicContact CG2-CB 4.04Å; W516-D518 VanDerWaalsContact C-N 3.32Å; W516-D518 PolarHBondContact O-N 3.23Å |
| 519 | T | 80.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 153.7 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | R428 | R428-T519 HydrophobicContact CG-CG2 3.65Å; R428-T519 VanDerWaalsContact NE-CG2 3.25Å |
| 520 | E | 81.3 | Confident | 86.7 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 132 | 163.3 | -57.3 | 98.6 | 122 | 0 | 0 | 111.2 | P467 F489 I506 | P467-E520 HydrophobicContact CB-CG 3.5Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.31Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 4.11Å; I506-E520 HydrophobicContact CD1-CG 4.28Å |
| 521 | P | 84.6 | Confident | 86.9 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 155.5 | 173.3 | 32.2 | -35.3 | 0 | 0 | 0 | 111.2 | L469 F489 L497 | L469-P521 WeakPolarHBondContact CD1-O 3.46Å; F489-P521 HydrophobicContact CB-CG 3.81Å; F489-P521 HydrophobicContact CD1-CG 4.22Å; F489-P521 VanDerWaalsContact CD2-CD 3.44Å; F489-P521 HydrophobicContact CD2-CG 3.62Å; F489-P521 HydrophobicContact CE2-CG 4.22Å; F489-P521 HydrophobicContact CG-CG 3.61Å; L497-P521 HydrophobicContact CD2-CB 4.03Å; L497-P521 HydrophobicContact CD2-CG 3.83Å |
| 522 | A | 82.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 62 Ų | 62 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L497 E498 | L497-A522 CarbonylContact C-O 3.55Å; L497-A522 WeakPolarHBondContact CA-O 3.32Å; E498-A522 PolarHBondContact N-O 2.84Å; E498-A522 PolarHBondContact O-N 2.88Å |
| 523 | C | 87.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.8 | 165.5 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | L469 A470 H471 C491 A496 | L469-C523 HydrophobicContact CD1-CB 4.45Å; A470-C523 WeakPolarHBondContact O-CB 3.33Å; H471-C523 HydrophobicContact CB-CB 4.49Å; C491-C523 WeakPolarHBondContact CA-SG 3.39Å; C491-C523 HydrophobicContact CB-CB 3.9Å; C491-C523 WeakPolarHBondContact CB-SG 3.29Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.88Å; A496-C523 WeakPolarHBondContact O-CA 3.38Å |
| 524 | K | 85.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.9 | 177.1 | -66.9 | -171.3 | -171.3 | 162.7 | 0 | 112.4 | Y495 A496 E498 M526 | Y495-K524 CarbonylContact C-O 3.56Å; Y495-K524 WeakPolarHBondContact CA-O 3.46Å; A496-K524 PolarHBondContact N-O 2.8Å; A496-K524 PolarHBondContact O-N 3.09Å; E498-K524 VanDerWaalsContact OE2-CD 3.24Å; E498-K524 WeakPolarHBondContact OE2-CD 3.06Å; E498-K524 WeakPolarHBondContact OE2-CE 3.39Å; E498-K524 IonicContact OE2-NZ 3.5Å; E498-K524 PolarHBondContact OE2-NZ 2.85Å; K524-M526 PolarHBondContact O-N 2.8Å |
| 525 | A | 89.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | trans | -76.4 | 109.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y495 L539 S540 D542 W543 | Y495-A525 HydrophobicContact CD1-CB 4.46Å; A525-L539 HydrophobicContact CB-CB 3.89Å; A525-L539 HydrophobicContact CB-CD1 4.12Å; A525-S540 WeakPolarHBondContact CB-O 3.38Å; A525-D542 PolarHBondContact O-N 3.15Å; A525-W543 HydrophobicContact CB-CB 4.12Å | ||
| 526 | M | 86.9 | Confident | 87.9 | Confident | 77 Ų | 77 | 56 Ų | 56 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | trans | -79.5 | 143 | -170.4 | -60.2 | -62.1 | -82.4 | 0 | 0 | 113.1 | A496 K524 G528 W555 | A496-M526 HydrophobicContact CB-CG 3.72Å; K524-M526 PolarHBondContact O-N 2.8Å; M526-G528 PolarHBondContact O-N 2.87Å; M526-G528 VanDerWaalsContact O-N 3.07Å; M526-W555 WeakPolarHBondContact O-CZ2 3.45Å; M526-W555 PolarHBondContact O-NE1 3.4Å | ||
| 527 | C | 89.8 | Confident | 88.2 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -73.6 | 94.5 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | P541 C553 | C527-P541 HydrophobicContact CB-CB 4.46Å; C527-P541 HydrophobicContact CB-CG 4.1Å; C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.05Å; C527-C553 WeakPolarHBondContact CB-SG 3.27Å; C527-C553 WeakPolarHBondContact SG-CA 3.5Å; C527-C553 WeakPolarHBondContact SG-CB 3.48Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.92Å |
| 528 | G | 89.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 85.7 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M526 V554 W555 | M526-G528 PolarHBondContact O-N 2.87Å; M526-G528 VanDerWaalsContact O-N 3.07Å; G528-V554 CarbonylContact C-O 3.55Å; G528-V554 WeakPolarHBondContact CA-O 3.34Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.3Å |
| 529 | G | 89.8 | Confident | 88.7 | Confident | 40 Ų | 40 | 50 Ų | 50 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.3 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V554 W555 G556 | G529-V554 PolarHBondContact N-O 2.84Å; G529-W555 CarbonylContact O-C 3.49Å; G529-W555 VanDerWaalsContact O-CA 3.23Å; G529-W555 WeakPolarHBondContact O-CA 3.29Å; G529-G556 PolarHBondContact O-N 2.83Å |
| 530 | E | 91.1 | Very high | 89.2 | Confident | 187 Ų | 187 | 48 Ų | 48 | 87% | 0.874 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.6 | 172.7 | -71 | 176.2 | -173.3 | 0 | 0 | 110 | G556 | E530-G556 WeakPolarHBondContact CA-O 3.44Å |
| 531 | L | 90.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 110.4 | -172 | -71.4 | 170.8 | 0 | 0 | 0 | 109.5 | V538 G556 L557 H558 F635 | L531-V538 HydrophobicContact CD1-CG2 3.81Å; L531-G556 PolarHBondContact N-O 2.85Å; L531-L557 HydrophobicContact CB-CD2 3.91Å; L531-L557 HydrophobicContact CD1-CD2 3.83Å; L531-L557 WeakPolarHBondContact O-CA 3.23Å; L531-H558 PolarHBondContact O-N 3.34Å; L531-F635 HydrophobicContact CB-CZ 4.23Å; L531-F635 HydrophobicContact CD1-CE1 4.27Å |
| 532 | S | 91.9 | Very high | 89.4 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | trans | -110.3 | 12.9 | -173.6 | 45.2 | 0 | 0 | 0 | 0 | 114.4 | H558 | S532-H558 CarbonylContact C-O 3.57Å; S532-H558 WeakPolarHBondContact CA-O 3.32Å | ||
| 533 | E | 89.8 | Confident | 89.4 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | trans | -77.3 | 148.7 | -178.7 | -66.3 | -61 | 153.1 | 0 | 0 | 112.4 | A535 F635 | E533-A535 PolarHBondContact O-N 3.4Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å | ||
| 534 | P | 89.9 | Confident | 88.6 | Confident | 66 Ų | 66 | 51.2 Ų | 51.2 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -67.5 | -18.9 | 178 | 29 | -35.6 | 0 | 0 | 0 | 113 | K636 E637 | P534-K636 CarbonylContact O-C 3.59Å; P534-K636 WeakPolarHBondContact O-CA 3.3Å; P534-E637 HydrophobicContact CB-CG 4.09Å; P534-E637 PolarHBondContact O-N 3.42Å |
| 535 | A | 92.9 | Very high | 88.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 150.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E533 F635 K636 | E533-A535 PolarHBondContact O-N 3.4Å; A535-F635 CarbonylContact C-O 3.57Å; A535-F635 VanDerWaalsContact CA-O 3.28Å; A535-F635 WeakPolarHBondContact CA-O 3.37Å; A535-K636 HydrophobicContact CB-CB 3.73Å |
| 536 | G | 91.8 | Very high | 87.3 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | -166.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | F635 | G536-F635 PolarHBondContact N-O 2.93Å; G536-F635 WeakPolarHBondContact O-CD1 3.31Å; G536-F635 PolarHBondContact O-N 3.07Å |
| 537 | V | 93.8 | Very high | 87 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.2 | -177.1 | -165.1 | 0 | 0 | 0 | 0 | 109.2 | P493 G494 L539 V632 L633 | P493-V537 HydrophobicContact CB-CG2 4.15Å; G494-V537 WeakPolarHBondContact CA-O 3.47Å; V537-L539 HydrophobicContact CG1-CD2 3.72Å; V537-L539 HydrophobicContact CG1-CG 4.24Å; V537-V632 HydrophobicContact CG1-CG1 3.99Å; V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.31Å |
| 538 | V | 93.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.3 | 167.6 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | L531 W555 L557 L614 F631 L633 F635 | L531-V538 HydrophobicContact CD1-CG2 3.81Å; V538-W555 HydrophobicContact CG1-CB 4.43Å; V538-W555 HydrophobicContact CG1-CD2 3.67Å; V538-W555 HydrophobicContact CG1-CE3 4.21Å; V538-W555 HydrophobicContact CG1-CG 3.78Å; V538-W555 HydrophobicContact CG1-CZ2 4.36Å; V538-L557 HydrophobicContact CG2-CD2 3.92Å; V538-L614 HydrophobicContact CB-CD1 4.16Å; V538-L614 HydrophobicContact CG1-CD1 4.09Å; V538-L614 HydrophobicContact CG2-CD1 4Å; V538-F631 HydrophobicContact CG1-CE2 4.45Å; V538-L633 HydrophobicContact CB-CB 4.34Å; V538-L633 HydrophobicContact CB-CD1 4.42Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.26Å; V538-F635 HydrophobicContact CG2-CD1 4.24Å; V538-F635 HydrophobicContact CG2-CE1 4.37Å |
| 539 | L | 91.4 | Very high | 85.9 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 155.6 | -178.8 | -58.6 | 176.4 | 0 | 0 | 0 | 109.3 | Y495 A525 V537 W543 W555 F631 V632 | Y495-L539 HydrophobicContact CD1-CD1 4.47Å; Y495-L539 HydrophobicContact CD2-CD1 3.79Å; Y495-L539 HydrophobicContact CE1-CD1 4.13Å; Y495-L539 HydrophobicContact CE2-CD1 3.4Å; Y495-L539 VanDerWaalsContact CE2-CD1 3.4Å; Y495-L539 HydrophobicContact CG-CD1 4.3Å; A525-L539 HydrophobicContact CB-CB 3.89Å; A525-L539 HydrophobicContact CB-CD1 4.12Å; V537-L539 HydrophobicContact CG1-CD2 3.72Å; V537-L539 HydrophobicContact CG1-CG 4.24Å; L539-W543 HydrophobicContact CB-CB 4.08Å; L539-W543 HydrophobicContact CB-CG 4.31Å; L539-W543 HydrophobicContact CD2-CG 4.29Å; L539-W555 WeakPolarHBondContact O-CZ2 3.44Å; L539-F631 VanDerWaalsContact C-CE2 3.49Å; L539-F631 WeakPolarHBondContact CA-O 3.29Å; L539-V632 HydrophobicContact CD2-CB 4.35Å; L539-V632 HydrophobicContact CD2-CG1 4.04Å; L539-V632 HydrophobicContact CD2-CG2 3.93Å |
| 540 | S | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -65.6 | 154.5 | 164.2 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | A525 W543 G630 F631 | A525-S540 WeakPolarHBondContact CB-O 3.38Å; S540-W543 VanDerWaalsContact O-CB 3.23Å; S540-W543 WeakPolarHBondContact O-CB 3.45Å; S540-W543 PolarHBondContact O-N 2.72Å; S540-G630 VanDerWaalsContact OG-CA 3.22Å; S540-G630 WeakPolarHBondContact OG-CA 3.23Å; S540-F631 PolarHBondContact N-O 2.99Å; S540-F631 PolarHBondContact OG-N 3.41Å; S540-F631 VanDerWaalsContact OG-N 3.15Å | ||
| 541 | P | 88.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 145.2 | 172.8 | -25.1 | 34.4 | 0 | 0 | 0 | 111.6 | C527 W543 Y547 C553 F616 | C527-P541 HydrophobicContact CB-CB 4.46Å; C527-P541 HydrophobicContact CB-CG 4.1Å; P541-W543 PolarHBondContact O-N 3.14Å; P541-Y547 WeakPolarHBondContact O-CB 3.26Å; P541-C553 WeakPolarHBondContact CG-SG 3.3Å; P541-F616 HydrophobicContact CG-CD1 4.48Å |
| 542 | D | 80.8 | Confident | 85.3 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 0.6 | 176.6 | -44.9 | -53.2 | 0 | 0 | 0 | 115.8 | A525 Q545 S548 | A525-D542 PolarHBondContact O-N 3.15Å; D542-Q545 HydrophobicContact CB-CB 4.46Å; D542-Q545 WeakPolarHBondContact O-CA 3.32Å; D542-Q545 WeakPolarHBondContact O-CB 3.48Å; D542-Q545 WeakPolarHBondContact O-CG 3.41Å; D542-Q545 PolarHBondContact O-N 3.19Å; D542-S548 PolarHBondContact OD2-N 3.01Å |
| 543 | W | 83.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135.8 | 178.7 | 178.9 | -79.7 | 0 | 0 | 0 | 111.4 | Y495 A525 L539 S540 P541 I571 Q629 V632 | Y495-W543 VanDerWaalsContact CE1-O 3.32Å; Y495-W543 WeakPolarHBondContact CE1-O 3.49Å; A525-W543 HydrophobicContact CB-CB 4.12Å; L539-W543 HydrophobicContact CB-CB 4.08Å; L539-W543 HydrophobicContact CB-CG 4.31Å; L539-W543 HydrophobicContact CD2-CG 4.29Å; S540-W543 VanDerWaalsContact O-CB 3.23Å; S540-W543 WeakPolarHBondContact O-CB 3.45Å; S540-W543 PolarHBondContact O-N 2.72Å; P541-W543 PolarHBondContact O-N 3.14Å; W543-I571 HydrophobicContact CH2-CB 4.47Å; W543-I571 HydrophobicContact CH2-CD1 3.75Å; W543-I571 HydrophobicContact CH2-CG2 4.13Å; W543-I571 HydrophobicContact CZ2-CD1 4.07Å; W543-I571 HydrophobicContact CZ3-CG2 4.42Å; W543-Q629 VanDerWaalsContact CE3-O 3.25Å; W543-Q629 WeakPolarHBondContact CZ3-O 3.38Å; W543-V632 HydrophobicContact CD2-CG2 3.99Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CE3-CG2 4.21Å; W543-V632 HydrophobicContact CH2-CG2 3.6Å; W543-V632 HydrophobicContact CZ2-CG2 3.3Å; W543-V632 HydrophobicContact CZ3-CG2 4.02Å |
| 544 | P | 71.2 | Confident | 85.5 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.6 | 11.8 | 10 | 36 | -38.4 | 0 | 0 | 0 | 115.3 | H471 | H471-P544 VanDerWaalsContact NE2-CD 3.31Å; H471-P544 WeakPolarHBondContact NE2-CD 3.39Å |
| 545 | Q | 74.2 | Confident | 85.8 | Confident | 113 Ų | 113 | 39.3 Ų | 39.3 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -81 | 165.3 | 170.2 | -42.7 | -157.9 | 54.8 | 0 | 0 | 110.4 | D542 Y547 | D542-Q545 HydrophobicContact CB-CB 4.46Å; D542-Q545 WeakPolarHBondContact O-CA 3.32Å; D542-Q545 WeakPolarHBondContact O-CB 3.48Å; D542-Q545 WeakPolarHBondContact O-CG 3.41Å; D542-Q545 PolarHBondContact O-N 3.19Å; Q545-Y547 PolarHBondContact O-N 3.14Å |
| 546 | S | 72.6 | Confident | 85.8 | Confident | 72 Ų | 72 | 37.7 Ų | 37.7 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 123.2 | 176 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | G628 | S546-G628 WeakPolarHBondContact CB-O 3.38Š|
| 547 | Y | 81.3 | Confident | 86 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -49.2 | 142.7 | 172.7 | 56.6 | -87.3 | 0 | 0 | 0 | 112.8 | P541 Q545 V574 R575 D578 F616 A618 | P541-Y547 WeakPolarHBondContact O-CB 3.26Å; Q545-Y547 PolarHBondContact O-N 3.14Å; Y547-V574 HydrophobicContact CE1-CG1 4.49Å; Y547-V574 VanDerWaalsContact OH-CG1 3.29Å; Y547-V574 WeakPolarHBondContact OH-CG1 3.46Å; Y547-R575 WeakPolarHBondContact OH-CG 3.27Å; Y547-R575 PolarHBondContact OH-N 2.74Å; Y547-R575 VanDerWaalsContact OH-N 3.13Å; Y547-D578 VanDerWaalsContact CE2-OD2 3.23Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.39Å; Y547-D578 VanDerWaalsContact CZ-OD2 3.29Å; Y547-D578 PolarHBondContact OH-OD2 3.43Å; Y547-F616 HydrophobicContact CD1-CZ 4.47Å; Y547-F616 AromaticContact CD2-CE1 3.83Å; Y547-F616 HydrophobicContact CD2-CE1 3.83Å; Y547-F616 AromaticContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CE1-CZ 4.36Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CG-CE1 4.06Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.93Å; Y547-A618 HydrophobicContact CD2-CB 4.29Å; Y547-A618 HydrophobicContact CE2-CB 4.11Å |
| 548 | S | 77.4 | Confident | 86 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 151.9 | 174.7 | -66 | 0 | 0 | 0 | 0 | 112.9 | D542 Q551 | D542-S548 PolarHBondContact OD2-N 3.01Å; S548-Q551 WeakPolarHBondContact O-CG 3.3Å |
| 549 | P | 77.4 | Confident | 86 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 31% | 0.312 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 152 | 171.8 | 31.3 | -34.5 | 0 | 0 | 0 | 111.6 | G621 | P549-G621 WeakPolarHBondContact CB-O 3.49Å; P549-G621 WeakPolarHBondContact CG-O 3.47Å |
| 550 | G | 82 | Confident | 85.9 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 10.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A618 P619 | G550-A618 CarbonylContact C-O 3.57Å; G550-A618 WeakPolarHBondContact CA-O 3.41Å; G550-A618 PolarHBondContact N-O 2.9Å; G550-P619 PolarHBondContact N-O 3.43Å |
| 551 | Q | 85.8 | Confident | 85.6 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | trans | -75.7 | 137.9 | 178.9 | -65.1 | -75.5 | 17.1 | 0 | 0 | 112.2 | S548 F616 Q617 A618 | S548-Q551 WeakPolarHBondContact O-CG 3.3Å; Q551-F616 HydrophobicContact CB-CE1 4.47Å; Q551-Q617 WeakPolarHBondContact O-CA 3.48Å; Q551-A618 HydrophobicContact CB-CB 4.45Å; Q551-A618 PolarHBondContact N-O 2.98Å; Q551-A618 PolarHBondContact O-N 3.29Å | ||
| 552 | D | 90.8 | Very high | 85 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 95 | 166.1 | -171.2 | 8.7 | 0 | 0 | 0 | 108.7 | Q615 F616 Q617 | D552-Q615 PolarHBondContact OD1-NE2 3Å; D552-Q615 PolarHBondContact OD2-NE2 2.84Å; D552-F616 CarbonylContact C-O 3.54Å; D552-F616 WeakPolarHBondContact CA-O 3.48Å; D552-Q617 HydrophobicContact CB-CG 4.46Å; D552-Q617 VanDerWaalsContact OD1-CG 3.24Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.46Å |
| 553 | C | 92.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.3 | -169.9 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | C527 P541 W555 Q615 F616 | C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.05Å; C527-C553 WeakPolarHBondContact CB-SG 3.27Å; C527-C553 WeakPolarHBondContact SG-CA 3.5Å; C527-C553 WeakPolarHBondContact SG-CB 3.48Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.92Å; P541-C553 WeakPolarHBondContact CG-SG 3.3Å; C553-W555 HydrophobicContact CB-CE3 4.35Å; C553-W555 HydrophobicContact CB-CH2 3.35Å; C553-W555 HydrophobicContact CB-CZ2 3.91Å; C553-W555 HydrophobicContact CB-CZ3 3.6Å; C553-Q615 CarbonylContact O-C 3.57Å; C553-Q615 VanDerWaalsContact O-CA 3.32Å; C553-Q615 WeakPolarHBondContact O-CA 3.42Å; C553-F616 HydrophobicContact CB-CB 4.47Å; C553-F616 PolarHBondContact N-O 2.98Å; C553-F616 PolarHBondContact O-N 3.34Å |
| 554 | V | 94.6 | Very high | 85.4 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.8 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | G528 G529 T613 L614 Q615 | G528-V554 CarbonylContact C-O 3.55Å; G528-V554 WeakPolarHBondContact CA-O 3.34Å; G529-V554 PolarHBondContact N-O 2.84Å; V554-T613 HydrophobicContact CG1-CG2 3.75Å; V554-L614 CarbonylContact C-O 3.47Å; V554-L614 WeakPolarHBondContact CA-O 3.42Å; V554-Q615 HydrophobicContact CG2-CB 4.31Å; V554-Q615 HydrophobicContact CG2-CG 3.92Å |
| 555 | W | 94.9 | Very high | 86.5 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.8 | 172 | -57.7 | -96.9 | 0 | 0 | 0 | 110.4 | M526 G528 G529 V538 L539 C553 T613 L614 F616 F631 | M526-W555 WeakPolarHBondContact O-CZ2 3.45Å; M526-W555 PolarHBondContact O-NE1 3.4Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.3Å; G529-W555 CarbonylContact O-C 3.49Å; G529-W555 VanDerWaalsContact O-CA 3.23Å; G529-W555 WeakPolarHBondContact O-CA 3.29Å; V538-W555 HydrophobicContact CG1-CB 4.43Å; V538-W555 HydrophobicContact CG1-CD2 3.67Å; V538-W555 HydrophobicContact CG1-CE3 4.21Å; V538-W555 HydrophobicContact CG1-CG 3.78Å; V538-W555 HydrophobicContact CG1-CZ2 4.36Å; L539-W555 WeakPolarHBondContact O-CZ2 3.44Å; C553-W555 HydrophobicContact CB-CE3 4.35Å; C553-W555 HydrophobicContact CB-CH2 3.35Å; C553-W555 HydrophobicContact CB-CZ2 3.91Å; C553-W555 HydrophobicContact CB-CZ3 3.6Å; W555-T613 WeakPolarHBondContact O-CA 3.24Å; W555-L614 HydrophobicContact CB-CB 4.41Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 3.44Å; W555-L614 PolarHBondContact O-N 2.83Å; W555-F616 HydrophobicContact CH2-CB 4.05Å; W555-F616 HydrophobicContact CZ3-CB 3.67Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CZ3-CZ 4.01Å |
| 556 | G | 94.5 | Very high | 87.3 | Confident | 24 Ų | 24 | 48 Ų | 48 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G529 E530 L531 | G529-G556 PolarHBondContact O-N 2.83Å; E530-G556 WeakPolarHBondContact CA-O 3.44Å; L531-G556 PolarHBondContact N-O 2.85Å |
| 557 | L | 94.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.7 | 172.4 | -57.7 | 159.4 | 0 | 0 | 0 | 108.9 | L531 V538 I565 D611 L612 L614 F635 | L531-L557 HydrophobicContact CB-CD2 3.91Å; L531-L557 HydrophobicContact CD1-CD2 3.83Å; L531-L557 WeakPolarHBondContact O-CA 3.23Å; V538-L557 HydrophobicContact CG2-CD2 3.92Å; L557-I565 HydrophobicContact CB-CD1 3.64Å; L557-D611 CarbonylContact O-C 3.57Å; L557-D611 WeakPolarHBondContact O-CA 3.44Å; L557-L612 HydrophobicContact CB-CB 4.28Å; L557-L612 VanDerWaalsContact CB-O 3.24Å; L557-L612 WeakPolarHBondContact CB-O 3.37Å; L557-L612 HydrophobicContact CD1-CB 4.26Å; L557-L612 HydrophobicContact CD1-CD2 3.88Å; L557-L612 HydrophobicContact CD1-CG 4.19Å; L557-L612 PolarHBondContact N-O 3.24Å; L557-L612 PolarHBondContact O-N 2.81Å; L557-L614 HydrophobicContact CD1-CD1 3.82Å; L557-L614 HydrophobicContact CD1-CD2 4.46Å; L557-L614 HydrophobicContact CD1-CG 3.96Å; L557-F635 HydrophobicContact CD1-CG 4.48Å; L557-F635 HydrophobicContact CD2-CD1 3.57Å; L557-F635 HydrophobicContact CD2-CD2 3.96Å; L557-F635 HydrophobicContact CD2-CE1 3.44Å; L557-F635 VanDerWaalsContact CD2-CE1 3.44Å; L557-F635 HydrophobicContact CD2-CE2 3.84Å; L557-F635 HydrophobicContact CD2-CG 3.83Å; L557-F635 HydrophobicContact CD2-CZ 3.59Å |
| 558 | H | 94.5 | Very high | 88.8 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.8 | 177.5 | 177.5 | 78.6 | 0 | 0 | 0 | 109.6 | L531 S532 D611 | L531-H558 PolarHBondContact O-N 3.34Å; S532-H558 CarbonylContact C-O 3.57Å; S532-H558 WeakPolarHBondContact CA-O 3.32Å; H558-D611 IonicContact CE1-OD1 3.47Å; H558-D611 IonicContact CG-OD1 3.19Å; H558-D611 IonicContact ND1-OD1 2.77Å; H558-D611 PolarHBondContact ND1-OD1 3.01Å |
| 559 | V | 93.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | trans | -126.2 | 179.7 | 170.8 | -61 | 0 | 0 | 0 | 0 | 110.2 | E561 K563 I565 P610 E637 | V559-E561 PolarHBondContact O-N 3.06Å; V559-K563 HydrophobicContact CG2-CB 3.92Å; V559-I565 HydrophobicContact CB-CG1 4.4Å; V559-I565 HydrophobicContact CG1-CD1 4.21Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.35Å; V559-I565 HydrophobicContact CG2-CG1 3.67Å; V559-P610 HydrophobicContact CG2-CB 4.28Å; V559-P610 WeakPolarHBondContact CG2-O 3.44Å; V559-P610 PolarHBondContact N-O 3.48Å; V559-P610 VanDerWaalsContact N-O 3.08Å; V559-P610 WeakPolarHBondContact O-CB 3.48Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.34Å | ||
| 560 | Q | 89.1 | Confident | 89.7 | Confident | 104 Ų | 104 | 45.7 Ų | 45.7 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | trans | -52.9 | 136.6 | 178.1 | -62.5 | 166.8 | 28.3 | 0 | 0 | 111.9 | E562 K563 E637 | Q560-E562 PolarHBondContact O-N 3.1Å; Q560-K563 HydrophobicContact CB-CG 3.79Å; Q560-K563 VanDerWaalsContact O-CB 3.31Å; Q560-K563 WeakPolarHBondContact O-CB 3.1Å; Q560-K563 PolarHBondContact O-N 2.99Å; Q560-E637 PolarHBondContact NE2-OE2 2.97Å | ||
| 561 | E | 84.1 | Confident | 89.7 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -41.7 | -174 | -68.3 | -76.3 | -179.5 | 0 | 0 | 114.4 | V559 K563 R640 | V559-E561 PolarHBondContact O-N 3.06Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.32Å; E561-R640 PolarHBondContact O-NH2 2.98Å |
| 562 | E | 77.1 | Confident | 89.6 | Confident | 125 Ų | 125 | 44.5 Ų | 44.5 | 58% | 0.584 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -6.1 | -177.6 | -61 | 75.3 | -163 | 0 | 0 | 113.9 | Q560 R640 | Q560-E562 PolarHBondContact O-N 3.1Å; E562-R640 WeakPolarHBondContact O-CD 3.16Å; E562-R640 WeakPolarHBondContact O-CG 3.24Å; E562-R640 PolarHBondContact O-NE 3.26Å |
| 563 | K | 84 | Confident | 89.1 | Confident | 57 Ų | 57 | 41 Ų | 41 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -175.9 | -175.9 | -50.4 | -61.4 | -175.2 | -163.7 | 0 | 112.4 | V559 Q560 E561 E637 V638 R640 | V559-K563 HydrophobicContact CG2-CB 3.92Å; Q560-K563 HydrophobicContact CB-CG 3.79Å; Q560-K563 VanDerWaalsContact O-CB 3.31Å; Q560-K563 WeakPolarHBondContact O-CB 3.1Å; Q560-K563 PolarHBondContact O-N 2.99Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.32Å; K563-E637 HydrophobicContact CB-CB 4.2Å; K563-E637 HydrophobicContact CG-CB 4.26Å; K563-V638 WeakPolarHBondContact CA-O 3.38Å; K563-V638 WeakPolarHBondContact CB-O 3.33Å; K563-R640 PolarHBondContact O-NE 3.06Å |
| 564 | R | 88.4 | Confident | 88.4 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159 | 165.3 | -82.7 | 170.3 | -179.4 | 162.9 | 4.8 | 109.5 | L606 S607 S608 E637 V638 R640 D642 | R564-L606 HydrophobicContact CB-CD1 4.03Å; R564-S607 WeakPolarHBondContact CD-O 3.49Å; R564-S607 WeakPolarHBondContact CG-O 3.38Å; R564-S608 VanDerWaalsContact NE-C 3.34Å; R564-S608 PolarHBondContact NE-O 2.83Å; R564-S608 PolarHBondContact NH2-O 3.4Å; R564-E637 CarbonylContact O-C 3.59Å; R564-E637 WeakPolarHBondContact O-CA 3.05Å; R564-V638 HydrophobicContact CB-CG2 4.06Å; R564-V638 PolarHBondContact N-O 3.41Å; R564-V638 WeakPolarHBondContact O-CG2 3.37Å; R564-V638 PolarHBondContact O-N 2.96Å; R564-R640 HydrophobicContact CG-CG 3.94Å; R564-D642 IonicContact CZ-OD1 3.7Å; R564-D642 IonicContact CZ-OD2 2.6Å; R564-D642 IonicContact NH1-OD1 3.51Å; R564-D642 PolarHBondContact NH1-OD1 3Å; R564-D642 IonicContact NH1-OD2 3.9Å; R564-D642 PolarHBondContact NH1-OD2 3.03Å; R564-D642 IonicContact NH2-OD1 3.23Å; R564-D642 PolarHBondContact NH2-OD1 3.48Å; R564-D642 IonicContact NH2-OD2 2.76Å; R564-D642 PolarHBondContact NH2-OD2 2.9Å |
| 565 | I | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.1 | 173.6 | -61.7 | 174.6 | 0 | 0 | 0 | 108.9 | L557 V559 L606 S607 P610 L612 F635 | L557-I565 HydrophobicContact CB-CD1 3.64Å; V559-I565 HydrophobicContact CB-CG1 4.4Å; V559-I565 HydrophobicContact CG1-CD1 4.21Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.35Å; V559-I565 HydrophobicContact CG2-CG1 3.67Å; I565-L606 WeakPolarHBondContact O-CA 3.22Å; I565-S607 PolarHBondContact N-OG 3.46Å; I565-S607 PolarHBondContact O-N 3.32Å; I565-P610 WeakPolarHBondContact CD1-O 3.38Å; I565-L612 HydrophobicContact CB-CB 4.33Å; I565-L612 HydrophobicContact CB-CD2 4.27Å; I565-L612 HydrophobicContact CD1-CB 3.65Å; I565-L612 HydrophobicContact CG2-CB 4.49Å; I565-L612 HydrophobicContact CG2-CD2 3.76Å; I565-F635 HydrophobicContact CG2-CB 3.95Å; I565-F635 HydrophobicContact CG2-CD2 4.48Å |
| 566 | L | 92.2 | Very high | 86.2 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.199 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.9 | 163.4 | -177.6 | 76.4 | 0 | 0 | 0 | 108.5 | R604 L606 F635 K636 V638 | L566-R604 HydrophobicContact CD1-CB 4.32Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.2Å; L566-F635 WeakPolarHBondContact O-CA 3.02Å; L566-K636 HydrophobicContact CB-CG 4.39Å; L566-K636 PolarHBondContact N-O 2.99Å; L566-K636 PolarHBondContact O-N 2.93Å; L566-V638 HydrophobicContact CB-CG1 3.73Å; L566-V638 HydrophobicContact CB-CG2 3.92Å; L566-V638 HydrophobicContact CD2-CG1 4.2Å |
| 567 | L | 93.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134 | 172.7 | -167.4 | 75.7 | 0 | 0 | 0 | 110.2 | L582 R604 L605 L612 L614 L633 H634 F635 | L567-L582 HydrophobicContact CD2-CD2 3.25Å; L567-R604 CarbonylContact O-C 3.57Å; L567-R604 WeakPolarHBondContact O-CA 3.45Å; L567-L605 PolarHBondContact N-O 2.9Å; L567-L605 PolarHBondContact O-N 2.67Å; L567-L612 HydrophobicContact CB-CD2 4.12Å; L567-L612 HydrophobicContact CD2-CD2 4.31Å; L567-L614 HydrophobicContact CD2-CD2 4.04Å; L567-L633 HydrophobicContact CD1-CB 4.03Å; L567-H634 CarbonylContact C-O 3.58Å; L567-F635 HydrophobicContact CD1-CB 3.67Å |
| 568 | Q | 91.3 | Very high | 84.8 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116 | 175.2 | -178.4 | 170.1 | -67.8 | 0 | 0 | 109.9 | E570 R604 H634 | Q568-E570 PolarHBondContact O-N 3.04Å; Q568-R604 HydrophobicContact CB-CG 4.2Å; Q568-R604 HydrophobicContact CG-CG 4.06Å; Q568-H634 PolarHBondContact N-O 3.24Å; Q568-H634 PolarHBondContact O-N 3.04Å |
| 569 | V | 89.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.4 | 170.1 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | L572 L596 R602 R603 L633 | V569-L572 HydrophobicContact CG1-CB 3.73Å; V569-L596 HydrophobicContact CG2-CD1 3.92Å; V569-R602 WeakPolarHBondContact O-CA 3.35Å; V569-R603 PolarHBondContact N-O 3.05Å; V569-R603 PolarHBondContact O-N 2.96Å; V569-L633 HydrophobicContact CB-CD2 4.27Å; V569-L633 HydrophobicContact CG1-CD2 4.1Å; V569-L633 HydrophobicContact CG2-CD2 3.97Å |
| 570 | E | 85.3 | Confident | 84.5 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -46.9 | 175.4 | 171.3 | 127.6 | -156.2 | 0 | 0 | 110.9 | Q568 R602 V632 H634 | Q568-E570 PolarHBondContact O-N 3.04Å; E570-R602 WeakPolarHBondContact O-CG 3.37Å; E570-R602 PolarHBondContact O-NE 3.37Å; E570-R602 IonicContact OE1-CZ 3.45Å; E570-R602 IonicContact OE1-NH1 3.95Å; E570-R602 PolarHBondContact OE1-NH1 3.46Å; E570-R602 IonicContact OE1-NH2 3.56Å; E570-R602 PolarHBondContact OE1-NH2 2.82Å; E570-R602 IonicContact OE2-NH1 2.73Å; E570-V632 PolarHBondContact N-O 2.8Å; E570-H634 IonicContact OE2-CD2 3.85Å; E570-H634 IonicContact OE2-NE2 2.74Å |
| 571 | I | 82.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 30% | 0.303 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.1 | 173.6 | -56.2 | 177.8 | 0 | 0 | 0 | 108.1 | W543 N573 F631 V632 | W543-I571 HydrophobicContact CH2-CB 4.47Å; W543-I571 HydrophobicContact CH2-CD1 3.75Å; W543-I571 HydrophobicContact CH2-CG2 4.13Å; W543-I571 HydrophobicContact CZ2-CD1 4.07Å; W543-I571 HydrophobicContact CZ3-CG2 4.42Å; I571-N573 HydrophobicContact CG2-CB 4.49Å; I571-F631 CarbonylContact O-C 3.56Å; I571-F631 VanDerWaalsContact O-CA 3.28Å; I571-F631 WeakPolarHBondContact O-CA 3.39Å; I571-F631 WeakPolarHBondContact O-CB 3.34Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.18Å; I571-V632 HydrophobicContact CD1-CG2 4.15Å; I571-V632 HydrophobicContact CG1-CB 4.41Å; I571-V632 HydrophobicContact CG1-CG2 4.42Å; I571-V632 PolarHBondContact N-O 2.87Å; I571-V632 PolarHBondContact O-N 2.82Å |
| 572 | L | 83.9 | Confident | 85.1 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 106.4 | 165.4 | -176 | 91.6 | 0 | 0 | 0 | 106.4 | V569 V574 L580 L596 G598 P599 Q600 F631 | V569-L572 HydrophobicContact CG1-CB 3.73Å; L572-V574 HydrophobicContact CD1-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 3.94Å; L572-L580 HydrophobicContact CD1-CD2 3.82Å; L572-L596 HydrophobicContact CD1-CB 4.2Å; L572-L596 HydrophobicContact CD1-CD1 4.4Å; L572-L596 HydrophobicContact CD2-CB 3.78Å; L572-L596 HydrophobicContact CD2-CD1 4.5Å; L572-G598 VanDerWaalsContact CD2-O 3.3Å; L572-G598 WeakPolarHBondContact CD2-O 3.33Å; L572-P599 WeakPolarHBondContact O-CA 3.42Å; L572-Q600 HydrophobicContact CD2-CB 3.64Å; L572-Q600 HydrophobicContact CD2-CG 3.45Å; L572-Q600 VanDerWaalsContact CD2-CG 3.45Å; L572-Q600 PolarHBondContact O-N 3.11Å; L572-F631 HydrophobicContact CD1-CB 4.02Å |
| 573 | N | 78.8 | Confident | 85.9 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 79.3 | 178.8 | -173.7 | 8.8 | 0 | 0 | 0 | 108.5 | I571 G628 Q629 G630 | I571-N573 HydrophobicContact CG2-CB 4.49Å; N573-G628 CarbonylContact O-C 3.57Å; N573-G628 WeakPolarHBondContact O-CA 3.34Å; N573-Q629 HydrophobicContact CB-CB 4.15Å; N573-Q629 PolarHBondContact ND2-OE1 2.8Å; N573-Q629 PolarHBondContact O-N 2.89Å; N573-G630 CarbonylContact C-O 3.42Å; N573-G630 PolarHBondContact N-O 2.79Å; N573-G630 PolarHBondContact O-N 2.85Å |
| 574 | V | 79.1 | Confident | 86.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | trans | -121.4 | 142.9 | -167.9 | -164.2 | 0 | 0 | 0 | 0 | 108.4 | Y547 L572 D578 G598 F616 F631 | Y547-V574 HydrophobicContact CE1-CG1 4.49Å; Y547-V574 VanDerWaalsContact OH-CG1 3.29Å; Y547-V574 WeakPolarHBondContact OH-CG1 3.46Å; L572-V574 HydrophobicContact CD1-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 3.94Å; V574-D578 HydrophobicContact CG1-CB 3.48Å; V574-D578 VanDerWaalsContact CG1-CB 3.48Å; V574-G598 VanDerWaalsContact O-CA 3.31Å; V574-G598 WeakPolarHBondContact O-CA 3.24Å; V574-F616 HydrophobicContact CG1-CE2 3.55Å; V574-F616 HydrophobicContact CG1-CZ 4.04Å; V574-F631 HydrophobicContact CG2-CB 4.46Å; V574-F631 HydrophobicContact CG2-CD1 4.09Å | ||
| 575 | R | 74.6 | Confident | 86.4 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 18% | 0.181 | 17% | 0.165 | C | C | . | . | trans | -63.1 | 158 | -167.9 | -57.5 | 163.2 | -173.3 | -166.8 | 3.4 | 113 | Y547 G577 D578 | Y547-R575 WeakPolarHBondContact OH-CG 3.27Å; Y547-R575 PolarHBondContact OH-N 2.74Å; Y547-R575 VanDerWaalsContact OH-N 3.13Å; R575-G577 VanDerWaalsContact C-N 3.33Å; R575-G577 PolarHBondContact O-N 2.94Å; R575-D578 WeakPolarHBondContact CB-OD2 3.47Å; R575-D578 PolarHBondContact N-OD2 2.88Å; R575-D578 PolarHBondContact O-N 2.99Å | ||
| 576 | E | 69.2 | Low | 86.1 | Confident | 193 Ų | 193 | 37.7 Ų | 37.7 | 90% | 0.902 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 83.2 | 174.9 | -64.4 | -166.9 | 153.7 | 0 | 0 | 111.9 | ||
| 577 | G | 73.6 | Confident | 86 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 55% | 0.546 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 154.9 | -29.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R575 | R575-G577 VanDerWaalsContact C-N 3.33Å; R575-G577 PolarHBondContact O-N 2.94Å |
| 578 | D | 85.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | trans | -74.8 | 160.5 | 175.4 | -55 | -13.9 | 0 | 0 | 0 | 111.2 | Y547 V574 R575 F616 Q617 P619 | Y547-D578 VanDerWaalsContact CE2-OD2 3.23Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.39Å; Y547-D578 VanDerWaalsContact CZ-OD2 3.29Å; Y547-D578 PolarHBondContact OH-OD2 3.43Å; V574-D578 HydrophobicContact CG1-CB 3.48Å; V574-D578 VanDerWaalsContact CG1-CB 3.48Å; R575-D578 WeakPolarHBondContact CB-OD2 3.47Å; R575-D578 PolarHBondContact N-OD2 2.88Å; R575-D578 PolarHBondContact O-N 2.99Å; D578-F616 HydrophobicContact CB-CE2 4.09Å; D578-Q617 CarbonylContact C-O 3.59Å; D578-Q617 WeakPolarHBondContact CA-O 3.42Å; D578-P619 WeakPolarHBondContact OD1-CD 3.31Å | ||
| 579 | M | 88.5 | Confident | 85.2 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 16% | 0.163 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 126.5 | -177 | -178.1 | 175.7 | 62.5 | 0 | 0 | 112.5 | Q595 R597 Q617 | M579-Q595 HydrophobicContact SD-CG 4.12Å; M579-R597 HydrophobicContact CB-CG 4.45Å; M579-R597 HydrophobicContact CG-CG 4.41Å; M579-R597 PolarHBondContact SD-NH2 2.82Å; M579-Q617 VanDerWaalsContact CE-OE1 3.29Å; M579-Q617 PolarHBondContact N-O 2.96Å; M579-Q617 PolarHBondContact O-N 3.28Å |
| 580 | L | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.3 | 165.1 | 174.2 | 66.9 | 0 | 0 | 0 | 108.7 | L572 L582 L596 Q615 F616 F631 L633 | L572-L580 HydrophobicContact CD1-CD2 3.82Å; L580-L582 HydrophobicContact CG-CD1 4.18Å; L580-L596 HydrophobicContact CB-CB 4.32Å; L580-L596 HydrophobicContact CD2-CD1 4.14Å; L580-L596 PolarHBondContact N-O 2.79Å; L580-L596 PolarHBondContact O-N 2.93Å; L580-Q615 CarbonylContact C-O 3.52Å; L580-Q615 WeakPolarHBondContact CA-O 3.37Å; L580-F616 HydrophobicContact CB-CD2 4.45Å; L580-F616 HydrophobicContact CD1-CB 4.2Å; L580-F631 HydrophobicContact CD1-CE1 4.45Å; L580-F631 HydrophobicContact CD1-CZ 4.24Å; L580-F631 HydrophobicContact CD2-CD1 4.46Å; L580-F631 HydrophobicContact CD2-CG 4.45Å; L580-L633 HydrophobicContact CD2-CD1 3.79Å; L580-L633 HydrophobicContact CD2-CD2 4.17Å |
| 581 | T | 92.3 | Very high | 85.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | F583 V592 Q595 Q615 | T581-F583 HydrophobicContact CG2-CD1 4.31Å; T581-F583 HydrophobicContact CG2-CD2 4.16Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.62Å; T581-F583 HydrophobicContact CG2-CG 4.49Å; T581-F583 HydrophobicContact CG2-CZ 3.41Å; T581-F583 VanDerWaalsContact CG2-CZ 3.41Å; T581-V592 HydrophobicContact CG2-CG1 4.08Å; T581-V592 HydrophobicContact CG2-CG2 4.05Å; T581-Q595 HydrophobicContact CG2-CG 3.96Å; T581-Q615 PolarHBondContact N-O 3.48Å; T581-Q615 PolarHBondContact O-N 3.41Å |
| 582 | L | 94.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.2 | -178.8 | -61.2 | 91.4 | 0 | 0 | 0 | 109.4 | L567 L580 V592 L593 A594 L596 L605 L614 | L567-L582 HydrophobicContact CD2-CD2 3.25Å; L580-L582 HydrophobicContact CG-CD1 4.18Å; L582-V592 CarbonylContact O-C 3.46Å; L582-V592 WeakPolarHBondContact O-CA 3.49Å; L582-L593 HydrophobicContact CB-CB 4.45Å; L582-L593 PolarHBondContact O-N 2.74Å; L582-A594 HydrophobicContact CD1-CB 4.12Å; L582-A594 PolarHBondContact N-O 3.46Å; L582-L596 HydrophobicContact CD1-CD1 3.77Å; L582-L596 HydrophobicContact CD1-CG 3.83Å; L582-L605 HydrophobicContact CD2-CD1 3.82Å; L582-L614 HydrophobicContact CB-CD2 4.2Å; L582-L614 HydrophobicContact CD2-CD2 3.56Å; L582-L614 HydrophobicContact CG-CD2 3.64Å |
| 583 | F | 94.4 | Very high | 86 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.5 | -174.4 | -54.1 | -92.1 | 0 | 0 | 0 | 111.4 | T581 G585 P588 A590 R591 V592 L612 T613 Q615 | T581-F583 HydrophobicContact CG2-CD1 4.31Å; T581-F583 HydrophobicContact CG2-CD2 4.16Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.62Å; T581-F583 HydrophobicContact CG2-CG 4.49Å; T581-F583 HydrophobicContact CG2-CZ 3.41Å; T581-F583 VanDerWaalsContact CG2-CZ 3.41Å; F583-G585 VanDerWaalsContact C-N 3.31Å; F583-G585 PolarHBondContact O-N 2.76Å; F583-P588 HydrophobicContact CD2-CB 4.18Å; F583-P588 HydrophobicContact CE1-CB 4.42Å; F583-P588 WeakPolarHBondContact CE1-O 3.38Å; F583-P588 HydrophobicContact CE2-CB 3.73Å; F583-P588 HydrophobicContact CZ-CB 3.86Å; F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.06Å; F583-R591 CarbonylContact C-O 3.51Å; F583-R591 WeakPolarHBondContact CA-O 3.5Å; F583-V592 HydrophobicContact CD1-CG2 3.74Å; F583-V592 HydrophobicContact CE1-CG2 3.66Å; F583-L612 WeakPolarHBondContact O-CD1 3.04Å; F583-T613 HydrophobicContact CD2-CG2 4.35Å; F583-T613 PolarHBondContact N-O 2.96Å; F583-T613 PolarHBondContact O-N 3.15Å; F583-Q615 HydrophobicContact CE2-CB 3.82Å |
| 584 | D | 91.9 | Very high | 86.4 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 70.7 | -177.2 | -156.4 | 24.3 | 0 | 0 | 0 | 111.3 | R591 L593 S607 S608 | D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.31Å; D584-R591 WeakPolarHBondContact CB-O 3.45Å; D584-R591 PolarHBondContact N-O 3.47Å; D584-L593 HydrophobicContact CB-CD1 4.23Å; D584-L593 HydrophobicContact CB-CD2 3.67Å; D584-L593 HydrophobicContact CB-CG 3.73Å; D584-S607 VanDerWaalsContact OD1-CA 3.22Å; D584-S607 WeakPolarHBondContact OD1-CA 3.23Å; D584-S607 WeakPolarHBondContact OD1-CB 3.4Å; D584-S608 VanDerWaalsContact CG-OG 3.26Å; D584-S608 PolarHBondContact OD1-N 2.04Å; D584-S608 PolarHBondContact OD1-OG 3.17Å; D584-S608 WeakPolarHBondContact OD2-CB 3.44Å; D584-S608 PolarHBondContact OD2-OG 2.97Å |
| 585 | G | 90.2 | Very high | 87 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 159.3 | -170.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F583 G587 D611 T613 | F583-G585 VanDerWaalsContact C-N 3.31Å; F583-G585 PolarHBondContact O-N 2.76Å; G585-G587 VanDerWaalsContact C-N 3.26Å; G585-G587 PolarHBondContact O-N 3.3Å; G585-D611 PolarHBondContact N-O 2.76Å; G585-T613 PolarHBondContact O-N 3.5Å; G585-T613 VanDerWaalsContact O-N 3.11Å; G585-T613 PolarHBondContact O-OG1 2.88Å |
| 586 | D | 87.4 | Confident | 87.6 | Confident | 138 Ų | 138 | 53.9 Ų | 53.9 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.8 | 0.8 | -174 | 65.2 | -37.4 | 0 | 0 | 0 | 115.4 | D611 | D586-D611 HydrophobicContact CB-CB 4.47Š|
| 587 | G | 88.6 | Confident | 88.3 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -170.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G585 S589 A590 T613 | G585-G587 VanDerWaalsContact C-N 3.26Å; G585-G587 PolarHBondContact O-N 3.3Å; G587-S589 PolarHBondContact O-N 2.93Å; G587-A590 VanDerWaalsContact O-CB 3.27Å; G587-A590 WeakPolarHBondContact O-CB 3.11Å; G587-A590 PolarHBondContact O-N 2.86Å; G587-T613 VanDerWaalsContact CA-OG1 3.3Å; G587-T613 WeakPolarHBondContact CA-OG1 3.4Å; G587-T613 PolarHBondContact N-OG1 2.82Å; G587-T613 VanDerWaalsContact N-OG1 3.1Å |
| 588 | P | 84.5 | Confident | 88.3 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -0.1 | 179.2 | 30.9 | -36.1 | 0 | 0 | 0 | 114 | F583 | F583-P588 HydrophobicContact CD2-CB 4.18Å; F583-P588 HydrophobicContact CE1-CB 4.42Å; F583-P588 WeakPolarHBondContact CE1-O 3.38Å; F583-P588 HydrophobicContact CE2-CB 3.73Å; F583-P588 HydrophobicContact CZ-CB 3.86Å |
| 589 | S | 84.9 | Confident | 87.6 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 80% | 0.797 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.9 | 167.5 | 46 | 0 | 0 | 0 | 0 | 113.9 | G587 | G587-S589 PolarHBondContact O-N 2.93Š|
| 590 | A | 88.1 | Confident | 86.6 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -77.5 | -179.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F583 G587 V592 | F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.06Å; G587-A590 VanDerWaalsContact O-CB 3.27Å; G587-A590 WeakPolarHBondContact O-CB 3.11Å; G587-A590 PolarHBondContact O-N 2.86Å; A590-V592 PolarHBondContact O-N 2.75Å |
| 591 | R | 89.6 | Confident | 85.4 | Confident | 189 Ų | 189 | 60.2 Ų | 60.2 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.4 | -175.6 | 176.1 | -172.5 | 174.5 | -173.2 | -0.2 | 111.1 | F583 D584 L593 | F583-R591 CarbonylContact C-O 3.51Å; F583-R591 WeakPolarHBondContact CA-O 3.5Å; D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.31Å; D584-R591 WeakPolarHBondContact CB-O 3.45Å; D584-R591 PolarHBondContact N-O 3.47Å; R591-L593 PolarHBondContact O-N 3.46Å |
| 592 | V | 91.1 | Very high | 84.8 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 120.4 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | T581 L582 F583 A590 Q595 | T581-V592 HydrophobicContact CG2-CG1 4.08Å; T581-V592 HydrophobicContact CG2-CG2 4.05Å; L582-V592 CarbonylContact O-C 3.46Å; L582-V592 WeakPolarHBondContact O-CA 3.49Å; F583-V592 HydrophobicContact CD1-CG2 3.74Å; F583-V592 HydrophobicContact CE1-CG2 3.66Å; A590-V592 PolarHBondContact O-N 2.75Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å |
| 593 | L | 89.1 | Confident | 84.3 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -43.4 | 168.7 | -68 | -178.5 | 0 | 0 | 0 | 111.5 | L582 D584 R591 L612 | L582-L593 HydrophobicContact CB-CB 4.45Å; L582-L593 PolarHBondContact O-N 2.74Å; D584-L593 HydrophobicContact CB-CD1 4.23Å; D584-L593 HydrophobicContact CB-CD2 3.67Å; D584-L593 HydrophobicContact CB-CG 3.73Å; R591-L593 PolarHBondContact O-N 3.46Å; L593-L612 HydrophobicContact CD1-CD1 3.53Å |
| 594 | A | 86.9 | Confident | 83.9 | Confident | 13 Ų | 13 | 82.2 Ų | 82.2 | 11% | 0.107 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 151.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L582 L596 L605 | L582-A594 HydrophobicContact CD1-CB 4.12Å; L582-A594 PolarHBondContact N-O 3.46Å; A594-L596 HydrophobicContact CB-CD2 4.38Å; A594-L605 HydrophobicContact CB-CD1 4.02Å |
| 595 | Q | 90.6 | Very high | 83.7 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126 | 160.2 | -73.6 | 177.2 | -5.5 | 0 | 0 | 107.3 | M579 T581 V592 | M579-Q595 HydrophobicContact SD-CG 4.12Å; T581-Q595 HydrophobicContact CG2-CG 3.96Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å |
| 596 | L | 86.9 | Confident | 83.6 | Confident | 16 Ų | 16 | 84.7 Ų | 84.7 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.3 | -178.2 | -57.9 | -179.4 | 0 | 0 | 0 | 108.7 | V569 L572 L580 L582 A594 | V569-L596 HydrophobicContact CG2-CD1 3.92Å; L572-L596 HydrophobicContact CD1-CB 4.2Å; L572-L596 HydrophobicContact CD1-CD1 4.4Å; L572-L596 HydrophobicContact CD2-CB 3.78Å; L572-L596 HydrophobicContact CD2-CD1 4.5Å; L580-L596 HydrophobicContact CB-CB 4.32Å; L580-L596 HydrophobicContact CD2-CD1 4.14Å; L580-L596 PolarHBondContact N-O 2.79Å; L580-L596 PolarHBondContact O-N 2.93Å; L582-L596 HydrophobicContact CD1-CD1 3.77Å; L582-L596 HydrophobicContact CD1-CG 3.83Å; A594-L596 HydrophobicContact CB-CD2 4.38Å |
| 597 | R | 83.9 | Confident | 83.8 | Confident | 121 Ų | 121 | 78.3 Ų | 78.3 | 46% | 0.457 | 39% | 0.388 | S | S | . | . | trans | -143.7 | 147.1 | -179.8 | -58 | -170.5 | -173.2 | 88.5 | 3.1 | 109.7 | M579 Q600 | M579-R597 HydrophobicContact CB-CG 4.45Å; M579-R597 HydrophobicContact CG-CG 4.41Å; M579-R597 PolarHBondContact SD-NH2 2.82Å; R597-Q600 PolarHBondContact O-NE2 2.87Å | ||
| 598 | G | 74.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 64.7 | -174.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L572 V574 Q600 | L572-G598 VanDerWaalsContact CD2-O 3.3Å; L572-G598 WeakPolarHBondContact CD2-O 3.33Å; V574-G598 VanDerWaalsContact O-CA 3.31Å; V574-G598 WeakPolarHBondContact O-CA 3.24Å; G598-Q600 PolarHBondContact O-N 2.93Å |
| 599 | P | 71.7 | Confident | 83.8 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -68.1 | 128.4 | 170.7 | 27.8 | -33.3 | 0 | 0 | 0 | 111.2 | L572 | L572-P599 WeakPolarHBondContact O-CA 3.42Š|
| 600 | Q | 67.6 | Low | 84.1 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | trans | -127.7 | 147.8 | 179.2 | -64.3 | -68.2 | -30.5 | 0 | 0 | 111.5 | L572 R597 G598 | L572-Q600 HydrophobicContact CD2-CB 3.64Å; L572-Q600 HydrophobicContact CD2-CG 3.45Å; L572-Q600 VanDerWaalsContact CD2-CG 3.45Å; L572-Q600 PolarHBondContact O-N 3.11Å; R597-Q600 PolarHBondContact O-NE2 2.87Å; G598-Q600 PolarHBondContact O-N 2.93Å | ||
| 601 | P | 65.9 | Low | 84.4 | Confident | 102 Ų | 102 | 74 Ų | 74 | 66% | 0.662 | 36% | 0.355 | S | S | * | . | trans | -67.7 | 153.7 | 173.9 | 30 | -35.4 | 0 | 0 | 0 | 111.5 | R603 | P601-R603 PolarHBondContact O-N 2.88Š| ||
| 602 | R | 78.9 | Confident | 84.6 | Confident | 161 Ų | 161 | 65.1 Ų | 65.1 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | trans | -51.3 | 123.6 | 178 | -67.8 | -176 | 179.1 | -142.4 | -5.8 | 111.2 | V569 E570 | V569-R602 WeakPolarHBondContact O-CA 3.35Å; E570-R602 WeakPolarHBondContact O-CG 3.37Å; E570-R602 PolarHBondContact O-NE 3.37Å; E570-R602 IonicContact OE1-CZ 3.45Å; E570-R602 IonicContact OE1-NH1 3.95Å; E570-R602 PolarHBondContact OE1-NH1 3.46Å; E570-R602 IonicContact OE1-NH2 3.56Å; E570-R602 PolarHBondContact OE1-NH2 2.82Å; E570-R602 IonicContact OE2-NH1 2.73Å | ||
| 603 | R | 83 | Confident | 84.8 | Confident | 150 Ų | 150 | 62.3 Ų | 62.3 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.3 | -174.7 | -178.2 | 171.1 | 176.4 | -179.1 | -2.7 | 111.1 | V569 P601 L605 | V569-R603 PolarHBondContact N-O 3.05Å; V569-R603 PolarHBondContact O-N 2.96Å; P601-R603 PolarHBondContact O-N 2.88Å; R603-L605 HydrophobicContact CG-CD2 4.4Å |
| 604 | R | 86.7 | Confident | 85.1 | Confident | 174 Ų | 174 | 59.6 Ų | 59.6 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 142.1 | 170.3 | -66.2 | 179.3 | -67.1 | -168.5 | 1.2 | 110.4 | L566 L567 Q568 | L566-R604 HydrophobicContact CD1-CB 4.32Å; L567-R604 CarbonylContact O-C 3.57Å; L567-R604 WeakPolarHBondContact O-CA 3.45Å; Q568-R604 HydrophobicContact CB-CG 4.2Å; Q568-R604 HydrophobicContact CG-CG 4.06Å |
| 605 | L | 88.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.9 | 179.1 | -62.3 | 173.6 | 0 | 0 | 0 | 108.1 | L567 L582 A594 R603 | L567-L605 PolarHBondContact N-O 2.9Å; L567-L605 PolarHBondContact O-N 2.67Å; L582-L605 HydrophobicContact CD2-CD1 3.82Å; A594-L605 HydrophobicContact CB-CD1 4.02Å; R603-L605 HydrophobicContact CG-CD2 4.4Å |
| 606 | L | 88.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.8 | -174.5 | -175 | 70.7 | 0 | 0 | 0 | 108.9 | R564 I565 L566 V638 N641 | R564-L606 HydrophobicContact CB-CD1 4.03Å; I565-L606 WeakPolarHBondContact O-CA 3.22Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.2Å; L606-V638 HydrophobicContact CD1-CG2 3.5Å; L606-V638 VanDerWaalsContact CD1-CG2 3.5Å; L606-N641 HydrophobicContact CD2-CB 4.02Å |
| 607 | S | 91.4 | Very high | 85.8 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | trans | -72.8 | 165.6 | 171.1 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | R564 I565 D584 G609 | R564-S607 WeakPolarHBondContact CD-O 3.49Å; R564-S607 WeakPolarHBondContact CG-O 3.38Å; I565-S607 PolarHBondContact N-OG 3.46Å; I565-S607 PolarHBondContact O-N 3.32Å; D584-S607 VanDerWaalsContact OD1-CA 3.22Å; D584-S607 WeakPolarHBondContact OD1-CA 3.23Å; D584-S607 WeakPolarHBondContact OD1-CB 3.4Å; S607-G609 PolarHBondContact OG-O 3.45Å | ||
| 608 | S | 85.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -91.9 | -20.9 | 171.1 | 68 | 0 | 0 | 0 | 0 | 113.6 | R564 D584 | R564-S608 VanDerWaalsContact NE-C 3.34Å; R564-S608 PolarHBondContact NE-O 2.83Å; R564-S608 PolarHBondContact NH2-O 3.4Å; D584-S608 VanDerWaalsContact CG-OG 3.26Å; D584-S608 PolarHBondContact OD1-N 2.04Å; D584-S608 PolarHBondContact OD1-OG 3.17Å; D584-S608 WeakPolarHBondContact OD2-CB 3.44Å; D584-S608 PolarHBondContact OD2-OG 2.97Å |
| 609 | G | 87 | Confident | 86.2 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -129.9 | -168.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S607 D611 | S607-G609 PolarHBondContact OG-O 3.45Å; G609-D611 VanDerWaalsContact C-N 3.3Å |
| 610 | P | 90.9 | Very high | 86.4 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.5 | -19 | -179.1 | 31.7 | -34.1 | 0 | 0 | 0 | 113.2 | V559 I565 | V559-P610 HydrophobicContact CG2-CB 4.28Å; V559-P610 WeakPolarHBondContact CG2-O 3.44Å; V559-P610 PolarHBondContact N-O 3.48Å; V559-P610 VanDerWaalsContact N-O 3.08Å; V559-P610 WeakPolarHBondContact O-CB 3.48Å; I565-P610 WeakPolarHBondContact CD1-O 3.38Å |
| 611 | D | 93.6 | Very high | 86.2 | Confident | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.4 | -176 | -43.6 | -69.8 | 0 | 0 | 0 | 112.3 | L557 H558 G585 D586 G609 | L557-D611 CarbonylContact O-C 3.57Å; L557-D611 WeakPolarHBondContact O-CA 3.44Å; H558-D611 IonicContact CE1-OD1 3.47Å; H558-D611 IonicContact CG-OD1 3.19Å; H558-D611 IonicContact ND1-OD1 2.77Å; H558-D611 PolarHBondContact ND1-OD1 3.01Å; G585-D611 PolarHBondContact N-O 2.76Å; D586-D611 HydrophobicContact CB-CB 4.47Å; G609-D611 VanDerWaalsContact C-N 3.3Å |
| 612 | L | 94.9 | Very high | 85.9 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 115 | 174 | 179.9 | 71.2 | 0 | 0 | 0 | 109.8 | L557 I565 L567 F583 L593 L614 | L557-L612 HydrophobicContact CB-CB 4.28Å; L557-L612 VanDerWaalsContact CB-O 3.24Å; L557-L612 WeakPolarHBondContact CB-O 3.37Å; L557-L612 HydrophobicContact CD1-CB 4.26Å; L557-L612 HydrophobicContact CD1-CD2 3.88Å; L557-L612 HydrophobicContact CD1-CG 4.19Å; L557-L612 PolarHBondContact N-O 3.24Å; L557-L612 PolarHBondContact O-N 2.81Å; I565-L612 HydrophobicContact CB-CB 4.33Å; I565-L612 HydrophobicContact CB-CD2 4.27Å; I565-L612 HydrophobicContact CD1-CB 3.65Å; I565-L612 HydrophobicContact CG2-CB 4.49Å; I565-L612 HydrophobicContact CG2-CD2 3.76Å; L567-L612 HydrophobicContact CB-CD2 4.12Å; L567-L612 HydrophobicContact CD2-CD2 4.31Å; F583-L612 WeakPolarHBondContact O-CD1 3.04Å; L593-L612 HydrophobicContact CD1-CD1 3.53Å; L612-L614 HydrophobicContact CD2-CD2 4.33Å; L612-L614 HydrophobicContact CG-CD2 4.28Å |
| 613 | T | 95.7 | Very high | 84.8 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.2 | 176.8 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | V554 W555 F583 G585 G587 | V554-T613 HydrophobicContact CG1-CG2 3.75Å; W555-T613 WeakPolarHBondContact O-CA 3.24Å; F583-T613 HydrophobicContact CD2-CG2 4.35Å; F583-T613 PolarHBondContact N-O 2.96Å; F583-T613 PolarHBondContact O-N 3.15Å; G585-T613 PolarHBondContact O-N 3.5Å; G585-T613 VanDerWaalsContact O-N 3.11Å; G585-T613 PolarHBondContact O-OG1 2.88Å; G587-T613 VanDerWaalsContact CA-OG1 3.3Å; G587-T613 WeakPolarHBondContact CA-OG1 3.4Å; G587-T613 PolarHBondContact N-OG1 2.82Å; G587-T613 VanDerWaalsContact N-OG1 3.1Å |
| 614 | L | 94.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.3 | 174.1 | -51.6 | 179.8 | 0 | 0 | 0 | 109.2 | V538 V554 W555 L557 L567 L582 L612 L633 | V538-L614 HydrophobicContact CB-CD1 4.16Å; V538-L614 HydrophobicContact CG1-CD1 4.09Å; V538-L614 HydrophobicContact CG2-CD1 4Å; V554-L614 CarbonylContact C-O 3.47Å; V554-L614 WeakPolarHBondContact CA-O 3.42Å; W555-L614 HydrophobicContact CB-CB 4.41Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 3.44Å; W555-L614 PolarHBondContact O-N 2.83Å; L557-L614 HydrophobicContact CD1-CD1 3.82Å; L557-L614 HydrophobicContact CD1-CD2 4.46Å; L557-L614 HydrophobicContact CD1-CG 3.96Å; L567-L614 HydrophobicContact CD2-CD2 4.04Å; L582-L614 HydrophobicContact CB-CD2 4.2Å; L582-L614 HydrophobicContact CD2-CD2 3.56Å; L582-L614 HydrophobicContact CG-CD2 3.64Å; L612-L614 HydrophobicContact CD2-CD2 4.33Å; L612-L614 HydrophobicContact CG-CD2 4.28Å; L614-L633 HydrophobicContact CD1-CD1 3.85Å |
| 615 | Q | 94.5 | Very high | 81.4 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.5 | 171.2 | -176.1 | 167.7 | 22.7 | 0 | 0 | 110.6 | D552 C553 V554 L580 T581 F583 Q617 | D552-Q615 PolarHBondContact OD1-NE2 3Å; D552-Q615 PolarHBondContact OD2-NE2 2.84Å; C553-Q615 CarbonylContact O-C 3.57Å; C553-Q615 VanDerWaalsContact O-CA 3.32Å; C553-Q615 WeakPolarHBondContact O-CA 3.42Å; V554-Q615 HydrophobicContact CG2-CB 4.31Å; V554-Q615 HydrophobicContact CG2-CG 3.92Å; L580-Q615 CarbonylContact C-O 3.52Å; L580-Q615 WeakPolarHBondContact CA-O 3.37Å; T581-Q615 PolarHBondContact N-O 3.48Å; T581-Q615 PolarHBondContact O-N 3.41Å; F583-Q615 HydrophobicContact CE2-CB 3.82Å; Q615-Q617 HydrophobicContact CG-CG 4.2Å |
| 616 | F | 93.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.2 | 173.7 | 174.5 | -123.3 | 0 | 0 | 0 | 110.8 | P541 Y547 Q551 D552 C553 W555 V574 D578 L580 A618 F631 | P541-F616 HydrophobicContact CG-CD1 4.48Å; Y547-F616 HydrophobicContact CD1-CZ 4.47Å; Y547-F616 AromaticContact CD2-CE1 3.83Å; Y547-F616 HydrophobicContact CD2-CE1 3.83Å; Y547-F616 AromaticContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CE1-CZ 4.36Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CG-CE1 4.06Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.93Å; Q551-F616 HydrophobicContact CB-CE1 4.47Å; D552-F616 CarbonylContact C-O 3.54Å; D552-F616 WeakPolarHBondContact CA-O 3.48Å; C553-F616 HydrophobicContact CB-CB 4.47Å; C553-F616 PolarHBondContact N-O 2.98Å; C553-F616 PolarHBondContact O-N 3.34Å; W555-F616 HydrophobicContact CH2-CB 4.05Å; W555-F616 HydrophobicContact CZ3-CB 3.67Å; V574-F616 HydrophobicContact CG1-CE2 3.55Å; V574-F616 HydrophobicContact CG1-CZ 4.04Å; D578-F616 HydrophobicContact CB-CE2 4.09Å; L580-F616 HydrophobicContact CB-CD2 4.45Å; L580-F616 HydrophobicContact CD1-CB 4.2Å; F616-A618 HydrophobicContact CE1-CB 4.13Å; F616-A618 HydrophobicContact CZ-CB 3.84Å; F616-F631 HydrophobicContact CB-CE1 3.99Å; F616-F631 HydrophobicContact CB-CZ 4Å; F616-F631 AromaticContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CZ 4.42Å; F616-F631 AromaticContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CE1-CE1 4.38Å; F616-F631 HydrophobicContact CE2-CE1 4.17Å; F616-F631 AromaticContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CZ 4.07Å; F616-F631 HydrophobicContact CZ-CE1 4.48Å |
| 617 | Q | 90.9 | Very high | 77.9 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.6 | 178.5 | -74.8 | 171.8 | -16.1 | 0 | 0 | 110.4 | Q551 D552 D578 M579 Q615 | Q551-Q617 WeakPolarHBondContact O-CA 3.48Å; D552-Q617 HydrophobicContact CB-CG 4.46Å; D552-Q617 VanDerWaalsContact OD1-CG 3.24Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.46Å; D578-Q617 CarbonylContact C-O 3.59Å; D578-Q617 WeakPolarHBondContact CA-O 3.42Å; M579-Q617 VanDerWaalsContact CE-OE1 3.29Å; M579-Q617 PolarHBondContact N-O 2.96Å; M579-Q617 PolarHBondContact O-N 3.28Å; Q615-Q617 HydrophobicContact CG-CG 4.2Å |
| 618 | A | 86.7 | Confident | 76.1 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | trans | -116.1 | 109.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y547 G550 Q551 F616 | Y547-A618 HydrophobicContact CD2-CB 4.29Å; Y547-A618 HydrophobicContact CE2-CB 4.11Å; G550-A618 CarbonylContact C-O 3.57Å; G550-A618 WeakPolarHBondContact CA-O 3.41Å; G550-A618 PolarHBondContact N-O 2.9Å; Q551-A618 HydrophobicContact CB-CB 4.45Å; Q551-A618 PolarHBondContact N-O 2.98Å; Q551-A618 PolarHBondContact O-N 3.29Å; F616-A618 HydrophobicContact CE1-CB 4.13Å; F616-A618 HydrophobicContact CZ-CB 3.84Å | ||
| 619 | P | 80.9 | Confident | 75.2 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | trans | -57.1 | 150.2 | -179.6 | 21.2 | -33.4 | 0 | 0 | 0 | 113.1 | G550 D578 G621 | G550-P619 PolarHBondContact N-O 3.43Å; D578-P619 WeakPolarHBondContact OD1-CD 3.31Å; P619-G621 PolarHBondContact O-N 2.73Å | ||
| 620 | P | 74.9 | Confident | 74.9 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | trans | -68.6 | 130.4 | 176.2 | 28.7 | -34.4 | 0 | 0 | 0 | 110.8 | ||||
| 621 | G | 64.4 | Low | 74.7 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | -170 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P549 P619 | P549-G621 WeakPolarHBondContact CB-O 3.49Å; P549-G621 WeakPolarHBondContact CG-O 3.47Å; P619-G621 PolarHBondContact O-N 2.73Å | ||
| 622 | P | 59.4 | Low | 74.6 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | trans | -62.3 | 147.7 | 177.4 | 27.4 | -34.7 | 0 | 0 | 0 | 111.2 | N624 | P622-N624 PolarHBondContact O-N 2.75Š| ||
| 623 | P | 55.2 | Low | 74.5 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | trans | -73.6 | 78.4 | 174.7 | 31.9 | -35 | 0 | 0 | 0 | 110.2 | P625 | P623-P625 WeakPolarHBondContact O-CD 3.17Š| ||
| 624 | N | 49.7 | Very low | 74.4 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | trans | -61.9 | 123.8 | 172.7 | -76.7 | -1.9 | 0 | 0 | 0 | 109.6 | P622 G626 | P622-N624 PolarHBondContact O-N 2.75Å; N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 2.9Å | ||
| 625 | P | 47.8 | Very low | 74.3 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 83% | 0.825 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -74.9 | 78.8 | 176.4 | 30.7 | -34.3 | 0 | 0 | 0 | 109.9 | P623 | P623-P625 WeakPolarHBondContact O-CD 3.17Š|
| 626 | G | 49 | Very low | 74.3 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -171.3 | 112.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N624 G628 | N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 2.9Å; G626-G628 PolarHBondContact O-N 2.83Å |
| 627 | L | 54.8 | Low | 74.3 | Confident | 141 Ų | 141 | 62.4 Ų | 62.4 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 57.6 | 51.6 | 151.6 | -145.8 | 74 | 0 | 0 | 0 | 117.6 | ||
| 628 | G | 55.2 | Low | 74 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | trans | -138.8 | 90.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110 | S546 N573 G626 G630 | S546-G628 WeakPolarHBondContact CB-O 3.38Å; N573-G628 CarbonylContact O-C 3.57Å; N573-G628 WeakPolarHBondContact O-CA 3.34Å; G626-G628 PolarHBondContact O-N 2.83Å; G628-G630 VanDerWaalsContact C-N 3.35Å | ||
| 629 | Q | 64.7 | Low | 73.6 | Confident | 125 Ų | 125 | 65.1 Ų | 65.1 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | trans | -79.8 | -17 | 178.6 | -72.1 | 175.1 | -37.4 | 0 | 0 | 112.8 | W543 N573 | W543-Q629 VanDerWaalsContact CE3-O 3.25Å; W543-Q629 WeakPolarHBondContact CZ3-O 3.38Å; N573-Q629 HydrophobicContact CB-CB 4.15Å; N573-Q629 PolarHBondContact ND2-OE1 2.8Å; N573-Q629 PolarHBondContact O-N 2.89Å | ||
| 630 | G | 80.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.9 | -154.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S540 N573 G628 | S540-G630 VanDerWaalsContact OG-CA 3.22Å; S540-G630 WeakPolarHBondContact OG-CA 3.23Å; N573-G630 CarbonylContact C-O 3.42Å; N573-G630 PolarHBondContact N-O 2.79Å; N573-G630 PolarHBondContact O-N 2.85Å; G628-G630 VanDerWaalsContact C-N 3.35Å |
| 631 | F | 87.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.2 | 179.6 | 58.9 | -105.3 | 0 | 0 | 0 | 113.5 | V538 L539 S540 W555 I571 L572 V574 L580 F616 L633 | V538-F631 HydrophobicContact CG1-CE2 4.45Å; L539-F631 VanDerWaalsContact C-CE2 3.49Å; L539-F631 WeakPolarHBondContact CA-O 3.29Å; S540-F631 PolarHBondContact N-O 2.99Å; S540-F631 PolarHBondContact OG-N 3.41Å; S540-F631 VanDerWaalsContact OG-N 3.15Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CZ3-CZ 4.01Å; I571-F631 CarbonylContact O-C 3.56Å; I571-F631 VanDerWaalsContact O-CA 3.28Å; I571-F631 WeakPolarHBondContact O-CA 3.39Å; I571-F631 WeakPolarHBondContact O-CB 3.34Å; L572-F631 HydrophobicContact CD1-CB 4.02Å; V574-F631 HydrophobicContact CG2-CB 4.46Å; V574-F631 HydrophobicContact CG2-CD1 4.09Å; L580-F631 HydrophobicContact CD1-CE1 4.45Å; L580-F631 HydrophobicContact CD1-CZ 4.24Å; L580-F631 HydrophobicContact CD2-CD1 4.46Å; L580-F631 HydrophobicContact CD2-CG 4.45Å; F616-F631 HydrophobicContact CB-CE1 3.99Å; F616-F631 HydrophobicContact CB-CZ 4Å; F616-F631 AromaticContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CZ 4.42Å; F616-F631 AromaticContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CE1-CE1 4.38Å; F616-F631 HydrophobicContact CE2-CE1 4.17Å; F616-F631 AromaticContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CZ 4.07Å; F616-F631 HydrophobicContact CZ-CE1 4.48Å; F631-L633 HydrophobicContact CD2-CD1 3.79Å; F631-L633 HydrophobicContact CD2-CG 3.83Å; F631-L633 HydrophobicContact CE2-CD1 3.91Å; F631-L633 HydrophobicContact CE2-CG 4.41Å |
| 632 | V | 90.4 | Very high | 72.4 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 9% | 0.085 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.9 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | V537 L539 W543 E570 I571 | V537-V632 HydrophobicContact CG1-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CB 4.35Å; L539-V632 HydrophobicContact CD2-CG1 4.04Å; L539-V632 HydrophobicContact CD2-CG2 3.93Å; W543-V632 HydrophobicContact CD2-CG2 3.99Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CE3-CG2 4.21Å; W543-V632 HydrophobicContact CH2-CG2 3.6Å; W543-V632 HydrophobicContact CZ2-CG2 3.3Å; W543-V632 HydrophobicContact CZ3-CG2 4.02Å; E570-V632 PolarHBondContact N-O 2.8Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.18Å; I571-V632 HydrophobicContact CD1-CG2 4.15Å; I571-V632 HydrophobicContact CG1-CB 4.41Å; I571-V632 HydrophobicContact CG1-CG2 4.42Å; I571-V632 PolarHBondContact N-O 2.87Å; I571-V632 PolarHBondContact O-N 2.82Å |
| 633 | L | 92.5 | Very high | 72.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.7 | -176.2 | -48.4 | 169.9 | 0 | 0 | 0 | 108.7 | V537 V538 L567 V569 L580 L614 F631 | V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.31Å; V538-L633 HydrophobicContact CB-CB 4.34Å; V538-L633 HydrophobicContact CB-CD1 4.42Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.26Å; L567-L633 HydrophobicContact CD1-CB 4.03Å; V569-L633 HydrophobicContact CB-CD2 4.27Å; V569-L633 HydrophobicContact CG1-CD2 4.1Å; V569-L633 HydrophobicContact CG2-CD2 3.97Å; L580-L633 HydrophobicContact CD2-CD1 3.79Å; L580-L633 HydrophobicContact CD2-CD2 4.17Å; L614-L633 HydrophobicContact CD1-CD1 3.85Å; F631-L633 HydrophobicContact CD2-CD1 3.79Å; F631-L633 HydrophobicContact CD2-CG 3.83Å; F631-L633 HydrophobicContact CE2-CD1 3.91Å; F631-L633 HydrophobicContact CE2-CG 4.41Å |
| 634 | H | 93.8 | Very high | 73.9 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.1 | 174.1 | -70.9 | -94.9 | 0 | 0 | 0 | 109.5 | L567 Q568 E570 | L567-H634 CarbonylContact C-O 3.58Å; Q568-H634 PolarHBondContact N-O 3.24Å; Q568-H634 PolarHBondContact O-N 3.04Å; E570-H634 IonicContact OE2-CD2 3.85Å; E570-H634 IonicContact OE2-NE2 2.74Å |
| 635 | F | 94.6 | Very high | 75.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.8 | 175 | 75.9 | -86.4 | 0 | 0 | 0 | 111.1 | L531 E533 A535 G536 V538 L557 I565 L566 L567 | L531-F635 HydrophobicContact CB-CZ 4.23Å; L531-F635 HydrophobicContact CD1-CE1 4.27Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å; A535-F635 CarbonylContact C-O 3.57Å; A535-F635 VanDerWaalsContact CA-O 3.28Å; A535-F635 WeakPolarHBondContact CA-O 3.37Å; G536-F635 PolarHBondContact N-O 2.93Å; G536-F635 WeakPolarHBondContact O-CD1 3.31Å; G536-F635 PolarHBondContact O-N 3.07Å; V538-F635 HydrophobicContact CG2-CD1 4.24Å; V538-F635 HydrophobicContact CG2-CE1 4.37Å; L557-F635 HydrophobicContact CD1-CG 4.48Å; L557-F635 HydrophobicContact CD2-CD1 3.57Å; L557-F635 HydrophobicContact CD2-CD2 3.96Å; L557-F635 HydrophobicContact CD2-CE1 3.44Å; L557-F635 VanDerWaalsContact CD2-CE1 3.44Å; L557-F635 HydrophobicContact CD2-CE2 3.84Å; L557-F635 HydrophobicContact CD2-CG 3.83Å; L557-F635 HydrophobicContact CD2-CZ 3.59Å; I565-F635 HydrophobicContact CG2-CB 3.95Å; I565-F635 HydrophobicContact CG2-CD2 4.48Å; L566-F635 WeakPolarHBondContact O-CA 3.02Å; L567-F635 HydrophobicContact CD1-CB 3.67Å |
| 636 | K | 93.3 | Very high | 76.9 | Confident | 110 Ų | 110 | 58 Ų | 58 | 48% | 0.478 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 154.8 | 168.9 | 63.9 | 173.9 | -173.9 | 170.2 | 0 | 112.5 | P534 A535 L566 | P534-K636 CarbonylContact O-C 3.59Å; P534-K636 WeakPolarHBondContact O-CA 3.3Å; A535-K636 HydrophobicContact CB-CB 3.73Å; L566-K636 HydrophobicContact CB-CG 4.39Å; L566-K636 PolarHBondContact N-O 2.99Å; L566-K636 PolarHBondContact O-N 2.93Å |
| 637 | E | 92.4 | Very high | 78.6 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 144.9 | 167.9 | 67.8 | 167 | -125.1 | 0 | 0 | 111.8 | P534 V559 Q560 K563 R564 | P534-E637 HydrophobicContact CB-CG 4.09Å; P534-E637 PolarHBondContact O-N 3.42Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.34Å; Q560-E637 PolarHBondContact NE2-OE2 2.97Å; K563-E637 HydrophobicContact CB-CB 4.2Å; K563-E637 HydrophobicContact CG-CB 4.26Å; R564-E637 CarbonylContact O-C 3.59Å; R564-E637 WeakPolarHBondContact O-CA 3.05Å |
| 638 | V | 86.5 | Confident | 79.9 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.8 | 170.9 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | K563 R564 L566 L606 | K563-V638 WeakPolarHBondContact CA-O 3.38Å; K563-V638 WeakPolarHBondContact CB-O 3.33Å; R564-V638 HydrophobicContact CB-CG2 4.06Å; R564-V638 PolarHBondContact N-O 3.41Å; R564-V638 WeakPolarHBondContact O-CG2 3.37Å; R564-V638 PolarHBondContact O-N 2.96Å; L566-V638 HydrophobicContact CB-CG1 3.73Å; L566-V638 HydrophobicContact CB-CG2 3.92Å; L566-V638 HydrophobicContact CD2-CG1 4.2Å; L606-V638 HydrophobicContact CD1-CG2 3.5Å; L606-V638 VanDerWaalsContact CD1-CG2 3.5Å |
| 639 | P | 78.1 | Confident | 81.4 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 155 | 172.4 | 26.8 | -35.5 | 0 | 0 | 0 | 111.6 | N641 | P639-N641 PolarHBondContact O-N 3.49Å; P639-N641 VanDerWaalsContact O-N 3.09Å |
| 640 | R | 70.4 | Confident | 82.6 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | trans | -65.2 | 111 | 178.3 | -78.9 | 174.1 | -179.8 | -128.3 | 9.4 | 110.9 | E561 E562 K563 R564 D642 T643 | E561-R640 PolarHBondContact O-NH2 2.98Å; E562-R640 WeakPolarHBondContact O-CD 3.16Å; E562-R640 WeakPolarHBondContact O-CG 3.24Å; E562-R640 PolarHBondContact O-NE 3.26Å; K563-R640 PolarHBondContact O-NE 3.06Å; R564-R640 HydrophobicContact CG-CG 3.94Å; R640-D642 PolarHBondContact O-N 2.98Å; R640-T643 PolarHBondContact O-N 3.4Å; R640-T643 PolarHBondContact O-OG1 2.9Å | ||
| 641 | N | 61.8 | Low | 82.8 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 32.1 | 177.4 | -161.5 | 92.2 | 0 | 0 | 0 | 114.6 | L606 P639 L690 | L606-N641 HydrophobicContact CD2-CB 4.02Å; P639-N641 PolarHBondContact O-N 3.49Å; P639-N641 VanDerWaalsContact O-N 3.09Å; N641-L690 WeakPolarHBondContact O-CD1 3.2Å |
| 642 | D | 62.3 | Low | 82.8 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 10 | 169.3 | -60.7 | -12.8 | 0 | 0 | 0 | 111.1 | R564 R640 I663 R664 L690 | R564-D642 IonicContact CZ-OD1 3.7Å; R564-D642 IonicContact CZ-OD2 2.6Å; R564-D642 IonicContact NH1-OD1 3.51Å; R564-D642 PolarHBondContact NH1-OD1 3Å; R564-D642 IonicContact NH1-OD2 3.9Å; R564-D642 PolarHBondContact NH1-OD2 3.03Å; R564-D642 IonicContact NH2-OD1 3.23Å; R564-D642 PolarHBondContact NH2-OD1 3.48Å; R564-D642 IonicContact NH2-OD2 2.76Å; R564-D642 PolarHBondContact NH2-OD2 2.9Å; R640-D642 PolarHBondContact O-N 2.98Å; D642-I663 CarbonylContact O-C 3.6Å; D642-I663 WeakPolarHBondContact O-CA 3.24Å; D642-R664 PolarHBondContact O-N 3.07Å; D642-R664 IonicContact OD1-NH1 2.66Å; D642-L690 WeakPolarHBondContact O-CD2 3.3Å |
| 643 | T | 69.1 | Low | 82.7 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -88.1 | 132.8 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | R640 L662 I663 | R640-T643 PolarHBondContact O-N 3.4Å; R640-T643 PolarHBondContact O-OG1 2.9Å; T643-L662 CarbonylContact C-O 3.49Å; T643-L662 VanDerWaalsContact CA-O 3.3Å; T643-L662 WeakPolarHBondContact CA-O 3.04Å; T643-I663 HydrophobicContact CG2-CG2 3.91Å |
| 644 | C | 75.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67 | 154.9 | 165.5 | -75.5 | 0 | 0 | 0 | 0 | 111.3 | L662 C686 L690 S691 W692 | C644-L662 PolarHBondContact N-O 3.47Å; C644-C686 HydrophobicContact CB-CB 3.85Å; C644-C686 WeakPolarHBondContact CB-SG 3.31Å; C644-C686 WeakPolarHBondContact SG-CA 3.37Å; C644-C686 WeakPolarHBondContact SG-CB 3.44Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 2.95Å; C644-L690 PolarHBondContact SG-O 2.73Å; C644-L690 VanDerWaalsContact SG-O 3.4Å; C644-S691 PolarHBondContact SG-O 3.36Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; C644-W692 HydrophobicContact CB-CD2 4.22Å; C644-W692 HydrophobicContact CB-CH2 4.28Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å |
| 645 | P | 80.3 | Confident | 82.2 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 53% | 0.532 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143 | 179.1 | 25.8 | -35.2 | 0 | 0 | 0 | 111.6 | L647 L690 W692 | P645-L647 PolarHBondContact O-N 3.42Å; P645-L690 WeakPolarHBondContact CD-O 3.37Å; P645-W692 PolarHBondContact O-NE1 2.6Å |
| 646 | E | 80.4 | Confident | 81.8 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 65% | 0.654 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 128.9 | -177.6 | -177.6 | 158 | -141.4 | 0 | 0 | 112.5 | R655 L662 | E646-R655 IonicContact OE1-CZ 3.49Å; E646-R655 IonicContact OE1-NH1 3.66Å; E646-R655 IonicContact OE1-NH2 3.71Å; E646-R655 PolarHBondContact OE1-NH2 2.93Å; E646-L662 HydrophobicContact CB-CD1 3.92Å; E646-L662 HydrophobicContact CG-CD1 4.04Å |
| 647 | L | 85 | Confident | 81.3 | Confident | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.141 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 137.4 | 175 | -62.1 | 177.9 | 0 | 0 | 0 | 110.5 | P645 R655 L668 Y670 L684 W692 P696 | P645-L647 PolarHBondContact O-N 3.42Å; L647-R655 PolarHBondContact O-NE 2.84Å; L647-R655 PolarHBondContact O-NH1 2.86Å; L647-L668 HydrophobicContact CD1-CD1 4.32Å; L647-Y670 WeakPolarHBondContact CB-OH 3.22Å; L647-L684 HydrophobicContact CD1-CD2 3.52Å; L647-W692 HydrophobicContact CD1-CB 4.43Å; L647-W692 HydrophobicContact CD1-CD2 4.02Å; L647-W692 HydrophobicContact CD1-CG 3.76Å; L647-W692 HydrophobicContact CG-CG 4.42Å; L647-P696 HydrophobicContact CD1-CB 4.36Å; L647-P696 HydrophobicContact CD2-CG 4.36Å |
| 648 | P | 83.4 | Confident | 80.6 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 158 | 176.7 | 29.2 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 649 | P | 86.3 | Confident | 79.7 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 152.9 | 163.1 | 31.7 | -34.7 | 0 | 0 | 0 | 110.7 | R655 | P649-R655 HydrophobicContact CB-CG 4.41Š|
| 650 | P | 88.3 | Confident | 79.1 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 11% | 0.11 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -76 | 150.5 | 176.9 | 33.1 | -33.5 | 0 | 0 | 0 | 110.6 | W652 G653 Y670 | P650-W652 PolarHBondContact O-N 2.77Å; P650-G653 PolarHBondContact O-N 3.2Å; P650-Y670 HydrophobicContact CG-CD1 4.06Å |
| 651 | E | 86.9 | Confident | 78.9 | Confident | 161 Ų | 161 | 76.4 Ų | 76.4 | 75% | 0.752 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 137.5 | 168.1 | -63 | -170.3 | 166.3 | 0 | 0 | 110 | G653 C699 | E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.39Å; E651-C699 WeakPolarHBondContact O-CB 3.34Å |
| 652 | W | 87 | Confident | 79.6 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 53% | 0.527 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 38.2 | -176.1 | -44.5 | 96.6 | 0 | 0 | 0 | 113.5 | P650 E673 Y676 | P650-W652 PolarHBondContact O-N 2.77Å; W652-E673 WeakPolarHBondContact O-CB 3.47Å; W652-E673 PolarHBondContact O-N 2.91Å; W652-Y676 HydrophobicContact CB-CD1 3.73Å; W652-Y676 HydrophobicContact CB-CD2 4.14Å; W652-Y676 HydrophobicContact CB-CE1 3.56Å; W652-Y676 HydrophobicContact CB-CE2 4.02Å; W652-Y676 HydrophobicContact CB-CG 4.04Å; W652-Y676 AromaticContact CD1-CE1 3.62Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 HydrophobicContact CD2-CE2 4.46Å; W652-Y676 AromaticContact CD2-CZ 3.83Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE1 3.48Å; W652-Y676 VanDerWaalsContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE2 4.22Å; W652-Y676 AromaticContact CG-CZ 3.52Å |
| 653 | G | 87.9 | Confident | 80.3 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -174.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P650 E651 Q671 | P650-G653 PolarHBondContact O-N 3.2Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.39Å; G653-Q671 CarbonylContact C-O 3.55Å; G653-Q671 WeakPolarHBondContact CA-O 3.05Å |
| 654 | W | 86.6 | Confident | 80.7 | Confident | 108 Ų | 108 | 77.1 Ų | 77.1 | 41% | 0.409 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.8 | 177.4 | 62.8 | 94.4 | 0 | 0 | 0 | 111.4 | Q671 E673 | W654-Q671 HydrophobicContact CD2-CB 4.13Å; W654-Q671 HydrophobicContact CH2-CB 4.27Å; W654-Q671 HydrophobicContact CZ2-CB 3.63Å; W654-Q671 HydrophobicContact CZ2-CG 4.49Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.13Å; W654-Q671 PolarHBondContact O-N 3.25Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.13Å |
| 655 | R | 89.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.2 | 168.9 | 66.1 | 177.8 | 178.4 | 134.2 | 8.3 | 109.8 | E646 L647 P649 T669 Y670 | E646-R655 IonicContact OE1-CZ 3.49Å; E646-R655 IonicContact OE1-NH1 3.66Å; E646-R655 IonicContact OE1-NH2 3.71Å; E646-R655 PolarHBondContact OE1-NH2 2.93Å; L647-R655 PolarHBondContact O-NE 2.84Å; L647-R655 PolarHBondContact O-NH1 2.86Å; P649-R655 HydrophobicContact CB-CG 4.41Å; R655-T669 CarbonylContact C-O 3.58Å; R655-T669 WeakPolarHBondContact CA-O 3.37Å; R655-Y670 HydrophobicContact CB-CD1 3.94Å; R655-Y670 HydrophobicContact CB-CE1 3.78Å; R655-Y670 HydrophobicContact CB-CG 4.43Å |
| 656 | T | 85.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 75.5 Ų | 75.5 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.9 | 166.1 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | L668 T669 | T656-L668 CarbonylContact O-C 3.6Å; T656-L668 WeakPolarHBondContact O-CA 3.5Å; T656-T669 PolarHBondContact N-O 2.82Å; T656-T669 PolarHBondContact O-N 3.38Å; T656-T669 PolarHBondContact OG1-O 2.88Å |
| 657 | A | 83.7 | Confident | 81 | Confident | 49 Ų | 49 | 71 Ų | 71 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | H659 V667 L668 | A657-H659 VanDerWaalsContact C-N 3.26Å; A657-H659 VanDerWaalsContact CB-O 3.24Å; A657-H659 WeakPolarHBondContact CB-O 3.4Å; A657-H659 PolarHBondContact O-N 3.36Å; A657-V667 CarbonylContact C-O 3.58Å; A657-V667 WeakPolarHBondContact CA-O 3.41Å; A657-L668 HydrophobicContact CB-CD2 3.68Å |
| 658 | S | 76.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 43% | 0.427 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -71.3 | -21.2 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | V667 | S658-V667 PolarHBondContact N-O 2.86Å; S658-V667 PolarHBondContact OG-N 3.02Å |
| 659 | H | 68.3 | Low | 81.4 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -138.1 | 159.9 | 178.7 | -64.5 | 111.5 | 0 | 0 | 0 | 109.5 | A657 T666 | A657-H659 VanDerWaalsContact C-N 3.26Å; A657-H659 VanDerWaalsContact CB-O 3.24Å; A657-H659 WeakPolarHBondContact CB-O 3.4Å; A657-H659 PolarHBondContact O-N 3.36Å; H659-T666 HydrophobicContact CB-CG2 4.34Å |
| 660 | G | 66.6 | Low | 81.6 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 85% | 0.845 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -67.6 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 661 | D | 64.6 | Low | 81.6 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -91.6 | 143 | 174.4 | -57.5 | -72.4 | 0 | 0 | 0 | 111.5 | I663 T666 | D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.73Å; D661-T666 PolarHBondContact O-OG1 3.45Å |
| 662 | L | 78 | Confident | 81.8 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | trans | -79.6 | 40.3 | -176.6 | -58.3 | 178.4 | 0 | 0 | 0 | 113.4 | T643 C644 E646 T666 L668 W692 | T643-L662 CarbonylContact C-O 3.49Å; T643-L662 VanDerWaalsContact CA-O 3.3Å; T643-L662 WeakPolarHBondContact CA-O 3.04Å; C644-L662 PolarHBondContact N-O 3.47Å; E646-L662 HydrophobicContact CB-CD1 3.92Å; E646-L662 HydrophobicContact CG-CD1 4.04Å; L662-T666 HydrophobicContact CD2-CG2 4.49Å; L662-L668 HydrophobicContact CD2-CD2 3.96Å; L662-W692 HydrophobicContact CB-CZ2 4.29Å; L662-W692 HydrophobicContact CD1-CZ2 4.37Å; L662-W692 HydrophobicContact CD2-CH2 4.31Å; L662-W692 HydrophobicContact CD2-CZ2 4.41Å | ||
| 663 | I | 76.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 161.3 | -175.5 | 56.8 | 166.5 | 0 | 0 | 0 | 113.4 | D642 T643 D661 G665 T666 | D642-I663 CarbonylContact O-C 3.6Å; D642-I663 WeakPolarHBondContact O-CA 3.24Å; T643-I663 HydrophobicContact CG2-CG2 3.91Å; D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.73Å; I663-G665 PolarHBondContact O-N 2.77Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.96Å; I663-T666 WeakPolarHBondContact O-CB 3.19Å; I663-T666 PolarHBondContact O-N 2.79Å; I663-T666 PolarHBondContact O-OG1 2.03Å |
| 664 | R | 75.8 | Confident | 81.6 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.9 | 129.8 | 170.1 | -75 | 178.3 | 165.9 | 140.6 | -4.4 | 113.1 | D642 T666 W688 L690 | D642-R664 PolarHBondContact O-N 3.07Å; D642-R664 IonicContact OD1-NH1 2.66Å; R664-T666 VanDerWaalsContact C-N 3.26Å; R664-T666 PolarHBondContact O-N 3.11Å; R664-W688 PolarHBondContact NE-O 2.85Å; R664-W688 PolarHBondContact NH2-O 3.16Å; R664-L690 HydrophobicContact CG-CD2 3.58Å |
| 665 | G | 75.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 54% | 0.536 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -4.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I663 C686 | I663-G665 PolarHBondContact O-N 2.77Å; G665-C686 PolarHBondContact N-O 2.99Å |
| 666 | T | 80.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -64.1 | 138.7 | 172 | -62 | 0 | 0 | 0 | 0 | 110.6 | H659 D661 L662 I663 R664 T685 C686 | H659-T666 HydrophobicContact CB-CG2 4.34Å; D661-T666 PolarHBondContact O-OG1 3.45Å; L662-T666 HydrophobicContact CD2-CG2 4.49Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.96Å; I663-T666 WeakPolarHBondContact O-CB 3.19Å; I663-T666 PolarHBondContact O-N 2.79Å; I663-T666 PolarHBondContact O-OG1 2.03Å; R664-T666 VanDerWaalsContact C-N 3.26Å; R664-T666 PolarHBondContact O-N 3.11Å; T666-T685 WeakPolarHBondContact O-CA 3.34Å; T666-C686 PolarHBondContact O-N 2.79Å | ||
| 667 | V | 87.3 | Confident | 81 | Confident | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.9 | -179 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | A657 S658 I683 L684 T685 | A657-V667 CarbonylContact C-O 3.58Å; A657-V667 WeakPolarHBondContact CA-O 3.41Å; S658-V667 PolarHBondContact N-O 2.86Å; S658-V667 PolarHBondContact OG-N 3.02Å; V667-I683 HydrophobicContact CG1-CG2 3.5Å; V667-L684 WeakPolarHBondContact CA-O 3.39Å; V667-T685 HydrophobicContact CG1-CG2 4.32Å; V667-T685 HydrophobicContact CG2-CG2 4.2Å |
| 668 | L | 88.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.5 | 166.2 | -68.8 | 179.2 | 0 | 0 | 0 | 109.1 | L647 T656 A657 L662 Y670 I683 L684 W692 | L647-L668 HydrophobicContact CD1-CD1 4.32Å; T656-L668 CarbonylContact O-C 3.6Å; T656-L668 WeakPolarHBondContact O-CA 3.5Å; A657-L668 HydrophobicContact CB-CD2 3.68Å; L662-L668 HydrophobicContact CD2-CD2 3.96Å; L668-Y670 HydrophobicContact CB-CD2 4.45Å; L668-Y670 HydrophobicContact CB-CE2 3.82Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; L668-I683 WeakPolarHBondContact O-CA 3.37Å; L668-L684 HydrophobicContact CB-CB 4.31Å; L668-L684 PolarHBondContact N-O 2.8Å; L668-L684 PolarHBondContact O-N 2.03Å; L668-W692 HydrophobicContact CB-CZ3 4.38Å; L668-W692 HydrophobicContact CD1-CD2 4.49Å; L668-W692 HydrophobicContact CD1-CE3 4.27Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.67Å; L668-W692 HydrophobicContact CD1-CZ3 3.77Å; L668-W692 HydrophobicContact CG-CH2 3.58Å; L668-W692 HydrophobicContact CG-CZ2 4.29Å; L668-W692 HydrophobicContact CG-CZ3 3.75Å |
| 669 | T | 88.9 | Confident | 81.9 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.7 | 173.8 | -56 | 0 | 0 | 0 | 0 | 109.6 | R655 T656 D682 I683 | R655-T669 CarbonylContact C-O 3.58Å; R655-T669 WeakPolarHBondContact CA-O 3.37Å; T656-T669 PolarHBondContact N-O 2.82Å; T656-T669 PolarHBondContact O-N 3.38Å; T656-T669 PolarHBondContact OG1-O 2.88Å; T669-D682 CarbonylContact C-O 3.57Å; T669-D682 WeakPolarHBondContact CA-O 3.32Å; T669-I683 HydrophobicContact CG2-CG1 4.47Å |
| 670 | Y | 90.8 | Very high | 82.8 | Confident | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.4 | -177 | -72.1 | -97.6 | 0 | 0 | 0 | 111 | L647 P650 R655 L668 D682 L684 P697 | L647-Y670 WeakPolarHBondContact CB-OH 3.22Å; P650-Y670 HydrophobicContact CG-CD1 4.06Å; R655-Y670 HydrophobicContact CB-CD1 3.94Å; R655-Y670 HydrophobicContact CB-CE1 3.78Å; R655-Y670 HydrophobicContact CB-CG 4.43Å; L668-Y670 HydrophobicContact CB-CD2 4.45Å; L668-Y670 HydrophobicContact CB-CE2 3.82Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; Y670-D682 PolarHBondContact N-O 3.4Å; Y670-L684 HydrophobicContact CD2-CD1 4.14Å; Y670-L684 HydrophobicContact CE2-CB 4.37Å; Y670-L684 HydrophobicContact CE2-CD1 4.03Å; Y670-L684 HydrophobicContact CE2-CD2 4.07Å; Y670-L684 HydrophobicContact CE2-CG 4.39Å; Y670-P697 HydrophobicContact CD1-CG 3.73Å; Y670-P697 HydrophobicContact CD2-CG 3.93Å; Y670-P697 HydrophobicContact CE1-CG 4.4Å; Y670-P697 HydrophobicContact CG-CG 3.47Å; Y670-P697 VanDerWaalsContact CG-CG 3.47Å |
| 671 | Q | 88.5 | Confident | 83.8 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.8 | -176.9 | -64.9 | 174.7 | 17.6 | 0 | 0 | 109.5 | G653 W654 | G653-Q671 CarbonylContact C-O 3.55Å; G653-Q671 WeakPolarHBondContact CA-O 3.05Å; W654-Q671 HydrophobicContact CD2-CB 4.13Å; W654-Q671 HydrophobicContact CH2-CB 4.27Å; W654-Q671 HydrophobicContact CZ2-CB 3.63Å; W654-Q671 HydrophobicContact CZ2-CG 4.49Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.13Å; W654-Q671 PolarHBondContact O-N 3.25Å |
| 672 | C | 90.3 | Very high | 84.9 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 157.1 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | L678 C699 | C672-L678 VanDerWaalsContact SG-CD1 3.54Å; C672-C699 WeakPolarHBondContact CA-SG 3.38Å; C672-C699 HydrophobicContact CB-CB 3.8Å; C672-C699 WeakPolarHBondContact CB-SG 3.37Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.37Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.82Å |
| 673 | E | 87.8 | Confident | 85.5 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | trans | -66.4 | 151.9 | 174.3 | -73.2 | -173.3 | 171 | 0 | 0 | 112.7 | W652 W654 G675 Y676 | W652-E673 WeakPolarHBondContact O-CB 3.47Å; W652-E673 PolarHBondContact O-N 2.91Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.13Å; E673-G675 PolarHBondContact O-N 3.02Å; E673-Y676 HydrophobicContact CB-CD2 4.44Å; E673-Y676 PolarHBondContact O-N 3.42Å | ||
| 674 | P | 82.3 | Confident | 86 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 71% | 0.708 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 115.9 | -179.6 | -26 | 35.3 | 0 | 0 | 0 | 112.5 | G753 | P674-G753 VanDerWaalsContact O-CA 3.24Å; P674-G753 WeakPolarHBondContact O-CA 3.36Å; P674-G753 PolarHBondContact O-N 2.9Å |
| 675 | G | 76.6 | Confident | 86.6 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.3 | -5.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E673 I702 | E673-G675 PolarHBondContact O-N 3.02Å; G675-I702 WeakPolarHBondContact O-CB 3.17Å; G675-I702 PolarHBondContact O-N 3.33Å |
| 676 | Y | 86 | Confident | 87.1 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.4 | 173.2 | -66.3 | -111.3 | 0 | 0 | 0 | 110.6 | W652 E673 C699 Q700 K701 | W652-Y676 HydrophobicContact CB-CD1 3.73Å; W652-Y676 HydrophobicContact CB-CD2 4.14Å; W652-Y676 HydrophobicContact CB-CE1 3.56Å; W652-Y676 HydrophobicContact CB-CE2 4.02Å; W652-Y676 HydrophobicContact CB-CG 4.04Å; W652-Y676 AromaticContact CD1-CE1 3.62Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 HydrophobicContact CD2-CE2 4.46Å; W652-Y676 AromaticContact CD2-CZ 3.83Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE1 3.48Å; W652-Y676 VanDerWaalsContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE2 4.22Å; W652-Y676 AromaticContact CG-CZ 3.52Å; E673-Y676 HydrophobicContact CB-CD2 4.44Å; E673-Y676 PolarHBondContact O-N 3.42Å; Y676-C699 HydrophobicContact CD1-CB 4.27Å; Y676-Q700 CarbonylContact C-O 3.48Å; Y676-Q700 WeakPolarHBondContact CA-O 3.43Å; Y676-K701 HydrophobicContact CD1-CB 4.01Å; Y676-K701 HydrophobicContact CE1-CB 3.79Å; Y676-K701 HydrophobicContact CE1-CG 4.49Å |
| 677 | E | 87.4 | Confident | 87 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147.6 | 172.9 | 60.7 | -173.5 | -177 | 0 | 0 | 110.9 | C699 Q700 I702 | E677-C699 CarbonylContact O-C 3.59Å; E677-C699 WeakPolarHBondContact O-CA 3.21Å; E677-Q700 PolarHBondContact N-O 2.88Å; E677-Q700 PolarHBondContact O-N 2.96Å; E677-I702 HydrophobicContact CB-CD1 4.01Å; E677-I702 HydrophobicContact CB-CG1 3.79Å; E677-I702 HydrophobicContact CG-CG1 3.84Å |
| 678 | L | 88.9 | Confident | 86.1 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.9 | -177.7 | -169.5 | 94.1 | 0 | 0 | 0 | 110.6 | C672 D682 P697 | C672-L678 VanDerWaalsContact SG-CD1 3.54Å; L678-D682 HydrophobicContact CD2-CB 3.66Å; L678-P697 HydrophobicContact CD1-CB 3.77Å; L678-P697 HydrophobicContact CD1-CG 3.77Å; L678-P697 HydrophobicContact CD2-CB 4.06Å; L678-P697 HydrophobicContact CD2-CG 4.29Å; L678-P697 HydrophobicContact CG-CB 3.84Å; L678-P697 HydrophobicContact CG-CG 4.27Å |
| 679 | L | 90.7 | Very high | 85.6 | Confident | 86 Ų | 86 | 63 Ų | 63 | 45% | 0.45 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 108.1 | 171.5 | -58.1 | -176.6 | 0 | 0 | 0 | 110 | P697 A698 Q700 | L679-P697 VanDerWaalsContact O-CA 3.27Å; L679-P697 WeakPolarHBondContact O-CA 3.39Å; L679-P697 VanDerWaalsContact O-CB 3.3Å; L679-P697 WeakPolarHBondContact O-CB 3.45Å; L679-A698 PolarHBondContact N-O 3.02Å; L679-A698 PolarHBondContact O-N 3.11Å; L679-Q700 HydrophobicContact CD1-CB 3.76Å; L679-Q700 HydrophobicContact CG-CB 4.13Å |
| 680 | G | 87.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 63 Ų | 63 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 128.3 | -161.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 681 | S | 87.9 | Confident | 84.5 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -78.9 | 128.3 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | I683 L684 P697 | S681-I683 VanDerWaalsContact C-N 3.28Å; S681-L684 WeakPolarHBondContact O-CD1 3.3Å; S681-P697 WeakPolarHBondContact O-CG 3.34Å | ||
| 682 | D | 86.8 | Confident | 84.5 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -69.4 | -28.1 | 171.2 | 64.4 | -31.8 | 0 | 0 | 0 | 112.4 | T669 Y670 L678 | T669-D682 CarbonylContact C-O 3.57Å; T669-D682 WeakPolarHBondContact CA-O 3.32Å; Y670-D682 PolarHBondContact N-O 3.4Å; L678-D682 HydrophobicContact CD2-CB 3.66Å |
| 683 | I | 89.9 | Confident | 84.4 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.4 | -179.8 | -64.9 | 167.1 | 0 | 0 | 0 | 110.5 | V667 L668 T669 S681 T685 | V667-I683 HydrophobicContact CG1-CG2 3.5Å; L668-I683 WeakPolarHBondContact O-CA 3.37Å; T669-I683 HydrophobicContact CG2-CG1 4.47Å; S681-I683 VanDerWaalsContact C-N 3.28Å; I683-T685 HydrophobicContact CG2-CG2 4.31Å |
| 684 | L | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.6 | 172 | -86.1 | 67.7 | 0 | 0 | 0 | 109.4 | L647 V667 L668 Y670 S681 W692 A694 | L647-L684 HydrophobicContact CD1-CD2 3.52Å; V667-L684 WeakPolarHBondContact CA-O 3.39Å; L668-L684 HydrophobicContact CB-CB 4.31Å; L668-L684 PolarHBondContact N-O 2.8Å; L668-L684 PolarHBondContact O-N 2.03Å; Y670-L684 HydrophobicContact CD2-CD1 4.14Å; Y670-L684 HydrophobicContact CE2-CB 4.37Å; Y670-L684 HydrophobicContact CE2-CD1 4.03Å; Y670-L684 HydrophobicContact CE2-CD2 4.07Å; Y670-L684 HydrophobicContact CE2-CG 4.39Å; S681-L684 WeakPolarHBondContact O-CD1 3.3Å; L684-W692 HydrophobicContact CB-CE3 4.02Å; L684-W692 HydrophobicContact CD2-CB 4.39Å; L684-A694 HydrophobicContact CD1-CB 4.38Å; L684-A694 VanDerWaalsContact CD2-O 3.32Å; L684-A694 WeakPolarHBondContact CD2-O 3.27Å; L684-A694 HydrophobicContact CG-CB 4.24Å |
| 685 | T | 87.6 | Confident | 84.6 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.1 | 178.7 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | T666 V667 I683 Q687 W692 S693 | T666-T685 WeakPolarHBondContact O-CA 3.34Å; V667-T685 HydrophobicContact CG1-CG2 4.32Å; V667-T685 HydrophobicContact CG2-CG2 4.2Å; I683-T685 HydrophobicContact CG2-CG2 4.31Å; T685-Q687 PolarHBondContact O-N 3.24Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; T685-S693 PolarHBondContact N-OG 2.83Å; T685-S693 PolarHBondContact O-N 3.16Å; T685-S693 WeakPolarHBondContact OG1-CB 3.24Å |
| 686 | C | 85.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 113.7 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | C644 G665 T666 W692 | C644-C686 HydrophobicContact CB-CB 3.85Å; C644-C686 WeakPolarHBondContact CB-SG 3.31Å; C644-C686 WeakPolarHBondContact SG-CA 3.37Å; C644-C686 WeakPolarHBondContact SG-CB 3.44Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 2.95Å; G665-C686 PolarHBondContact N-O 2.99Å; T666-C686 PolarHBondContact O-N 2.79Å; C686-W692 HydrophobicContact CB-CE3 4.21Å; C686-W692 HydrophobicContact CB-CH2 3.94Å; C686-W692 HydrophobicContact CB-CZ3 3.77Å |
| 687 | Q | 79.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | trans | -85.3 | 172.3 | -170.9 | -62.6 | -169.7 | 111.4 | 0 | 0 | 112.8 | T685 D689 L690 S691 | T685-Q687 PolarHBondContact O-N 3.24Å; Q687-D689 VanDerWaalsContact C-N 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.32Å; Q687-D689 PolarHBondContact O-N 2.86Å; Q687-L690 PolarHBondContact O-N 2.93Å; Q687-L690 VanDerWaalsContact O-N 3.1Å; Q687-S691 WeakPolarHBondContact CB-O 3.39Å; Q687-S691 PolarHBondContact N-O 3.14Å; Q687-S691 PolarHBondContact NE2-OG 3.34Å | ||
| 688 | W | 68 | Low | 85.6 | Confident | 206 Ų | 206 | 58.8 Ų | 58.8 | 78% | 0.78 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.7 | -175.4 | 42 | -93.5 | 0 | 0 | 0 | 113.7 | R664 L690 | R664-W688 PolarHBondContact NE-O 2.85Å; R664-W688 PolarHBondContact NH2-O 3.16Å; W688-L690 VanDerWaalsContact C-N 3.28Å |
| 689 | D | 76.9 | Confident | 85.7 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.7 | 172.1 | 66.9 | -21.8 | 0 | 0 | 0 | 113.9 | Q687 S691 | Q687-D689 VanDerWaalsContact C-N 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.32Å; Q687-D689 PolarHBondContact O-N 2.86Å; D689-S691 VanDerWaalsContact C-N 3.33Å; D689-S691 PolarHBondContact OD1-N 3.15Å; D689-S691 PolarHBondContact OD1-OG 3.33Å; D689-S691 VanDerWaalsContact OD2-CB 3.29Å; D689-S691 WeakPolarHBondContact OD2-CB 3.29Å; D689-S691 PolarHBondContact OD2-OG 2.95Å |
| 690 | L | 74.3 | Confident | 85.6 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 69.4 | 21.1 | -172.4 | -49.1 | 177.2 | 0 | 0 | 0 | 114.9 | N641 D642 C644 P645 R664 Q687 W688 | N641-L690 WeakPolarHBondContact O-CD1 3.2Å; D642-L690 WeakPolarHBondContact O-CD2 3.3Å; C644-L690 PolarHBondContact SG-O 2.73Å; C644-L690 VanDerWaalsContact SG-O 3.4Å; P645-L690 WeakPolarHBondContact CD-O 3.37Å; R664-L690 HydrophobicContact CG-CD2 3.58Å; Q687-L690 PolarHBondContact O-N 2.93Å; Q687-L690 VanDerWaalsContact O-N 3.1Å; W688-L690 VanDerWaalsContact C-N 3.28Å |
| 691 | S | 83.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | trans | -94.1 | 165.2 | 166.7 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | C644 Q687 D689 | C644-S691 PolarHBondContact SG-O 3.36Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; Q687-S691 WeakPolarHBondContact CB-O 3.39Å; Q687-S691 PolarHBondContact N-O 3.14Å; Q687-S691 PolarHBondContact NE2-OG 3.34Å; D689-S691 VanDerWaalsContact C-N 3.33Å; D689-S691 PolarHBondContact OD1-N 3.15Å; D689-S691 PolarHBondContact OD1-OG 3.33Å; D689-S691 VanDerWaalsContact OD2-CB 3.29Å; D689-S691 WeakPolarHBondContact OD2-CB 3.29Å; D689-S691 PolarHBondContact OD2-OG 2.95Å | ||
| 692 | W | 87.9 | Confident | 85.4 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -88.8 | 144.1 | 168.1 | -68.8 | 103.1 | 0 | 0 | 0 | 110.9 | C644 P645 L647 L662 L668 L684 T685 C686 A694 | C644-W692 HydrophobicContact CB-CD2 4.22Å; C644-W692 HydrophobicContact CB-CH2 4.28Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å; P645-W692 PolarHBondContact O-NE1 2.6Å; L647-W692 HydrophobicContact CD1-CB 4.43Å; L647-W692 HydrophobicContact CD1-CD2 4.02Å; L647-W692 HydrophobicContact CD1-CG 3.76Å; L647-W692 HydrophobicContact CG-CG 4.42Å; L662-W692 HydrophobicContact CB-CZ2 4.29Å; L662-W692 HydrophobicContact CD1-CZ2 4.37Å; L662-W692 HydrophobicContact CD2-CH2 4.31Å; L662-W692 HydrophobicContact CD2-CZ2 4.41Å; L668-W692 HydrophobicContact CB-CZ3 4.38Å; L668-W692 HydrophobicContact CD1-CD2 4.49Å; L668-W692 HydrophobicContact CD1-CE3 4.27Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.67Å; L668-W692 HydrophobicContact CD1-CZ3 3.77Å; L668-W692 HydrophobicContact CG-CH2 3.58Å; L668-W692 HydrophobicContact CG-CZ2 4.29Å; L668-W692 HydrophobicContact CG-CZ3 3.75Å; L684-W692 HydrophobicContact CB-CE3 4.02Å; L684-W692 HydrophobicContact CD2-CB 4.39Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; C686-W692 HydrophobicContact CB-CE3 4.21Å; C686-W692 HydrophobicContact CB-CH2 3.94Å; C686-W692 HydrophobicContact CB-CZ3 3.77Å; W692-A694 PolarHBondContact O-N 2.9Å; W692-A694 VanDerWaalsContact O-N 3.09Å |
| 693 | S | 88.7 | Confident | 85.2 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -60.2 | -18.2 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 115.4 | T685 | T685-S693 PolarHBondContact N-OG 2.83Å; T685-S693 PolarHBondContact O-N 3.16Å; T685-S693 WeakPolarHBondContact OG1-CB 3.24Å |
| 694 | A | 87.1 | Confident | 85 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -154.9 | 167.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L684 W692 | L684-A694 HydrophobicContact CD1-CB 4.38Å; L684-A694 VanDerWaalsContact CD2-O 3.32Å; L684-A694 WeakPolarHBondContact CD2-O 3.27Å; L684-A694 HydrophobicContact CG-CB 4.24Å; W692-A694 PolarHBondContact O-N 2.9Å; W692-A694 VanDerWaalsContact O-N 3.09Å |
| 695 | A | 87.1 | Confident | 84.9 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 152.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 696 | P | 87.6 | Confident | 84.8 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 138.6 | 177.2 | 25.1 | -34.1 | 0 | 0 | 0 | 111.5 | L647 | L647-P696 HydrophobicContact CD1-CB 4.36Å; L647-P696 HydrophobicContact CD2-CG 4.36Å |
| 697 | P | 91.3 | Very high | 84.9 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 7% | 0.065 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -77 | 163.5 | 178.9 | 33.9 | -38.1 | 0 | 0 | 0 | 112.5 | Y670 L678 L679 S681 | Y670-P697 HydrophobicContact CD1-CG 3.73Å; Y670-P697 HydrophobicContact CD2-CG 3.93Å; Y670-P697 HydrophobicContact CE1-CG 4.4Å; Y670-P697 HydrophobicContact CG-CG 3.47Å; Y670-P697 VanDerWaalsContact CG-CG 3.47Å; L678-P697 HydrophobicContact CD1-CB 3.77Å; L678-P697 HydrophobicContact CD1-CG 3.77Å; L678-P697 HydrophobicContact CD2-CB 4.06Å; L678-P697 HydrophobicContact CD2-CG 4.29Å; L678-P697 HydrophobicContact CG-CB 3.84Å; L678-P697 HydrophobicContact CG-CG 4.27Å; L679-P697 VanDerWaalsContact O-CA 3.27Å; L679-P697 WeakPolarHBondContact O-CA 3.39Å; L679-P697 VanDerWaalsContact O-CB 3.3Å; L679-P697 WeakPolarHBondContact O-CB 3.45Å; S681-P697 WeakPolarHBondContact O-CG 3.34Å |
| 698 | A | 91 | Very high | 85.1 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L679 | L679-A698 PolarHBondContact N-O 3.02Å; L679-A698 PolarHBondContact O-N 3.11Å |
| 699 | C | 92.3 | Very high | 85.9 | Confident | 19 Ų | 19 | 53 Ų | 53 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.1 | 177.3 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | E651 C672 Y676 E677 | E651-C699 WeakPolarHBondContact O-CB 3.34Å; C672-C699 WeakPolarHBondContact CA-SG 3.38Å; C672-C699 HydrophobicContact CB-CB 3.8Å; C672-C699 WeakPolarHBondContact CB-SG 3.37Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.37Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.82Å; Y676-C699 HydrophobicContact CD1-CB 4.27Å; E677-C699 CarbonylContact O-C 3.59Å; E677-C699 WeakPolarHBondContact O-CA 3.21Å |
| 700 | Q | 88.4 | Confident | 86.4 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.5 | 175.2 | -176.3 | 168.1 | 31.8 | 0 | 0 | 110.9 | Y676 E677 L679 I702 | Y676-Q700 CarbonylContact C-O 3.48Å; Y676-Q700 WeakPolarHBondContact CA-O 3.43Å; E677-Q700 PolarHBondContact N-O 2.88Å; E677-Q700 PolarHBondContact O-N 2.96Å; L679-Q700 HydrophobicContact CD1-CB 3.76Å; L679-Q700 HydrophobicContact CG-CB 4.13Å; Q700-I702 PolarHBondContact O-N 3.39Å |
| 701 | K | 84.4 | Confident | 87.1 | Confident | 84 Ų | 84 | 55 Ų | 55 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.6 | 176.2 | -172.9 | 165.9 | -176 | 161.6 | 0 | 110.9 | Y676 M703 | Y676-K701 HydrophobicContact CD1-CB 4.01Å; Y676-K701 HydrophobicContact CE1-CB 3.79Å; Y676-K701 HydrophobicContact CE1-CG 4.49Å; K701-M703 HydrophobicContact CD-SD 4.3Å; K701-M703 HydrophobicContact CG-SD 4.14Å; K701-M703 PolarHBondContact O-N 2.04Å |
| 702 | I | 85.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 117.4 | 178.7 | -61.1 | 163.2 | 0 | 0 | 0 | 108.8 | G675 E677 Q700 T754 P755 | G675-I702 WeakPolarHBondContact O-CB 3.17Å; G675-I702 PolarHBondContact O-N 3.33Å; E677-I702 HydrophobicContact CB-CD1 4.01Å; E677-I702 HydrophobicContact CB-CG1 3.79Å; E677-I702 HydrophobicContact CG-CG1 3.84Å; Q700-I702 PolarHBondContact O-N 3.39Å; I702-T754 HydrophobicContact CD1-CG2 3.7Å; I702-P755 VanDerWaalsContact O-CD 3.24Å; I702-P755 WeakPolarHBondContact O-CD 3.01Å; I702-P755 WeakPolarHBondContact O-CG 3.33Å |
| 703 | M | 82.8 | Confident | 87.1 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | trans | -112.6 | 12.4 | -175.9 | -65.7 | -60.7 | -66.2 | 0 | 0 | 113.8 | K701 P724 V725 | K701-M703 HydrophobicContact CD-SD 4.3Å; K701-M703 HydrophobicContact CG-SD 4.14Å; K701-M703 PolarHBondContact O-N 2.04Å; M703-P724 WeakPolarHBondContact O-CA 3.38Å; M703-V725 PolarHBondContact O-N 2.76Å | ||
| 704 | T | 86.9 | Confident | 87 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -123.9 | 153.7 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | G722 F723 | T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.44Å; T704-F723 CarbonylContact C-O 3.57Å; T704-F723 WeakPolarHBondContact CA-O 3.46Å |
| 705 | C | 86.5 | Confident | 87.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 143.4 | 168 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | F723 C747 K756 W757 | C705-F723 HydrophobicContact CB-CB 4.46Å; C705-F723 PolarHBondContact N-O 3.36Å; C705-F723 WeakPolarHBondContact O-CB 3.06Å; C705-C747 HydrophobicContact CB-CB 3.86Å; C705-C747 WeakPolarHBondContact CB-SG 3.05Å; C705-C747 VanDerWaalsContact SG-CA 3.52Å; C705-C747 WeakPolarHBondContact SG-CB 3.39Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 2.87Å; C705-K756 VanDerWaalsContact SG-C 3.54Å; C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.62Å |
| 706 | A | 85.5 | Confident | 87.2 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 148.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P708 W757 | A706-P708 WeakPolarHBondContact O-CD 3.4Å; A706-W757 PolarHBondContact O-NE1 2.81Å |
| 707 | D | 87.5 | Confident | 87.3 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 120.4 | -178.2 | -174.3 | -2.9 | 0 | 0 | 0 | 111.3 | G709 R716 F723 | D707-G709 PolarHBondContact O-N 3.49Å; D707-G709 PolarHBondContact OD1-N 2.93Å; D707-R716 IonicContact OD1-CZ 2.95Å; D707-R716 IonicContact OD1-NH1 2.9Å; D707-R716 PolarHBondContact OD1-NH1 3.19Å; D707-R716 IonicContact OD2-CZ 3.25Å; D707-R716 IonicContact OD2-NH1 3.55Å; D707-R716 PolarHBondContact OD2-NH1 3.04Å; D707-R716 IonicContact OD2-NH2 3.01Å; D707-F723 HydrophobicContact CB-CD2 4.39Å; D707-F723 HydrophobicContact CB-CE2 3.7Å; D707-F723 HydrophobicContact CB-CZ 4.42Å |
| 708 | P | 84.7 | Confident | 87.2 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | trans | -71.5 | -7.5 | 176.3 | 30 | -34.3 | 0 | 0 | 0 | 113.4 | A706 V729 Y731 L745 W757 V761 | A706-P708 WeakPolarHBondContact O-CD 3.4Å; P708-V729 HydrophobicContact CG-CB 4.42Å; P708-V729 HydrophobicContact CG-CG1 4.46Å; P708-V729 HydrophobicContact CG-CG2 4.06Å; P708-Y731 WeakPolarHBondContact CG-OH 3.45Å; P708-L745 HydrophobicContact CB-CD1 4.05Å; P708-W757 HydrophobicContact CG-CD2 4.37Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; P708-V761 HydrophobicContact CB-CG2 4.21Å; P708-V761 WeakPolarHBondContact O-CG2 3.49Å | ||
| 709 | G | 84.8 | Confident | 87 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | 76.9 | -167.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D707 R716 Y731 | D707-G709 PolarHBondContact O-N 3.49Å; D707-G709 PolarHBondContact OD1-N 2.93Å; G709-R716 WeakPolarHBondContact O-CD 3.5Å; G709-Y731 PolarHBondContact O-OH 3.38Å | ||
| 710 | E | 86.3 | Confident | 86.7 | Confident | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | trans | -109.9 | 152.6 | -174.2 | -71.8 | 179.6 | -167.5 | 0 | 0 | 112.4 | R716 | E710-R716 HydrophobicContact CG-CG 4.05Å; E710-R716 IonicContact OE1-CZ 2.99Å; E710-R716 VanDerWaalsContact OE1-CZ 3.23Å; E710-R716 IonicContact OE1-NE 3.33Å; E710-R716 PolarHBondContact OE1-NE 3.25Å; E710-R716 IonicContact OE1-NH2 3.67Å; E710-R716 PolarHBondContact OE1-NH2 2.92Å | ||
| 711 | I | 88.6 | Confident | 86.1 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 39% | 0.391 | C | S | . | . | trans | -109.1 | 134.1 | -177.8 | 64 | 175.6 | 0 | 0 | 0 | 110.8 | N713 G714 Y731 V761 P762 C764 | I711-N713 PolarHBondContact O-N 3.49Å; I711-G714 PolarHBondContact O-N 3.33Å; I711-Y731 HydrophobicContact CB-CD1 4.45Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.84Å; I711-Y731 HydrophobicContact CG1-CE1 4.4Å; I711-Y731 HydrophobicContact CG2-CD1 3.82Å; I711-Y731 HydrophobicContact CG2-CE1 3.78Å; I711-V761 HydrophobicContact CG2-CG1 3.56Å; I711-P762 VanDerWaalsContact CG2-O 3.26Å; I711-P762 WeakPolarHBondContact CG2-O 3.38Å; I711-C764 VanDerWaalsContact CD1-SG 3.58Å | ||
| 712 | A | 85.8 | Confident | 85.7 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 138.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | G714 C764 | A712-G714 VanDerWaalsContact C-N 3.26Å; A712-G714 PolarHBondContact O-N 3.28Å; A712-C764 WeakPolarHBondContact O-CB 3.48Å |
| 713 | N | 87.1 | Confident | 85.8 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 30.2 | -179 | -51.2 | -51 | 0 | 0 | 0 | 115.1 | I711 L734 Y737 C764 | I711-N713 PolarHBondContact O-N 3.49Å; N713-L734 WeakPolarHBondContact O-CB 3.35Å; N713-L734 WeakPolarHBondContact O-CG 3.4Å; N713-L734 PolarHBondContact O-N 3.11Å; N713-Y737 HydrophobicContact CB-CD1 3.65Å; N713-Y737 HydrophobicContact CB-CD2 4.07Å; N713-Y737 HydrophobicContact CB-CE1 3.52Å; N713-Y737 HydrophobicContact CB-CE2 3.98Å; N713-Y737 HydrophobicContact CB-CG 3.94Å; N713-Y737 VanDerWaalsContact CG-CE1 3.45Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.43Å; N713-C764 HydrophobicContact CB-CB 4.16Å; N713-C764 PolarHBondContact O-SG 3.09Å |
| 714 | G | 87.1 | Confident | 86 | Confident | 21 Ų | 21 | 60 Ų | 60 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | -175.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I711 A712 R732 | I711-G714 PolarHBondContact O-N 3.33Å; A712-G714 VanDerWaalsContact C-N 3.26Å; A712-G714 PolarHBondContact O-N 3.28Å; G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.46Å |
| 715 | H | 88.5 | Confident | 85.9 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.8 | 170.4 | 59.7 | -78.3 | 0 | 0 | 0 | 110.5 | R732 | H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.42Å; H715-R732 PolarHBondContact N-O 2.6Å; H715-R732 PolarHBondContact ND1-O 2.76Å; H715-R732 PolarHBondContact O-N 2.91Å |
| 716 | R | 89.3 | Confident | 85.8 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 156.6 | 173.1 | 66.8 | 174.4 | 171.9 | 172 | -7.1 | 111.3 | D707 G709 E710 V729 Q730 Y731 | D707-R716 IonicContact OD1-CZ 2.95Å; D707-R716 IonicContact OD1-NH1 2.9Å; D707-R716 PolarHBondContact OD1-NH1 3.19Å; D707-R716 IonicContact OD2-CZ 3.25Å; D707-R716 IonicContact OD2-NH1 3.55Å; D707-R716 PolarHBondContact OD2-NH1 3.04Å; D707-R716 IonicContact OD2-NH2 3.01Å; G709-R716 WeakPolarHBondContact O-CD 3.5Å; E710-R716 HydrophobicContact CG-CG 4.05Å; E710-R716 IonicContact OE1-CZ 2.99Å; E710-R716 VanDerWaalsContact OE1-CZ 3.23Å; E710-R716 IonicContact OE1-NE 3.33Å; E710-R716 PolarHBondContact OE1-NE 3.25Å; E710-R716 IonicContact OE1-NH2 3.67Å; E710-R716 PolarHBondContact OE1-NH2 2.92Å; R716-V729 HydrophobicContact CB-CG1 4.26Å; R716-Q730 CarbonylContact C-O 3.54Å; R716-Q730 VanDerWaalsContact CA-O 3.32Å; R716-Q730 WeakPolarHBondContact CA-O 3.37Å; R716-Y731 HydrophobicContact CB-CD1 3.88Å; R716-Y731 HydrophobicContact CB-CE1 3.65Å |
| 717 | T | 89.8 | Confident | 86 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 112.9 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 108 | Q730 | T717-Q730 PolarHBondContact N-O 3.47Å; T717-Q730 PolarHBondContact O-N 3.13Å |
| 718 | A | 88.1 | Confident | 86.1 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 151.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | F723 V729 | A718-F723 HydrophobicContact CB-CE1 3.83Å; A718-V729 HydrophobicContact CB-CG2 4.11Å |
| 719 | S | 87.4 | Confident | 86.4 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -72 | -41 | 170.9 | 57 | 0 | 0 | 0 | 0 | 112.5 | S727 H728 | S719-S727 WeakPolarHBondContact OG-CA 3.41Å; S719-H728 PolarHBondContact N-O 3.09Å; S719-H728 PolarHBondContact OG-N 3.47Å; S719-H728 PolarHBondContact OG-O 3.38Å |
| 720 | D | 85.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | trans | -137.5 | 145.8 | -169.7 | -48.6 | -84.8 | 0 | 0 | 0 | 111.2 | G722 S727 | D720-G722 VanDerWaalsContact C-N 3.3Å; D720-G722 PolarHBondContact O-N 3.47Å; D720-S727 WeakPolarHBondContact CB-OG 3.46Å; D720-S727 VanDerWaalsContact CG-OG 3.28Å; D720-S727 WeakPolarHBondContact OD2-CB 3.24Å; D720-S727 PolarHBondContact OD2-OG 3.47Å | ||
| 721 | A | 76.1 | Confident | 87 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 92% | 0.917 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 722 | G | 75.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 7.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T704 D720 | T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.44Å; D720-G722 VanDerWaalsContact C-N 3.3Å; D720-G722 PolarHBondContact O-N 3.47Å |
| 723 | F | 88.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | trans | 43.7 | 47.9 | 179.3 | -45.7 | -67.1 | 0 | 0 | 0 | 117 | T704 C705 D707 A718 V729 W757 | T704-F723 CarbonylContact C-O 3.57Å; T704-F723 WeakPolarHBondContact CA-O 3.46Å; C705-F723 HydrophobicContact CB-CB 4.46Å; C705-F723 PolarHBondContact N-O 3.36Å; C705-F723 WeakPolarHBondContact O-CB 3.06Å; D707-F723 HydrophobicContact CB-CD2 4.39Å; D707-F723 HydrophobicContact CB-CE2 3.7Å; D707-F723 HydrophobicContact CB-CZ 4.42Å; A718-F723 HydrophobicContact CB-CE1 3.83Å; F723-V729 HydrophobicContact CD1-CG2 3.96Å; F723-V729 HydrophobicContact CE1-CG2 3.67Å; F723-W757 HydrophobicContact CB-CH2 4.01Å; F723-W757 HydrophobicContact CB-CZ2 3.81Å; F723-W757 AromaticContact CD1-CH2 3.75Å; F723-W757 HydrophobicContact CD1-CH2 3.75Å; F723-W757 AromaticContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CG-CH2 4.13Å; F723-W757 AromaticContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CG-CZ2 3.85Å | ||
| 724 | P | 86.8 | Confident | 87.2 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 162 | 169.4 | 26.4 | -35.6 | 0 | 0 | 0 | 112.7 | M703 G726 S727 | M703-P724 WeakPolarHBondContact O-CA 3.38Å; P724-G726 PolarHBondContact O-N 3.48Å; P724-S727 WeakPolarHBondContact CD-OG 3.5Å; P724-S727 WeakPolarHBondContact CG-OG 3.48Å; P724-S727 VanDerWaalsContact O-CB 3.24Å; P724-S727 WeakPolarHBondContact O-CB 3.48Å; P724-S727 PolarHBondContact O-N 3.48Å; P724-S727 PolarHBondContact O-OG 3.08Å |
| 725 | V | 85.4 | Confident | 87 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 126.3 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | M703 P755 | M703-V725 PolarHBondContact O-N 2.76Å; V725-P755 HydrophobicContact CG2-CB 3.97Å; V725-P755 HydrophobicContact CG2-CG 4.01Å |
| 726 | G | 84.1 | Confident | 86.2 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -20 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | P724 C747 | P724-G726 PolarHBondContact O-N 3.48Å; G726-C747 PolarHBondContact N-O 2.77Å |
| 727 | S | 88.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | trans | -64.3 | 153.2 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | S719 D720 P724 C747 | S719-S727 WeakPolarHBondContact OG-CA 3.41Å; D720-S727 WeakPolarHBondContact CB-OG 3.46Å; D720-S727 VanDerWaalsContact CG-OG 3.28Å; D720-S727 WeakPolarHBondContact OD2-CB 3.24Å; D720-S727 PolarHBondContact OD2-OG 3.47Å; P724-S727 WeakPolarHBondContact CD-OG 3.5Å; P724-S727 WeakPolarHBondContact CG-OG 3.48Å; P724-S727 VanDerWaalsContact O-CB 3.24Å; P724-S727 WeakPolarHBondContact O-CB 3.48Å; P724-S727 PolarHBondContact O-N 3.48Å; P724-S727 PolarHBondContact O-OG 3.08Å; S727-C747 PolarHBondContact O-N 2.94Å | ||
| 728 | H | 90.8 | Very high | 85.5 | Confident | 87 Ų | 87 | 57 Ų | 57 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.3 | -177.6 | 55.6 | -86.9 | 0 | 0 | 0 | 113 | S719 M744 L745 T746 | S719-H728 PolarHBondContact N-O 3.09Å; S719-H728 PolarHBondContact OG-N 3.47Å; S719-H728 PolarHBondContact OG-O 3.38Å; H728-M744 HydrophobicContact CB-CE 3.75Å; H728-M744 HydrophobicContact CB-SD 4.08Å; H728-L745 CarbonylContact C-O 3.59Å; H728-L745 WeakPolarHBondContact CA-O 3.29Å; H728-T746 HydrophobicContact CB-CG2 3.89Å |
| 729 | V | 90.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.5 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | P708 R716 A718 F723 Y731 M744 L745 W757 | P708-V729 HydrophobicContact CG-CB 4.42Å; P708-V729 HydrophobicContact CG-CG1 4.46Å; P708-V729 HydrophobicContact CG-CG2 4.06Å; R716-V729 HydrophobicContact CB-CG1 4.26Å; A718-V729 HydrophobicContact CB-CG2 4.11Å; F723-V729 HydrophobicContact CD1-CG2 3.96Å; F723-V729 HydrophobicContact CE1-CG2 3.67Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.36Å; V729-Y731 HydrophobicContact CG1-CE1 4.44Å; V729-Y731 HydrophobicContact CG1-CE2 3.69Å; V729-M744 WeakPolarHBondContact O-CE 3.25Å; V729-L745 PolarHBondContact N-O 2.94Å; V729-L745 PolarHBondContact O-N 3.28Å; V729-W757 HydrophobicContact CG2-CH2 3.68Å; V729-W757 HydrophobicContact CG2-CZ2 4.32Å; V729-W757 HydrophobicContact CG2-CZ3 4.02Å |
| 730 | Q | 91.7 | Very high | 85.4 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.5 | 178.1 | -162.7 | 172.5 | 78 | 0 | 0 | 110.8 | R716 T717 R732 A743 M744 | R716-Q730 CarbonylContact C-O 3.54Å; R716-Q730 VanDerWaalsContact CA-O 3.32Å; R716-Q730 WeakPolarHBondContact CA-O 3.37Å; T717-Q730 PolarHBondContact N-O 3.47Å; T717-Q730 PolarHBondContact O-N 3.13Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.23Å; Q730-A743 WeakPolarHBondContact CA-O 3.19Å; Q730-A743 WeakPolarHBondContact CG-O 3.35Å; Q730-M744 VanDerWaalsContact CA-CE 3.48Å; Q730-M744 HydrophobicContact CB-CE 3.57Å; Q730-M744 HydrophobicContact CG-CE 4.22Å; Q730-M744 VanDerWaalsContact N-CE 3.26Å |
| 731 | Y | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.5 | 178.9 | -71.8 | -78.9 | 0 | 0 | 0 | 110.6 | P708 G709 I711 R716 V729 L739 A743 L745 P762 | P708-Y731 WeakPolarHBondContact CG-OH 3.45Å; G709-Y731 PolarHBondContact O-OH 3.38Å; I711-Y731 HydrophobicContact CB-CD1 4.45Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.84Å; I711-Y731 HydrophobicContact CG1-CE1 4.4Å; I711-Y731 HydrophobicContact CG2-CD1 3.82Å; I711-Y731 HydrophobicContact CG2-CE1 3.78Å; R716-Y731 HydrophobicContact CB-CD1 3.88Å; R716-Y731 HydrophobicContact CB-CE1 3.65Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.36Å; V729-Y731 HydrophobicContact CG1-CE1 4.44Å; V729-Y731 HydrophobicContact CG1-CE2 3.69Å; Y731-L739 WeakPolarHBondContact O-CD1 3.39Å; Y731-A743 PolarHBondContact N-O 2.94Å; Y731-L745 HydrophobicContact CD2-CG 4.47Å; Y731-L745 HydrophobicContact CE2-CD1 3.86Å; Y731-L745 HydrophobicContact CE2-CG 4.07Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.72Å; Y731-P762 HydrophobicContact CE2-CG 4.46Å; Y731-P762 HydrophobicContact CG-CG 3.7Å |
| 732 | R | 90.1 | Very high | 86 | Confident | 130 Ų | 130 | 55.8 Ų | 55.8 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 125.6 | -178.5 | -63.5 | 179.8 | -172.7 | 173.3 | 2.9 | 110.3 | G714 H715 Q730 | G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.46Å; H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.42Å; H715-R732 PolarHBondContact N-O 2.6Å; H715-R732 PolarHBondContact ND1-O 2.76Å; H715-R732 PolarHBondContact O-N 2.91Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.23Å |
| 733 | C | 89.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 157.5 | 179.7 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | L739 C764 | C733-L739 VanDerWaalsContact SG-CA 3.56Å; C733-L739 VanDerWaalsContact SG-CB 3.59Å; C733-C764 WeakPolarHBondContact CA-SG 3.36Å; C733-C764 HydrophobicContact CB-CB 3.83Å; C733-C764 WeakPolarHBondContact CB-SG 3.33Å; C733-C764 WeakPolarHBondContact SG-CA 3.46Å; C733-C764 WeakPolarHBondContact SG-CB 3.06Å; C733-C764 CovalentContact SG-SG 2.03Å; C733-C764 PolarHBondContact SG-SG 2.92Å |
| 734 | L | 86.5 | Confident | 86.7 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 157.5 | 170.1 | -64.6 | 178.1 | 0 | 0 | 0 | 110.9 | N713 G736 Y737 | N713-L734 WeakPolarHBondContact O-CB 3.35Å; N713-L734 WeakPolarHBondContact O-CG 3.4Å; N713-L734 PolarHBondContact O-N 3.11Å; L734-G736 PolarHBondContact O-N 3.44Å; L734-Y737 HydrophobicContact CB-CD2 4.41Å; L734-Y737 WeakPolarHBondContact O-CB 3.05Å; L734-Y737 PolarHBondContact O-N 3.5Å; L734-Y737 VanDerWaalsContact O-N 3.09Å |
| 735 | P | 82.1 | Confident | 86.9 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 83% | 0.831 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 136.2 | 177.2 | -27 | 35.8 | 0 | 0 | 0 | 112.9 | ||
| 736 | G | 72.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -12.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L734 K767 | L734-G736 PolarHBondContact O-N 3.44Å; G736-K767 PolarHBondContact O-N 3.46Å |
| 737 | Y | 82.3 | Confident | 87.4 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 26% | 0.263 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.1 | 177.8 | -63.8 | -103.2 | 0 | 0 | 0 | 111.5 | N713 L734 C764 A765 L766 | N713-Y737 HydrophobicContact CB-CD1 3.65Å; N713-Y737 HydrophobicContact CB-CD2 4.07Å; N713-Y737 HydrophobicContact CB-CE1 3.52Å; N713-Y737 HydrophobicContact CB-CE2 3.98Å; N713-Y737 HydrophobicContact CB-CG 3.94Å; N713-Y737 VanDerWaalsContact CG-CE1 3.45Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.43Å; L734-Y737 HydrophobicContact CB-CD2 4.41Å; L734-Y737 WeakPolarHBondContact O-CB 3.05Å; L734-Y737 PolarHBondContact O-N 3.5Å; L734-Y737 VanDerWaalsContact O-N 3.09Å; Y737-C764 HydrophobicContact CD1-CB 4.25Å; Y737-C764 WeakPolarHBondContact CD1-O 3.45Å; Y737-C764 HydrophobicContact CG-CB 4.44Å; Y737-A765 CarbonylContact C-O 3.58Å; Y737-A765 VanDerWaalsContact CA-O 3.24Å; Y737-A765 WeakPolarHBondContact CA-O 3.47Å; Y737-L766 HydrophobicContact CD1-CD2 4.32Å; Y737-L766 HydrophobicContact CD1-CG 4.03Å; Y737-L766 HydrophobicContact CE1-CD1 4.3Å; Y737-L766 HydrophobicContact CE1-CD2 3.89Å; Y737-L766 HydrophobicContact CE1-CG 3.53Å; Y737-L766 HydrophobicContact CE2-CD2 4.11Å |
| 738 | S | 82 | Confident | 87.3 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.3 | 171.3 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | A765 | S738-A765 PolarHBondContact N-O 2.61Å; S738-A765 PolarHBondContact O-N 2.68Å |
| 739 | L | 86.1 | Confident | 86.9 | Confident | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.4 | -179.2 | -167.6 | 145.6 | 0 | 0 | 0 | 110.9 | Y731 C733 G741 A743 P762 K763 | Y731-L739 WeakPolarHBondContact O-CD1 3.39Å; C733-L739 VanDerWaalsContact SG-CA 3.56Å; C733-L739 VanDerWaalsContact SG-CB 3.59Å; L739-G741 VanDerWaalsContact CD2-O 3.24Å; L739-G741 WeakPolarHBondContact CD2-O 3.22Å; L739-A743 HydrophobicContact CD1-CB 4.31Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; L739-P762 HydrophobicContact CD1-CB 4.29Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.71Å; L739-P762 HydrophobicContact CD2-CG 4.41Å; L739-P762 HydrophobicContact CG-CB 3.97Å; L739-P762 HydrophobicContact CG-CG 4.49Å; L739-K763 CarbonylContact C-O 3.59Å; L739-K763 WeakPolarHBondContact CA-O 3.21Å |
| 740 | E | 87.4 | Confident | 86.2 | Confident | 116 Ų | 116 | 63.4 Ų | 63.4 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.4 | 174.1 | -63 | -176.6 | 160.7 | 0 | 0 | 109.1 | P762 K763 A765 | E740-P762 CarbonylContact O-C 3.52Å; E740-P762 WeakPolarHBondContact O-CA 3.41Å; E740-P762 WeakPolarHBondContact O-CB 3.46Å; E740-K763 PolarHBondContact N-O 2.87Å; E740-K763 PolarHBondContact O-N 2.96Å; E740-A765 VanDerWaalsContact CD-CB 3.46Å; E740-A765 HydrophobicContact CG-CB 4.03Å; E740-A765 WeakPolarHBondContact OE1-CB 3.11Å |
| 741 | G | 85.6 | Confident | 85.1 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 115.2 | -164.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L739 A743 | L739-G741 VanDerWaalsContact CD2-O 3.24Å; L739-G741 WeakPolarHBondContact CD2-O 3.22Å; G741-A743 PolarHBondContact O-N 2.86Å |
| 742 | A | 87.8 | Confident | 83.6 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | trans | -75.4 | 122.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M744 L745 D759 P762 | A742-M744 PolarHBondContact O-N 3.04Å; A742-L745 HydrophobicContact CB-CD2 4.05Å; A742-D759 HydrophobicContact CB-CB 3.92Å; A742-P762 WeakPolarHBondContact O-CG 3.41Å | ||
| 743 | A | 87.3 | Confident | 82.6 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -71.5 | -9.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q730 Y731 L739 G741 | Q730-A743 WeakPolarHBondContact CA-O 3.19Å; Q730-A743 WeakPolarHBondContact CG-O 3.35Å; Y731-A743 PolarHBondContact N-O 2.94Å; L739-A743 HydrophobicContact CD1-CB 4.31Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; G741-A743 PolarHBondContact O-N 2.86Å |
| 744 | M | 90.8 | Very high | 82.1 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 119.4 | -175.7 | 176.1 | 95.3 | -71.5 | 0 | 0 | 108.2 | H728 V729 Q730 A742 | H728-M744 HydrophobicContact CB-CE 3.75Å; H728-M744 HydrophobicContact CB-SD 4.08Å; V729-M744 WeakPolarHBondContact O-CE 3.25Å; Q730-M744 VanDerWaalsContact CA-CE 3.48Å; Q730-M744 HydrophobicContact CB-CE 3.57Å; Q730-M744 HydrophobicContact CG-CE 4.22Å; Q730-M744 VanDerWaalsContact N-CE 3.26Å; A742-M744 PolarHBondContact O-N 3.04Å |
| 745 | L | 90.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.6 | 169.1 | -57.1 | -173.9 | 0 | 0 | 0 | 109.7 | P708 H728 V729 Y731 A742 W757 S758 D759 | P708-L745 HydrophobicContact CB-CD1 4.05Å; H728-L745 CarbonylContact C-O 3.59Å; H728-L745 WeakPolarHBondContact CA-O 3.29Å; V729-L745 PolarHBondContact N-O 2.94Å; V729-L745 PolarHBondContact O-N 3.28Å; Y731-L745 HydrophobicContact CD2-CG 4.47Å; Y731-L745 HydrophobicContact CE2-CD1 3.86Å; Y731-L745 HydrophobicContact CE2-CG 4.07Å; A742-L745 HydrophobicContact CB-CD2 4.05Å; L745-W757 HydrophobicContact CB-CD2 4.35Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.36Å; L745-S758 WeakPolarHBondContact CA-OG 3.37Å; L745-D759 HydrophobicContact CD2-CB 3.68Å |
| 746 | T | 90.4 | Very high | 82.3 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 20% | 0.202 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.1 | 175.6 | 33.7 | 0 | 0 | 0 | 0 | 110.6 | H728 Y748 W757 S758 | H728-T746 HydrophobicContact CB-CG2 3.89Å; T746-Y748 WeakPolarHBondContact OG1-CE2 3.17Å; T746-Y748 PolarHBondContact OG1-OH 2.98Å; T746-W757 CarbonylContact O-C 3.53Å; T746-W757 WeakPolarHBondContact O-CA 3.45Å; T746-S758 PolarHBondContact N-OG 2.93Å; T746-S758 VanDerWaalsContact N-OG 3.11Å; T746-S758 PolarHBondContact O-N 2.87Å; T746-S758 WeakPolarHBondContact OG1-CB 3.49Å |
| 747 | C | 90.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.1 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | C705 G726 S727 W757 | C705-C747 HydrophobicContact CB-CB 3.86Å; C705-C747 WeakPolarHBondContact CB-SG 3.05Å; C705-C747 VanDerWaalsContact SG-CA 3.52Å; C705-C747 WeakPolarHBondContact SG-CB 3.39Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 2.87Å; G726-C747 PolarHBondContact N-O 2.77Å; S727-C747 PolarHBondContact O-N 2.94Å; C747-W757 HydrophobicContact CB-CE3 4.08Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.44Å; C747-W757 HydrophobicContact CB-CZ3 3.73Å |
| 748 | Y | 86.8 | Confident | 83.4 | Confident | 137 Ų | 137 | 64 Ų | 64 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.2 | 176.7 | -67.3 | -67.6 | 0 | 0 | 0 | 111.4 | T746 P755 K756 | T746-Y748 WeakPolarHBondContact OG1-CE2 3.17Å; T746-Y748 PolarHBondContact OG1-OH 2.98Å; Y748-P755 WeakPolarHBondContact O-CA 3.42Å; Y748-K756 PolarHBondContact N-O 3.39Å; Y748-K756 PolarHBondContact O-N 2.97Å |
| 749 | S | 81.8 | Confident | 83.7 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | trans | -65.4 | 153.7 | 164.5 | 45.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 750 | R | 77 | Confident | 83.8 | Confident | 114 Ų | 114 | 74 Ų | 74 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | trans | -127.7 | 145.3 | 166.6 | -159.9 | 171.4 | 75.1 | -125 | 7.5 | 108.3 | T752 T754 | R750-T752 VanDerWaalsContact C-N 3.3Å; R750-T752 PolarHBondContact NE-O 3.1Å; R750-T752 PolarHBondContact NH2-O 2.99Å; R750-T752 PolarHBondContact O-N 3.43Å; R750-T754 PolarHBondContact NH1-O 2.83Å | ||
| 751 | D | 66.9 | Low | 83.9 | Confident | 149 Ų | 149 | 71.4 Ų | 71.4 | 80% | 0.797 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -69.3 | -34.2 | -176.5 | -50.9 | -67.1 | 0 | 0 | 0 | 111.5 | ||
| 752 | T | 60.4 | Low | 84.1 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 70% | 0.699 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -120.4 | 97 | 179.4 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | R750 | R750-T752 VanDerWaalsContact C-N 3.3Å; R750-T752 PolarHBondContact NE-O 3.1Å; R750-T752 PolarHBondContact NH2-O 2.99Å; R750-T752 PolarHBondContact O-N 3.43Å |
| 753 | G | 68.7 | Low | 84.2 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 106.8 | -176.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P674 | P674-G753 VanDerWaalsContact O-CA 3.24Å; P674-G753 WeakPolarHBondContact O-CA 3.36Å; P674-G753 PolarHBondContact O-N 2.9Å |
| 754 | T | 80.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 73 Ų | 73 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | trans | -64.7 | 148 | -173.2 | 44 | 0 | 0 | 0 | 0 | 113.9 | I702 R750 | I702-T754 HydrophobicContact CD1-CG2 3.7Å; R750-T754 PolarHBondContact NH1-O 2.83Å | ||
| 755 | P | 85.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -54.5 | 149.6 | 168.2 | -24.3 | 34.7 | 0 | 0 | 0 | 112.1 | I702 V725 Y748 | I702-P755 VanDerWaalsContact O-CD 3.24Å; I702-P755 WeakPolarHBondContact O-CD 3.01Å; I702-P755 WeakPolarHBondContact O-CG 3.33Å; V725-P755 HydrophobicContact CG2-CB 3.97Å; V725-P755 HydrophobicContact CG2-CG 4.01Å; Y748-P755 WeakPolarHBondContact O-CA 3.42Å | ||
| 756 | K | 87.1 | Confident | 83.1 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 60% | 0.604 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.9 | -174.1 | -165 | -163 | 165 | -161.2 | 0 | 111.6 | C705 Y748 | C705-K756 VanDerWaalsContact SG-C 3.54Å; Y748-K756 PolarHBondContact N-O 3.39Å; Y748-K756 PolarHBondContact O-N 2.97Å |
| 757 | W | 90 | Very high | 82 | Confident | 29 Ų | 29 | 80 Ų | 80 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 142.1 | 165.9 | -63.3 | 107.9 | 0 | 0 | 0 | 112.1 | C705 A706 P708 F723 V729 L745 T746 C747 D759 | C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.62Å; A706-W757 PolarHBondContact O-NE1 2.81Å; P708-W757 HydrophobicContact CG-CD2 4.37Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CB-CH2 4.01Å; F723-W757 HydrophobicContact CB-CZ2 3.81Å; F723-W757 AromaticContact CD1-CH2 3.75Å; F723-W757 HydrophobicContact CD1-CH2 3.75Å; F723-W757 AromaticContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CG-CH2 4.13Å; F723-W757 AromaticContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CG-CZ2 3.85Å; V729-W757 HydrophobicContact CG2-CH2 3.68Å; V729-W757 HydrophobicContact CG2-CZ2 4.32Å; V729-W757 HydrophobicContact CG2-CZ3 4.02Å; L745-W757 HydrophobicContact CB-CD2 4.35Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.36Å; T746-W757 CarbonylContact O-C 3.53Å; T746-W757 WeakPolarHBondContact O-CA 3.45Å; C747-W757 HydrophobicContact CB-CE3 4.08Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.44Å; C747-W757 HydrophobicContact CB-CZ3 3.73Å; W757-D759 PolarHBondContact O-N 3.36Å |
| 758 | S | 88.6 | Confident | 81 | Confident | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -48.5 | -41.4 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | L745 T746 | L745-S758 WeakPolarHBondContact CA-OG 3.37Å; T746-S758 PolarHBondContact N-OG 2.93Å; T746-S758 VanDerWaalsContact N-OG 3.11Å; T746-S758 PolarHBondContact O-N 2.87Å; T746-S758 WeakPolarHBondContact OG1-CB 3.49Å |
| 759 | D | 88.3 | Confident | 80.4 | Confident | 92 Ų | 92 | 83 Ų | 83 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -146.5 | 177.8 | -170.1 | -140.2 | -37 | 0 | 0 | 0 | 111.8 | A742 L745 W757 | A742-D759 HydrophobicContact CB-CB 3.92Å; L745-D759 HydrophobicContact CD2-CB 3.68Å; W757-D759 PolarHBondContact O-N 3.36Å |
| 760 | R | 88.1 | Confident | 80.3 | Confident | 215 Ų | 215 | 81.7 Ų | 81.7 | 81% | 0.811 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 151.3 | 174 | -59.5 | -172.6 | -173.1 | -157.3 | 2.3 | 111.2 | ||
| 761 | V | 89.2 | Confident | 80.5 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 38% | 0.376 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 125.7 | 175.7 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | P708 I711 | P708-V761 HydrophobicContact CB-CG2 4.21Å; P708-V761 WeakPolarHBondContact O-CG2 3.49Å; I711-V761 HydrophobicContact CG2-CG1 3.56Å |
| 762 | P | 89.9 | Confident | 81.3 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.032 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 169.9 | -177 | 31.8 | -38 | 0 | 0 | 0 | 112.3 | I711 Y731 L739 E740 A742 | I711-P762 VanDerWaalsContact CG2-O 3.26Å; I711-P762 WeakPolarHBondContact CG2-O 3.38Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.72Å; Y731-P762 HydrophobicContact CE2-CG 4.46Å; Y731-P762 HydrophobicContact CG-CG 3.7Å; L739-P762 HydrophobicContact CD1-CB 4.29Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.71Å; L739-P762 HydrophobicContact CD2-CG 4.41Å; L739-P762 HydrophobicContact CG-CB 3.97Å; L739-P762 HydrophobicContact CG-CG 4.49Å; E740-P762 CarbonylContact O-C 3.52Å; E740-P762 WeakPolarHBondContact O-CA 3.41Å; E740-P762 WeakPolarHBondContact O-CB 3.46Å; A742-P762 WeakPolarHBondContact O-CG 3.41Å |
| 763 | K | 89.1 | Confident | 82.4 | Confident | 150 Ų | 150 | 71.2 Ų | 71.2 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.4 | 177 | -64.5 | -178.7 | -179 | 179.4 | 0 | 111.3 | L739 E740 | L739-K763 CarbonylContact C-O 3.59Å; L739-K763 WeakPolarHBondContact CA-O 3.21Å; E740-K763 PolarHBondContact N-O 2.87Å; E740-K763 PolarHBondContact O-N 2.96Å |
| 764 | C | 88.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 105.5 | 171 | -67.9 | 0 | 0 | 0 | 0 | 109.6 | I711 A712 N713 C733 Y737 | I711-C764 VanDerWaalsContact CD1-SG 3.58Å; A712-C764 WeakPolarHBondContact O-CB 3.48Å; N713-C764 HydrophobicContact CB-CB 4.16Å; N713-C764 PolarHBondContact O-SG 3.09Å; C733-C764 WeakPolarHBondContact CA-SG 3.36Å; C733-C764 HydrophobicContact CB-CB 3.83Å; C733-C764 WeakPolarHBondContact CB-SG 3.33Å; C733-C764 WeakPolarHBondContact SG-CA 3.46Å; C733-C764 WeakPolarHBondContact SG-CB 3.06Å; C733-C764 CovalentContact SG-SG 2.03Å; C733-C764 PolarHBondContact SG-SG 2.92Å; Y737-C764 HydrophobicContact CD1-CB 4.25Å; Y737-C764 WeakPolarHBondContact CD1-O 3.45Å; Y737-C764 HydrophobicContact CG-CB 4.44Å |
| 765 | A | 82.3 | Confident | 83.1 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 144.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y737 S738 E740 K767 | Y737-A765 CarbonylContact C-O 3.58Å; Y737-A765 VanDerWaalsContact CA-O 3.24Å; Y737-A765 WeakPolarHBondContact CA-O 3.47Å; S738-A765 PolarHBondContact N-O 2.61Å; S738-A765 PolarHBondContact O-N 2.68Å; E740-A765 VanDerWaalsContact CD-CB 3.46Å; E740-A765 HydrophobicContact CG-CB 4.03Å; E740-A765 WeakPolarHBondContact OE1-CB 3.11Å; A765-K767 PolarHBondContact O-N 3.28Å |
| 766 | L | 75.2 | Confident | 82.9 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 127.3 | 173.2 | -89.6 | 161.9 | 0 | 0 | 0 | 110.2 | Y737 Y768 | Y737-L766 HydrophobicContact CD1-CD2 4.32Å; Y737-L766 HydrophobicContact CD1-CG 4.03Å; Y737-L766 HydrophobicContact CE1-CD1 4.3Å; Y737-L766 HydrophobicContact CE1-CD2 3.89Å; Y737-L766 HydrophobicContact CE1-CG 3.53Å; Y737-L766 HydrophobicContact CE2-CD2 4.11Å; L766-Y768 HydrophobicContact CB-CE2 4.45Å |
| 767 | K | 67.3 | Low | 82.7 | Confident | 149 Ų | 149 | 68.9 Ų | 68.9 | 65% | 0.648 | 35% | 0.352 | S | S | * | . | trans | -97.3 | 101.8 | 175.6 | -169.8 | 170.1 | -178.2 | 175.7 | 0 | 110.4 | G736 A765 | G736-K767 PolarHBondContact O-N 3.46Å; A765-K767 PolarHBondContact O-N 3.28Å | ||
| 768 | Y | 69.7 | Low | 82.2 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 145.9 | 174.4 | -58.6 | -70.1 | 0 | 0 | 0 | 111.7 | L766 A791 P815 H817 | L766-Y768 HydrophobicContact CB-CE2 4.45Å; Y768-A791 HydrophobicContact CD2-CB 4.07Å; Y768-A791 HydrophobicContact CG-CB 4.15Å; Y768-P815 HydrophobicContact CD1-CB 3.84Å; Y768-P815 HydrophobicContact CD2-CB 4.05Å; Y768-P815 HydrophobicContact CE1-CB 3.64Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 4.04Å; Y768-H817 AromaticContact CD1-NE2 3.98Å |
| 769 | E | 74.6 | Confident | 81.7 | Confident | 117 Ų | 117 | 76.6 Ų | 76.6 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 134.1 | 167.7 | -65.5 | -176.3 | 149.3 | 0 | 0 | 109 | S819 | E769-S819 WeakPolarHBondContact O-CB 3.47Å; E769-S819 PolarHBondContact O-OG 3.38Å |
| 770 | P | 78.6 | Confident | 81.5 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 145.9 | -173.5 | 31.6 | -36.3 | 0 | 0 | 0 | 112.3 | L772 H788 Y789 | P770-L772 PolarHBondContact O-N 3.05Å; P770-H788 HydrophobicContact CB-CB 4.03Å; P770-H788 HydrophobicContact CG-CB 3.97Å; P770-Y789 CarbonylContact C-O 3.58Å; P770-Y789 VanDerWaalsContact CA-O 3.22Å; P770-Y789 WeakPolarHBondContact CA-O 3.39Å; P770-Y789 WeakPolarHBondContact CB-O 3.34Å |
| 771 | C | 82.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.1 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 111 | H788 Y789 C813 S819 W821 | C771-H788 CarbonylContact O-C 3.52Å; C771-H788 WeakPolarHBondContact O-CA 3.27Å; C771-Y789 PolarHBondContact N-O 3.42Å; C771-Y789 PolarHBondContact O-N 3.04Å; C771-C813 HydrophobicContact CB-CB 3.8Å; C771-C813 WeakPolarHBondContact CB-SG 3.42Å; C771-C813 WeakPolarHBondContact SG-CA 3.36Å; C771-C813 WeakPolarHBondContact SG-CB 3Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 2.84Å; C771-S819 VanDerWaalsContact SG-C 3.54Å; C771-S819 VanDerWaalsContact SG-CB 3.54Å; C771-W821 HydrophobicContact CB-CD2 4.31Å; C771-W821 HydrophobicContact CB-CZ2 3.76Å |
| 772 | L | 83.6 | Confident | 81.3 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 63% | 0.634 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 148 | 167.8 | -74.5 | 163.8 | 0 | 0 | 0 | 110.6 | P770 H788 W821 | P770-L772 PolarHBondContact O-N 3.05Å; L772-H788 WeakPolarHBondContact CD2-NE2 3.34Å; L772-W821 PolarHBondContact O-NE1 2.9Å |
| 773 | N | 83.4 | Confident | 81 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.2 | 175 | -171.9 | -34.3 | 0 | 0 | 0 | 111 | G775 Q782 Y785 K786 H787 Y789 | N773-G775 VanDerWaalsContact C-N 3.28Å; N773-G775 PolarHBondContact O-N 2.94Å; N773-G775 PolarHBondContact OD1-N 2.89Å; N773-Q782 PolarHBondContact ND2-NE2 2.88Å; N773-Y785 WeakPolarHBondContact ND2-CD2 3.34Å; N773-Y785 WeakPolarHBondContact ND2-CE2 3.45Å; N773-K786 WeakPolarHBondContact CB-O 3.46Å; N773-K786 PolarHBondContact ND2-O 3.34Å; N773-H787 PolarHBondContact N-O 2.8Å; N773-H787 VanDerWaalsContact N-O 3.09Å; N773-Y789 HydrophobicContact CB-CE2 4.02Å |
| 774 | P | 83 | Confident | 80.7 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 29% | 0.292 | 35% | 0.35 | S | S | . | . | trans | -79.6 | -6.2 | -175.5 | 32.5 | -34.4 | 0 | 0 | 0 | 114 | L795 F797 I811 W821 | P774-L795 HydrophobicContact CG-CD2 4.23Å; P774-F797 HydrophobicContact CG-CZ 4.31Å; P774-I811 HydrophobicContact CG-CD1 3.8Å; P774-W821 HydrophobicContact CG-CZ2 4.5Å | ||
| 775 | G | 79.7 | Confident | 80.4 | Confident | 29 Ų | 29 | 73 Ų | 73 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | 91.4 | 166.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N773 F797 | N773-G775 VanDerWaalsContact C-N 3.28Å; N773-G775 PolarHBondContact O-N 2.94Å; N773-G775 PolarHBondContact OD1-N 2.89Å; G775-F797 WeakPolarHBondContact O-CE1 3.47Å | ||
| 776 | V | 83.1 | Confident | 80.3 | Confident | 89 Ų | 89 | 75 Ų | 75 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 144.4 | 174.8 | -71 | 0 | 0 | 0 | 0 | 111 | Q782 | V776-Q782 HydrophobicContact CG1-CB 4.05Å; V776-Q782 HydrophobicContact CG1-CG 3.67Å |
| 777 | P | 82.4 | Confident | 80.5 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 153.5 | 173.9 | 32 | -35.2 | 0 | 0 | 0 | 112.4 | G780 F797 P826 | P777-G780 PolarHBondContact O-N 2.84Å; P777-G780 VanDerWaalsContact O-N 3.11Å; P777-F797 HydrophobicContact CG-CD1 4.32Å; P777-P826 WeakPolarHBondContact CB-O 3.48Å; P777-P826 WeakPolarHBondContact CG-O 3.38Å |
| 778 | E | 78.7 | Confident | 81.3 | Confident | 167 Ų | 167 | 75.3 Ų | 75.3 | 78% | 0.78 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 134.1 | 175.7 | -166.5 | 169.2 | -155.3 | 0 | 0 | 110.5 | G780 | E778-G780 VanDerWaalsContact C-N 3.27Å; E778-G780 PolarHBondContact O-N 3.01Å |
| 779 | N | 79.4 | Confident | 82 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 28.1 | -170.1 | -53.3 | -56.4 | 0 | 0 | 0 | 115.4 | Y800 F803 C828 | N779-Y800 WeakPolarHBondContact O-CD2 3.26Å; N779-Y800 PolarHBondContact O-N 2.89Å; N779-F803 HydrophobicContact CB-CD1 4.13Å; N779-F803 HydrophobicContact CB-CD2 4.34Å; N779-F803 HydrophobicContact CB-CE1 3.94Å; N779-F803 HydrophobicContact CB-CE2 4.16Å; N779-F803 HydrophobicContact CB-CG 4.34Å; N779-F803 HydrophobicContact CB-CZ 3.95Å; N779-C828 HydrophobicContact CB-CB 4.37Å |
| 780 | G | 82.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 71 Ų | 71 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | -174.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P777 E778 F798 Y800 | P777-G780 PolarHBondContact O-N 2.84Å; P777-G780 VanDerWaalsContact O-N 3.11Å; E778-G780 VanDerWaalsContact C-N 3.27Å; E778-G780 PolarHBondContact O-N 3.01Å; G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.4Å; G780-Y800 WeakPolarHBondContact O-CE2 3.28Å; G780-Y800 PolarHBondContact O-OH 3.26Å |
| 781 | Y | 85.6 | Confident | 82.2 | Confident | 106 Ų | 106 | 70.3 Ų | 70.3 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 167.6 | 175.1 | 67.1 | -84.9 | 0 | 0 | 0 | 111.4 | F797 F798 Y800 | Y781-F797 WeakPolarHBondContact O-CA 3.44Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.47Å; Y781-F798 HydrophobicContact CD2-CD2 4.21Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.01Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.37Å; Y781-F798 HydrophobicContact CE2-CG 4.14Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.9Å; Y781-F798 PolarHBondContact N-O 3.09Å; Y781-F798 PolarHBondContact O-N 3.01Å; Y781-Y800 HydrophobicContact CD1-CD1 4.14Å; Y781-Y800 AromaticContact CD1-CE1 3.62Å; Y781-Y800 HydrophobicContact CD1-CE1 3.62Å; Y781-Y800 AromaticContact CD1-CZ 3.99Å; Y781-Y800 HydrophobicContact CE1-CD1 4.39Å; Y781-Y800 HydrophobicContact CE1-CE1 4.19Å |
| 782 | Q | 87.6 | Confident | 82.1 | Confident | 23 Ų | 23 | 73 Ų | 73 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.5 | 179.2 | 69.5 | -174.6 | 57.2 | 0 | 0 | 112.4 | N773 V776 L784 Y789 L795 R796 F797 | N773-Q782 PolarHBondContact ND2-NE2 2.88Å; V776-Q782 HydrophobicContact CG1-CB 4.05Å; V776-Q782 HydrophobicContact CG1-CG 3.67Å; Q782-L784 WeakPolarHBondContact CG-O 3.43Å; Q782-L784 PolarHBondContact NE2-O 2.96Å; Q782-L784 PolarHBondContact O-N 2.91Å; Q782-Y789 PolarHBondContact NE2-OH 3.5Å; Q782-L795 HydrophobicContact CB-CD1 4.06Å; Q782-L795 HydrophobicContact CG-CD1 4.29Å; Q782-R796 CarbonylContact C-O 3.42Å; Q782-R796 WeakPolarHBondContact CA-O 3.33Å; Q782-F797 HydrophobicContact CB-CD1 3.71Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å |
| 783 | T | 84.3 | Confident | 82.1 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -63 | -34 | -175.2 | 42.5 | 0 | 0 | 0 | 0 | 115.2 | R796 F798 | T783-R796 HydrophobicContact CG2-CB 3.73Å; T783-R796 HydrophobicContact CG2-CG 3.94Å; T783-R796 PolarHBondContact N-O 3.09Å; T783-R796 PolarHBondContact OG1-N 3.35Å; T783-R796 PolarHBondContact OG1-O 2.78Å; T783-F798 HydrophobicContact CG2-CD2 4.47Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.41Å |
| 784 | L | 81.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | trans | -150.7 | 148.4 | -174.1 | -163.1 | 74 | 0 | 0 | 0 | 109.4 | Q782 K786 Y789 L795 | Q782-L784 WeakPolarHBondContact CG-O 3.43Å; Q782-L784 PolarHBondContact NE2-O 2.96Å; Q782-L784 PolarHBondContact O-N 2.91Å; L784-K786 HydrophobicContact CD2-CG 4.3Å; L784-Y789 PolarHBondContact O-OH 3.11Å; L784-L795 WeakPolarHBondContact O-CD1 3.27Å | ||
| 785 | Y | 82.7 | Confident | 82.5 | Confident | 151 Ų | 151 | 70 Ų | 70 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | trans | -112.1 | 115.7 | 171.5 | -173.7 | -87.6 | 0 | 0 | 0 | 111 | N773 H787 | N773-Y785 WeakPolarHBondContact ND2-CD2 3.34Å; N773-Y785 WeakPolarHBondContact ND2-CE2 3.45Å; Y785-H787 AromaticContact CE1-CE1 3.68Å; Y785-H787 AromaticContact CE1-ND1 3.92Å; Y785-H787 AromaticContact CE1-NE2 3.91Å; Y785-H787 AromaticContact CZ-CE1 3.89Å; Y785-H787 AromaticContact CZ-ND1 3.97Å; Y785-H787 PolarHBondContact OH-CE1 3.2Å; Y785-H787 PolarHBondContact OH-ND1 3.36Å | ||
| 786 | K | 81.2 | Confident | 82.9 | Confident | 65 Ų | 65 | 74 Ų | 74 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | trans | -119.9 | 157.1 | 159.1 | -51.9 | -173.9 | -172.8 | -176.3 | 0 | 108.9 | N773 L784 H788 Y789 E793 | N773-K786 WeakPolarHBondContact CB-O 3.46Å; N773-K786 PolarHBondContact ND2-O 3.34Å; L784-K786 HydrophobicContact CD2-CG 4.3Å; K786-H788 WeakPolarHBondContact CB-O 3.36Å; K786-H788 WeakPolarHBondContact CD-O 3.26Å; K786-Y789 HydrophobicContact CB-CD1 4.37Å; K786-Y789 HydrophobicContact CB-CD2 4.35Å; K786-Y789 HydrophobicContact CB-CE1 3.96Å; K786-Y789 HydrophobicContact CB-CE2 3.96Å; K786-Y789 HydrophobicContact CD-CD1 3.87Å; K786-Y789 HydrophobicContact CD-CE1 3.9Å; K786-Y789 HydrophobicContact CD-CG 4.48Å; K786-Y789 HydrophobicContact CG-CD1 4.29Å; K786-Y789 HydrophobicContact CG-CE1 3.82Å; K786-Y789 PolarHBondContact N-OH 2.86Å; K786-Y789 VanDerWaalsContact N-OH 3.09Å; K786-Y789 WeakPolarHBondContact O-CE2 3.35Å; K786-E793 IonicContact NZ-OE1 2.82Å; K786-E793 PolarHBondContact NZ-OE1 2.81Å; K786-E793 IonicContact NZ-OE2 2.8Å; K786-E793 PolarHBondContact NZ-OE2 3.2Å | ||
| 787 | H | 78.9 | Confident | 83.1 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 57% | 0.569 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -75.1 | -33.5 | 166.8 | -69.8 | -69.8 | 0 | 0 | 0 | 112.4 | N773 Y785 | N773-H787 PolarHBondContact N-O 2.8Å; N773-H787 VanDerWaalsContact N-O 3.09Å; Y785-H787 AromaticContact CE1-CE1 3.68Å; Y785-H787 AromaticContact CE1-ND1 3.92Å; Y785-H787 AromaticContact CE1-NE2 3.91Å; Y785-H787 AromaticContact CZ-CE1 3.89Å; Y785-H787 AromaticContact CZ-ND1 3.97Å; Y785-H787 PolarHBondContact OH-CE1 3.2Å; Y785-H787 PolarHBondContact OH-ND1 3.36Å |
| 788 | H | 84.3 | Confident | 83.4 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.4 | -176.7 | -59.3 | 99.2 | 0 | 0 | 0 | 109.7 | P770 C771 L772 K786 | P770-H788 HydrophobicContact CB-CB 4.03Å; P770-H788 HydrophobicContact CG-CB 3.97Å; C771-H788 CarbonylContact O-C 3.52Å; C771-H788 WeakPolarHBondContact O-CA 3.27Å; L772-H788 WeakPolarHBondContact CD2-NE2 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.36Å; K786-H788 WeakPolarHBondContact CD-O 3.26Å |
| 789 | Y | 83.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.5 | 178.2 | -66.5 | -94.7 | 0 | 0 | 0 | 110.1 | P770 C771 N773 Q782 L784 K786 E793 L795 W821 | P770-Y789 CarbonylContact C-O 3.58Å; P770-Y789 VanDerWaalsContact CA-O 3.22Å; P770-Y789 WeakPolarHBondContact CA-O 3.39Å; P770-Y789 WeakPolarHBondContact CB-O 3.34Å; C771-Y789 PolarHBondContact N-O 3.42Å; C771-Y789 PolarHBondContact O-N 3.04Å; N773-Y789 HydrophobicContact CB-CE2 4.02Å; Q782-Y789 PolarHBondContact NE2-OH 3.5Å; L784-Y789 PolarHBondContact O-OH 3.11Å; K786-Y789 HydrophobicContact CB-CD1 4.37Å; K786-Y789 HydrophobicContact CB-CD2 4.35Å; K786-Y789 HydrophobicContact CB-CE1 3.96Å; K786-Y789 HydrophobicContact CB-CE2 3.96Å; K786-Y789 HydrophobicContact CD-CD1 3.87Å; K786-Y789 HydrophobicContact CD-CE1 3.9Å; K786-Y789 HydrophobicContact CD-CG 4.48Å; K786-Y789 HydrophobicContact CG-CD1 4.29Å; K786-Y789 HydrophobicContact CG-CE1 3.82Å; K786-Y789 PolarHBondContact N-OH 2.86Å; K786-Y789 VanDerWaalsContact N-OH 3.09Å; K786-Y789 WeakPolarHBondContact O-CE2 3.35Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.49Å; Y789-E793 HydrophobicContact CD1-CB 4.46Å; Y789-L795 HydrophobicContact CE1-CD1 4.31Å; Y789-L795 HydrophobicContact CE2-CD2 4.34Å; Y789-W821 HydrophobicContact CD1-CH2 4.17Å; Y789-W821 AromaticContact CD2-CH2 3.74Å; Y789-W821 HydrophobicContact CD2-CH2 3.74Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.38Å; Y789-W821 HydrophobicContact CE2-CZ2 4.23Å; Y789-W821 AromaticContact CG-CH2 3.6Å; Y789-W821 HydrophobicContact CG-CH2 3.6Å; Y789-W821 AromaticContact CG-CZ2 3.87Å; Y789-W821 HydrophobicContact CG-CZ2 3.87Å |
| 790 | Q | 82.1 | Confident | 83.9 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | trans | -74.9 | 154.8 | 179.5 | -63.1 | -61.4 | -20.3 | 0 | 0 | 111.1 | G792 E793 | Q790-G792 PolarHBondContact O-N 2.91Å; Q790-E793 HydrophobicContact CB-CG 4.11Å; Q790-E793 PolarHBondContact N-OE2 3.39Å; Q790-E793 WeakPolarHBondContact O-CB 3.21Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.02Å | ||
| 791 | A | 76.5 | Confident | 83.7 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 128 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y768 P815 | Y768-A791 HydrophobicContact CD2-CB 4.07Å; Y768-A791 HydrophobicContact CG-CB 4.15Å; A791-P815 HydrophobicContact CB-CB 3.92Å; A791-P815 HydrophobicContact CB-CG 3.96Å |
| 792 | G | 80.1 | Confident | 83 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -12.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q790 C813 | Q790-G792 PolarHBondContact O-N 2.91Å; G792-C813 PolarHBondContact N-O 2.66Å |
| 793 | E | 84.4 | Confident | 82.7 | Confident | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | trans | -74.3 | 148 | 175.6 | -63.7 | -162.5 | 121.8 | 0 | 0 | 112.3 | K786 Y789 Q790 T812 C813 | K786-E793 IonicContact NZ-OE1 2.82Å; K786-E793 PolarHBondContact NZ-OE1 2.81Å; K786-E793 IonicContact NZ-OE2 2.8Å; K786-E793 PolarHBondContact NZ-OE2 3.2Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.49Å; Y789-E793 HydrophobicContact CD1-CB 4.46Å; Q790-E793 HydrophobicContact CB-CG 4.11Å; Q790-E793 PolarHBondContact N-OE2 3.39Å; Q790-E793 WeakPolarHBondContact O-CB 3.21Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.02Å; E793-T812 WeakPolarHBondContact O-CA 3.49Å; E793-C813 PolarHBondContact O-N 3.27Å | ||
| 794 | S | 86.6 | Confident | 82.4 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 51% | 0.51 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.6 | 177.5 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | I811 | S794-I811 CarbonylContact C-O 3.53Å; S794-I811 VanDerWaalsContact CA-O 3.27Å; S794-I811 WeakPolarHBondContact CA-O 3.32Å |
| 795 | L | 86.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.5 | 175.5 | -177.2 | 59.9 | 0 | 0 | 0 | 109.1 | P774 Q782 L784 Y789 F797 T810 I811 W821 | P774-L795 HydrophobicContact CG-CD2 4.23Å; Q782-L795 HydrophobicContact CB-CD1 4.06Å; Q782-L795 HydrophobicContact CG-CD1 4.29Å; L784-L795 WeakPolarHBondContact O-CD1 3.27Å; Y789-L795 HydrophobicContact CE1-CD1 4.31Å; Y789-L795 HydrophobicContact CE2-CD2 4.34Å; L795-F797 HydrophobicContact CD2-CE1 4.26Å; L795-F797 HydrophobicContact CD2-CE2 4.36Å; L795-F797 HydrophobicContact CD2-CZ 3.7Å; L795-F797 HydrophobicContact CG-CE1 4.48Å; L795-F797 HydrophobicContact CG-CE2 4.25Å; L795-F797 HydrophobicContact CG-CZ 3.98Å; L795-T810 CarbonylContact O-C 3.55Å; L795-T810 WeakPolarHBondContact O-CA 3.41Å; L795-I811 HydrophobicContact CB-CG1 4.14Å; L795-I811 PolarHBondContact N-O 3.41Å; L795-I811 PolarHBondContact O-N 3.3Å; L795-W821 HydrophobicContact CB-CH2 4.14Å; L795-W821 HydrophobicContact CB-CZ3 4.14Å |
| 796 | R | 88.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 74 Ų | 74 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.2 | -177.8 | 167.1 | 168 | -65.6 | -172.5 | -3.9 | 110.8 | Q782 T783 F798 V809 T810 | Q782-R796 CarbonylContact C-O 3.42Å; Q782-R796 WeakPolarHBondContact CA-O 3.33Å; T783-R796 HydrophobicContact CG2-CB 3.73Å; T783-R796 HydrophobicContact CG2-CG 3.94Å; T783-R796 PolarHBondContact N-O 3.09Å; T783-R796 PolarHBondContact OG1-N 3.35Å; T783-R796 PolarHBondContact OG1-O 2.78Å; R796-F798 HydrophobicContact CG-CE1 4.36Å; R796-F798 HydrophobicContact CG-CE2 3.96Å; R796-F798 HydrophobicContact CG-CZ 3.86Å; R796-V809 WeakPolarHBondContact CA-O 3.01Å; R796-V809 WeakPolarHBondContact CG-O 3.3Å; R796-T810 HydrophobicContact CB-CG2 4.34Å; R796-T810 PolarHBondContact NE-OG1 2.9Å; R796-T810 PolarHBondContact NH2-OG1 2.77Å |
| 797 | F | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 155.6 | 179.7 | -59.6 | -83.6 | 0 | 0 | 0 | 111.4 | P774 G775 P777 Y781 Q782 L795 L805 V809 I811 P825 P826 | P774-F797 HydrophobicContact CG-CZ 4.31Å; G775-F797 WeakPolarHBondContact O-CE1 3.47Å; P777-F797 HydrophobicContact CG-CD1 4.32Å; Y781-F797 WeakPolarHBondContact O-CA 3.44Å; Q782-F797 HydrophobicContact CB-CD1 3.71Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å; L795-F797 HydrophobicContact CD2-CE1 4.26Å; L795-F797 HydrophobicContact CD2-CE2 4.36Å; L795-F797 HydrophobicContact CD2-CZ 3.7Å; L795-F797 HydrophobicContact CG-CE1 4.48Å; L795-F797 HydrophobicContact CG-CE2 4.25Å; L795-F797 HydrophobicContact CG-CZ 3.98Å; F797-L805 HydrophobicContact CB-CD1 4.43Å; F797-V809 PolarHBondContact N-O 2.79Å; F797-V809 VanDerWaalsContact N-O 3.15Å; F797-I811 HydrophobicContact CE2-CD1 3.74Å; F797-I811 HydrophobicContact CE2-CG1 3.96Å; F797-I811 HydrophobicContact CE2-CG2 4.39Å; F797-I811 HydrophobicContact CZ-CD1 4.16Å; F797-P825 HydrophobicContact CE1-CB 4.45Å; F797-P825 HydrophobicContact CE2-CB 4.27Å; F797-P825 HydrophobicContact CZ-CB 4.03Å; F797-P826 HydrophobicContact CB-CG 3.73Å; F797-P826 VanDerWaalsContact CD2-CD 3.4Å; F797-P826 HydrophobicContact CD2-CG 3.9Å; F797-P826 HydrophobicContact CG-CG 4Å |
| 798 | F | 87.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 152 | 174.8 | -61.4 | -76.4 | 0 | 0 | 0 | 109.6 | G780 Y781 T783 R796 | G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.4Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.47Å; Y781-F798 HydrophobicContact CD2-CD2 4.21Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.01Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.37Å; Y781-F798 HydrophobicContact CE2-CG 4.14Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.9Å; Y781-F798 PolarHBondContact N-O 3.09Å; Y781-F798 PolarHBondContact O-N 3.01Å; T783-F798 HydrophobicContact CG2-CD2 4.47Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.41Å; R796-F798 HydrophobicContact CG-CE1 4.36Å; R796-F798 HydrophobicContact CG-CE2 3.96Å; R796-F798 HydrophobicContact CG-CZ 3.86Å |
| 799 | C | 87.2 | Confident | 82.7 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 157 | 171.9 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | F803 C828 | C799-F803 HydrophobicContact CB-CB 3.97Å; C799-C828 WeakPolarHBondContact CA-SG 2.95Å; C799-C828 HydrophobicContact CB-CB 3.75Å; C799-C828 WeakPolarHBondContact CB-SG 3.31Å; C799-C828 WeakPolarHBondContact SG-CA 3.49Å; C799-C828 WeakPolarHBondContact SG-CB 3.49Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.76Å |
| 800 | Y | 83.1 | Confident | 83 | Confident | 126 Ų | 126 | 71.5 Ų | 71.5 | 49% | 0.494 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 163.1 | 169.2 | -60.7 | -64.5 | 0 | 0 | 0 | 111.5 | N779 G780 Y781 F803 | N779-Y800 WeakPolarHBondContact O-CD2 3.26Å; N779-Y800 PolarHBondContact O-N 2.89Å; G780-Y800 WeakPolarHBondContact O-CE2 3.28Å; G780-Y800 PolarHBondContact O-OH 3.26Å; Y781-Y800 HydrophobicContact CD1-CD1 4.14Å; Y781-Y800 AromaticContact CD1-CE1 3.62Å; Y781-Y800 HydrophobicContact CD1-CE1 3.62Å; Y781-Y800 AromaticContact CD1-CZ 3.99Å; Y781-Y800 HydrophobicContact CE1-CD1 4.39Å; Y781-Y800 HydrophobicContact CE1-CE1 4.19Å; Y800-F803 PolarHBondContact O-N 3.19Å |
| 801 | E | 78.3 | Confident | 83.3 | Confident | 196 Ų | 196 | 66.4 Ų | 66.4 | 92% | 0.916 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 139.4 | -176.9 | -62.2 | -173.1 | 153.1 | 0 | 0 | 112.4 | ||
| 802 | G | 71.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -6.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 803 | F | 79.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.7 | 176.8 | -61.1 | -101.9 | 0 | 0 | 0 | 112.3 | N779 C799 Y800 C828 K829 V830 | N779-F803 HydrophobicContact CB-CD1 4.13Å; N779-F803 HydrophobicContact CB-CD2 4.34Å; N779-F803 HydrophobicContact CB-CE1 3.94Å; N779-F803 HydrophobicContact CB-CE2 4.16Å; N779-F803 HydrophobicContact CB-CG 4.34Å; N779-F803 HydrophobicContact CB-CZ 3.95Å; C799-F803 HydrophobicContact CB-CB 3.97Å; Y800-F803 PolarHBondContact O-N 3.19Å; F803-C828 HydrophobicContact CB-CB 3.98Å; F803-C828 HydrophobicContact CD1-CB 4.34Å; F803-C828 HydrophobicContact CG-CB 4.43Å; F803-K829 CarbonylContact C-O 3.52Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.11Å; F803-V830 HydrophobicContact CD1-CG2 3.95Å; F803-V830 HydrophobicContact CE1-CG2 3.63Å; F803-V830 HydrophobicContact CZ-CG2 4.16Å |
| 804 | E | 78.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.6 | 171.6 | -172.7 | 168.5 | -154 | 0 | 0 | 110.9 | C828 K829 | E804-C828 WeakPolarHBondContact O-CA 3.44Å; E804-K829 PolarHBondContact N-O 2.98Å; E804-K829 PolarHBondContact O-N 2.8Å |
| 805 | L | 83.8 | Confident | 83.6 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.4 | -176.9 | -172 | 150.1 | 0 | 0 | 0 | 110.6 | F797 V809 P826 | F797-L805 HydrophobicContact CB-CD1 4.43Å; L805-V809 HydrophobicContact CD1-CG2 4.17Å; L805-V809 HydrophobicContact CD2-CB 4.11Å; L805-V809 HydrophobicContact CD2-CG2 4.47Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.08Å; L805-P826 HydrophobicContact CD2-CB 3.6Å; L805-P826 HydrophobicContact CD2-CG 3.96Å; L805-P826 HydrophobicContact CG-CB 3.93Å; L805-P826 HydrophobicContact CG-CG 4.09Å |
| 806 | I | 79.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 46% | 0.456 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.9 | -179.1 | -55.5 | 178 | 0 | 0 | 0 | 109 | L827 K829 | I806-L827 PolarHBondContact N-O 2.92Å; I806-L827 PolarHBondContact O-N 3.21Å; I806-K829 HydrophobicContact CD1-CB 4Å; I806-K829 HydrophobicContact CD1-CD 3.81Å; I806-K829 HydrophobicContact CD1-CG 3.99Å |
| 807 | G | 81.5 | Confident | 81.8 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 144.5 | -166.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V809 | G807-V809 PolarHBondContact O-N 2.97Š|
| 808 | E | 86 | Confident | 81 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | trans | -80.4 | 118.1 | 176.9 | -165.1 | 172.4 | -144.3 | 0 | 0 | 110.4 | T810 I811 T822 S823 P826 | E808-T810 WeakPolarHBondContact CG-O 3.02Å; E808-T810 PolarHBondContact O-N 2.85Å; E808-I811 HydrophobicContact CB-CG2 4.47Å; E808-T822 PolarHBondContact OE2-OG1 2.69Å; E808-S823 WeakPolarHBondContact OE2-CB 3.38Å; E808-S823 PolarHBondContact OE2-OG 2.84Å; E808-P826 WeakPolarHBondContact O-CG 3.03Å | ||
| 809 | V | 84.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -65.9 | -16.8 | -178.1 | 68.6 | 0 | 0 | 0 | 0 | 113.2 | R796 F797 L805 G807 | R796-V809 WeakPolarHBondContact CA-O 3.01Å; R796-V809 WeakPolarHBondContact CG-O 3.3Å; F797-V809 PolarHBondContact N-O 2.79Å; F797-V809 VanDerWaalsContact N-O 3.15Å; L805-V809 HydrophobicContact CD1-CG2 4.17Å; L805-V809 HydrophobicContact CD2-CB 4.11Å; L805-V809 HydrophobicContact CD2-CG2 4.47Å; G807-V809 PolarHBondContact O-N 2.97Å |
| 810 | T | 87.8 | Confident | 80.4 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 114.1 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | L795 R796 E808 | L795-T810 CarbonylContact O-C 3.55Å; L795-T810 WeakPolarHBondContact O-CA 3.41Å; R796-T810 HydrophobicContact CB-CG2 4.34Å; R796-T810 PolarHBondContact NE-OG1 2.9Å; R796-T810 PolarHBondContact NH2-OG1 2.77Å; E808-T810 WeakPolarHBondContact CG-O 3.02Å; E808-T810 PolarHBondContact O-N 2.85Å |
| 811 | I | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 152 | 179.8 | 69 | 174.4 | 0 | 0 | 0 | 109.7 | P774 S794 L795 F797 E808 W821 S823 | P774-I811 HydrophobicContact CG-CD1 3.8Å; S794-I811 CarbonylContact C-O 3.53Å; S794-I811 VanDerWaalsContact CA-O 3.27Å; S794-I811 WeakPolarHBondContact CA-O 3.32Å; L795-I811 HydrophobicContact CB-CG1 4.14Å; L795-I811 PolarHBondContact N-O 3.41Å; L795-I811 PolarHBondContact O-N 3.3Å; F797-I811 HydrophobicContact CE2-CD1 3.74Å; F797-I811 HydrophobicContact CE2-CG1 3.96Å; F797-I811 HydrophobicContact CE2-CG2 4.39Å; F797-I811 HydrophobicContact CZ-CD1 4.16Å; E808-I811 HydrophobicContact CB-CG2 4.47Å; I811-W821 HydrophobicContact CB-CE3 4.25Å; I811-W821 HydrophobicContact CD1-CB 4.27Å; I811-W821 HydrophobicContact CD1-CD2 3.73Å; I811-W821 HydrophobicContact CD1-CE3 3.57Å; I811-W821 HydrophobicContact CD1-CG 4.04Å; I811-W821 HydrophobicContact CD1-CZ3 4.16Å; I811-W821 HydrophobicContact CG1-CD2 4.24Å; I811-W821 HydrophobicContact CG1-CE3 3.54Å; I811-W821 HydrophobicContact CG1-CZ3 3.9Å; I811-S823 WeakPolarHBondContact CG2-OG 3.02Å |
| 812 | T | 88.3 | Confident | 81 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 31% | 0.307 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.9 | 176.1 | 40.7 | 0 | 0 | 0 | 0 | 112.2 | E793 V814 W821 T822 | E793-T812 WeakPolarHBondContact O-CA 3.49Å; T812-V814 PolarHBondContact O-N 2.8Å; T812-W821 CarbonylContact O-C 3.58Å; T812-W821 WeakPolarHBondContact O-CA 3.12Å; T812-T822 PolarHBondContact N-OG1 3.07Å; T812-T822 VanDerWaalsContact N-OG1 3.13Å; T812-T822 PolarHBondContact O-N 3.44Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.49Å |
| 813 | C | 86.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 100.6 | 170.6 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | C771 G792 E793 Q820 W821 | C771-C813 HydrophobicContact CB-CB 3.8Å; C771-C813 WeakPolarHBondContact CB-SG 3.42Å; C771-C813 WeakPolarHBondContact SG-CA 3.36Å; C771-C813 WeakPolarHBondContact SG-CB 3Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 2.84Å; G792-C813 PolarHBondContact N-O 2.66Å; E793-C813 PolarHBondContact O-N 3.27Å; C813-Q820 CarbonylContact C-O 3.46Å; C813-Q820 WeakPolarHBondContact CA-O 3.32Å; C813-W821 HydrophobicContact CB-CE3 4.14Å; C813-W821 HydrophobicContact CB-CH2 4.14Å; C813-W821 HydrophobicContact CB-CZ3 3.9Å |
| 814 | V | 83.2 | Confident | 81.7 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137.5 | 178.7 | -76.1 | 0 | 0 | 0 | 0 | 111.1 | T812 G816 S819 Q820 T822 | T812-V814 PolarHBondContact O-N 2.8Å; V814-G816 PolarHBondContact O-N 2.82Å; V814-S819 VanDerWaalsContact O-CB 3.3Å; V814-S819 WeakPolarHBondContact O-CB 3.35Å; V814-Q820 WeakPolarHBondContact CG2-O 3.42Å; V814-Q820 PolarHBondContact N-O 2.98Å; V814-Q820 PolarHBondContact O-N 3.03Å; V814-T822 HydrophobicContact CG1-CG2 3.69Å |
| 815 | P | 77.4 | Confident | 81.9 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | trans | -59.7 | 130.3 | -177.6 | -16 | 24.7 | 0 | 0 | 0 | 112.4 | Y768 A791 | Y768-P815 HydrophobicContact CD1-CB 3.84Å; Y768-P815 HydrophobicContact CD2-CB 4.05Å; Y768-P815 HydrophobicContact CE1-CB 3.64Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 4.04Å; A791-P815 HydrophobicContact CB-CB 3.92Å; A791-P815 HydrophobicContact CB-CG 3.96Å | ||
| 816 | G | 69.8 | Low | 81.9 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | trans | -166.5 | -175.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V814 P818 S819 | V814-G816 PolarHBondContact O-N 2.82Å; G816-P818 CarbonylContact C-O 3.34Å; G816-P818 CarbonylContact O-C 3.41Å; G816-S819 PolarHBondContact N-OG 3.11Å; G816-S819 PolarHBondContact O-N 3.34Å; G816-S819 PolarHBondContact O-OG 2.62Å | ||
| 817 | H | 65.6 | Low | 82.1 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 88.7 | 174.6 | -66.3 | -72.6 | 0 | 0 | 0 | 109.9 | Y768 | Y768-H817 AromaticContact CD1-NE2 3.98Š|
| 818 | P | 71.8 | Confident | 82.3 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -72.7 | 160.5 | -6.3 | 32.7 | -36.8 | 0 | 0 | 0 | 112.3 | G816 | G816-P818 CarbonylContact C-O 3.34Å; G816-P818 CarbonylContact O-C 3.41Å |
| 819 | S | 80.4 | Confident | 81.8 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | trans | -67.4 | 147.9 | 170.2 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | E769 C771 V814 G816 | E769-S819 WeakPolarHBondContact O-CB 3.47Å; E769-S819 PolarHBondContact O-OG 3.38Å; C771-S819 VanDerWaalsContact SG-C 3.54Å; C771-S819 VanDerWaalsContact SG-CB 3.54Å; V814-S819 VanDerWaalsContact O-CB 3.3Å; V814-S819 WeakPolarHBondContact O-CB 3.35Å; G816-S819 PolarHBondContact N-OG 3.11Å; G816-S819 PolarHBondContact O-N 3.34Å; G816-S819 PolarHBondContact O-OG 2.62Å | ||
| 820 | Q | 83 | Confident | 81.3 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 161.5 | -174.1 | -59 | -173.9 | 19.7 | 0 | 0 | 111 | C813 V814 | C813-Q820 CarbonylContact C-O 3.46Å; C813-Q820 WeakPolarHBondContact CA-O 3.32Å; V814-Q820 WeakPolarHBondContact CG2-O 3.42Å; V814-Q820 PolarHBondContact N-O 2.98Å; V814-Q820 PolarHBondContact O-N 3.03Å |
| 821 | W | 86.4 | Confident | 79.9 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 144.5 | 173.1 | -65.7 | 104.3 | 0 | 0 | 0 | 110.8 | C771 L772 P774 Y789 L795 I811 T812 C813 S823 | C771-W821 HydrophobicContact CB-CD2 4.31Å; C771-W821 HydrophobicContact CB-CZ2 3.76Å; L772-W821 PolarHBondContact O-NE1 2.9Å; P774-W821 HydrophobicContact CG-CZ2 4.5Å; Y789-W821 HydrophobicContact CD1-CH2 4.17Å; Y789-W821 AromaticContact CD2-CH2 3.74Å; Y789-W821 HydrophobicContact CD2-CH2 3.74Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.38Å; Y789-W821 HydrophobicContact CE2-CZ2 4.23Å; Y789-W821 AromaticContact CG-CH2 3.6Å; Y789-W821 HydrophobicContact CG-CH2 3.6Å; Y789-W821 AromaticContact CG-CZ2 3.87Å; Y789-W821 HydrophobicContact CG-CZ2 3.87Å; L795-W821 HydrophobicContact CB-CH2 4.14Å; L795-W821 HydrophobicContact CB-CZ3 4.14Å; I811-W821 HydrophobicContact CB-CE3 4.25Å; I811-W821 HydrophobicContact CD1-CB 4.27Å; I811-W821 HydrophobicContact CD1-CD2 3.73Å; I811-W821 HydrophobicContact CD1-CE3 3.57Å; I811-W821 HydrophobicContact CD1-CG 4.04Å; I811-W821 HydrophobicContact CD1-CZ3 4.16Å; I811-W821 HydrophobicContact CG1-CD2 4.24Å; I811-W821 HydrophobicContact CG1-CE3 3.54Å; I811-W821 HydrophobicContact CG1-CZ3 3.9Å; T812-W821 CarbonylContact O-C 3.58Å; T812-W821 WeakPolarHBondContact O-CA 3.12Å; C813-W821 HydrophobicContact CB-CE3 4.14Å; C813-W821 HydrophobicContact CB-CH2 4.14Å; C813-W821 HydrophobicContact CB-CZ3 3.9Å; W821-S823 PolarHBondContact O-N 3.35Å |
| 822 | T | 87.6 | Confident | 78.3 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -56.8 | -33.2 | 176.3 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | E808 T812 V814 | E808-T822 PolarHBondContact OE2-OG1 2.69Å; T812-T822 PolarHBondContact N-OG1 3.07Å; T812-T822 VanDerWaalsContact N-OG1 3.13Å; T812-T822 PolarHBondContact O-N 3.44Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.49Å; V814-T822 HydrophobicContact CG1-CG2 3.69Å |
| 823 | S | 82.5 | Confident | 76.2 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -154.3 | 168 | -175.2 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | E808 I811 W821 | E808-S823 WeakPolarHBondContact OE2-CB 3.38Å; E808-S823 PolarHBondContact OE2-OG 2.84Å; I811-S823 WeakPolarHBondContact CG2-OG 3.02Å; W821-S823 PolarHBondContact O-N 3.35Å |
| 824 | Q | 82.4 | Confident | 73.8 | Confident | 171 Ų | 171 | 87.5 Ų | 87.5 | 80% | 0.799 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 151.8 | 175.6 | -65.9 | 179.9 | 1.6 | 0 | 0 | 110.4 | ||
| 825 | P | 81.9 | Confident | 71.7 | Confident | 44 Ų | 44 | 91 Ų | 91 | 29% | 0.286 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 137.9 | 179.7 | 22.9 | -33.3 | 0 | 0 | 0 | 111.5 | F797 | F797-P825 HydrophobicContact CE1-CB 4.45Å; F797-P825 HydrophobicContact CE2-CB 4.27Å; F797-P825 HydrophobicContact CZ-CB 4.03Å |
| 826 | P | 84.7 | Confident | 69.8 | Low | 2 Ų | 2 | 94.5 Ų | 94.5 | 1% | 0.013 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 155.7 | -173 | 32 | -37.7 | 0 | 0 | 0 | 112.3 | P777 F797 L805 E808 | P777-P826 WeakPolarHBondContact CB-O 3.48Å; P777-P826 WeakPolarHBondContact CG-O 3.38Å; F797-P826 HydrophobicContact CB-CG 3.73Å; F797-P826 VanDerWaalsContact CD2-CD 3.4Å; F797-P826 HydrophobicContact CD2-CG 3.9Å; F797-P826 HydrophobicContact CG-CG 4Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.08Å; L805-P826 HydrophobicContact CD2-CB 3.6Å; L805-P826 HydrophobicContact CD2-CG 3.96Å; L805-P826 HydrophobicContact CG-CB 3.93Å; L805-P826 HydrophobicContact CG-CG 4.09Å; E808-P826 WeakPolarHBondContact O-CG 3.03Å |
| 827 | L | 84.1 | Confident | 68.1 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.8 | -175.9 | -63.4 | 172.9 | 0 | 0 | 0 | 112.1 | I806 | I806-L827 PolarHBondContact N-O 2.92Å; I806-L827 PolarHBondContact O-N 3.21Å |
| 828 | C | 85.1 | Confident | 66.8 | Low | 16 Ų | 16 | 100.6 Ų | 100.6 | 11% | 0.108 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.7 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 111 | N779 C799 F803 E804 | N779-C828 HydrophobicContact CB-CB 4.37Å; C799-C828 WeakPolarHBondContact CA-SG 2.95Å; C799-C828 HydrophobicContact CB-CB 3.75Å; C799-C828 WeakPolarHBondContact CB-SG 3.31Å; C799-C828 WeakPolarHBondContact SG-CA 3.49Å; C799-C828 WeakPolarHBondContact SG-CB 3.49Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.76Å; F803-C828 HydrophobicContact CB-CB 3.98Å; F803-C828 HydrophobicContact CD1-CB 4.34Å; F803-C828 HydrophobicContact CG-CB 4.43Å; E804-C828 WeakPolarHBondContact O-CA 3.44Å |
| 829 | K | 76.4 | Confident | 65 | Low | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.2 | 178.4 | -63 | -164.8 | -169.8 | 175.2 | 0 | 112.7 | F803 E804 I806 | F803-K829 CarbonylContact C-O 3.52Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.11Å; E804-K829 PolarHBondContact N-O 2.98Å; E804-K829 PolarHBondContact O-N 2.8Å; I806-K829 HydrophobicContact CD1-CB 4Å; I806-K829 HydrophobicContact CD1-CD 3.81Å; I806-K829 HydrophobicContact CD1-CG 3.99Å |
| 830 | V | 74.6 | Confident | 62.6 | Low | 110 Ų | 110 | 115.8 Ų | 115.8 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 142.9 | -179.2 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | F803 | F803-V830 HydrophobicContact CD1-CG2 3.95Å; F803-V830 HydrophobicContact CE1-CG2 3.63Å; F803-V830 HydrophobicContact CZ-CG2 4.16Å |
| 831 | A | 57.9 | Low | 60.3 | Low | 48 Ų | 48 | 115.3 Ų | 115.3 | 40% | 0.397 | 57% | 0.567 | S | S | . | * | trans | -108.1 | 160.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 832 | Y | 54 | Low | 57.9 | Low | 219 Ų | 219 | 120.4 Ų | 120.4 | 86% | 0.859 | 59% | 0.592 | S | S | * | * | trans | 75.9 | 150.3 | -169.2 | -80.3 | -86 | 0 | 0 | 0 | 116.3 | ||||
| 833 | E | 44 | Very low | 55.4 | Low | 167 Ų | 167 | 122.9 Ų | 122.9 | 78% | 0.78 | 61% | 0.607 | S | S | * | * | cis | -125.7 | 160.2 | -2 | -58.8 | -171.7 | 121.3 | 0 | 0 | 111.5 | ||||
| 834 | E | 37.1 | Very low | 52.9 | Low | 196 Ų | 196 | 126.9 Ų | 126.9 | 92% | 0.916 | 63% | 0.63 | S | S | * | * | -153.7 | 138.8 | 126.9 | -140.6 | 170.5 | -143 | 0 | 0 | 110.6 | |||||
| 835 | L | 38.9 | Very low | 50.7 | Low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | trans | -151.4 | 129.5 | -173.9 | -140.6 | 173 | 0 | 0 | 0 | 109.4 | ||||
| 836 | L | 38.2 | Very low | 48.3 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | trans | 73 | 144.1 | -170.9 | -45.6 | 167.4 | 0 | 0 | 0 | 112.5 | ||||
| 837 | D | 33.4 | Very low | 45.9 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | cis | -131.1 | -171.1 | 16.6 | -165.4 | 18.8 | 0 | 0 | 0 | 113.8 | ||||
| 838 | N | 38.8 | Very low | 43.4 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 69% | 0.688 | S | S | * | * | trans | -89.1 | 168.8 | -149.7 | -89.5 | -89 | 0 | 0 | 0 | 118.6 | ||||
| 839 | R | 33.9 | Very low | 41.5 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 88% | 0.875 | 72% | 0.719 | S | S | * | * | trans | 75.8 | 149.1 | 157.1 | -74.9 | 157.8 | 168.6 | 164.4 | -3.3 | 115.8 | ||||
| 840 | K | 29.5 | Very low | 39.4 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | cis | -154.8 | 143 | 22.5 | -158 | -175.9 | 167.1 | -171.8 | 0 | 111.9 | ||||
| 841 | L | 35.8 | Very low | 37.6 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | trans | 26.2 | 145.7 | 149.6 | -74.8 | 49.4 | 0 | 0 | 0 | 119.8 | ||||
| 842 | E | 34.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 154 Ų | 154 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -164.1 | 141 | 12.9 | -119.1 | 151.5 | -174.4 | 0 | 0 | 109.4 | ||||
| 843 | V | 35.3 | Very low | 36 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 58.8 | 108.4 | 103 | 173.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 844 | T | 31.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | -174.8 | 164.7 | 82.7 | 18.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 845 | Q | 35 | Very low | 36.7 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | cis | -155.3 | 156.9 | 3.6 | -130.9 | 167.5 | -15.7 | 0 | 0 | 111.2 | ||||
| 846 | T | 33.1 | Very low | 37.3 | Very low | 107 Ų | 107 | 140 Ų | 140 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | trans | -7.7 | 163 | 146.4 | 61.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 847 | T | 33.8 | Very low | 38.2 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | cis | -177.3 | 160.9 | 23 | 8.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 848 | D | 31.1 | Very low | 39.1 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | cis | -164.6 | 165.8 | -15.1 | -122.5 | 39.1 | 0 | 0 | 0 | 109.6 | ||||
| 849 | P | 44.9 | Very low | 39.8 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -89.6 | 124.8 | -169.6 | 33.7 | -32.8 | 0 | 0 | 0 | 114.8 | ||||
| 850 | S | 33.3 | Very low | 40.9 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -160.9 | 171.8 | 162 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 851 | R | 37 | Very low | 42.3 | Very low | 246 Ų | 246 | 123.9 Ų | 123.9 | 93% | 0.928 | 70% | 0.703 | S | S | * | * | trans | 84.7 | 62.8 | 176.7 | -56.9 | -74.3 | 174.1 | 135.2 | -3.7 | 117.7 | ||||
| 852 | Q | 39.7 | Very low | 43.6 | Very low | 189 Ų | 189 | 123.7 Ų | 123.7 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -101.2 | 100.3 | 150.8 | 179.2 | -174.7 | 12.2 | 0 | 0 | 108.9 | ||||
| 853 | L | 38.7 | Very low | 44.9 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 177.3 | 164.5 | 159.8 | -103.6 | 155.1 | 0 | 0 | 0 | 113 | ||||
| 854 | E | 49.3 | Very low | 46.6 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | trans | 67 | 44.8 | 162.1 | -109.7 | 68.7 | -100.2 | 0 | 0 | 120.9 | G856 | E854-G856 PolarHBondContact O-N 2.03Š| ||
| 855 | G | 44.9 | Very low | 48.3 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 94% | 0.938 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 3.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 856 | G | 52.5 | Low | 50.1 | Low | 48 Ų | 48 | 116.7 Ų | 116.7 | 50% | 0.495 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -22.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | E854 | E854-G856 PolarHBondContact O-N 2.03Š|
| 857 | N | 56.9 | Low | 52.1 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 25.9 | -158.8 | -74.8 | -26.8 | 0 | 0 | 0 | 116.1 | ||
| 858 | L | 51.9 | Low | 54.3 | Low | 141 Ų | 141 | 113 Ų | 113 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -34.1 | 171.8 | -153.8 | 73 | 0 | 0 | 0 | 113.6 | ||
| 859 | A | 53.9 | Low | 56.5 | Low | 60 Ų | 60 | 111.2 Ų | 111.2 | 50% | 0.496 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.3 | -41.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A861 I862 L863 | A859-A861 VanDerWaalsContact C-N 3.29Å; A859-A861 PolarHBondContact O-N 2.97Å; A859-I862 PolarHBondContact O-N 3.15Å; A859-L863 HydrophobicContact CB-CD1 4.38Å; A859-L863 WeakPolarHBondContact O-CB 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.46Å |
| 860 | L | 57 | Low | 58.1 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 49% | 0.492 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.9 | -34.8 | -179.7 | -78.4 | 165.7 | 0 | 0 | 0 | 112.9 | I862 L864 | L860-I862 PolarHBondContact O-N 3.18Å; L860-L864 HydrophobicContact CB-CD1 4.4Å; L860-L864 HydrophobicContact CD2-CD1 4.41Å; L860-L864 HydrophobicContact CD2-CG 4.5Å; L860-L864 WeakPolarHBondContact O-CB 3.02Å; L860-L864 WeakPolarHBondContact O-CG 3.03Å; L860-L864 PolarHBondContact O-N 2.93Å; L860-L864 VanDerWaalsContact O-N 3.11Å |
| 861 | A | 58.5 | Low | 60.3 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.5 | -23.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A859 P865 | A859-A861 VanDerWaalsContact C-N 3.29Å; A859-A861 PolarHBondContact O-N 2.97Å; A861-P865 WeakPolarHBondContact O-CD 3.1Å; A861-P865 WeakPolarHBondContact O-CG 3.42Å |
| 862 | I | 63.8 | Low | 62.5 | Low | 115 Ų | 115 | 104 Ų | 104 | 59% | 0.59 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -99.4 | -39.8 | 179.2 | -57.9 | 176.3 | 0 | 0 | 0 | 110.8 | A859 L860 P865 L866 | A859-I862 PolarHBondContact O-N 3.15Å; L860-I862 PolarHBondContact O-N 3.18Å; I862-P865 WeakPolarHBondContact O-CD 3.47Å; I862-P865 WeakPolarHBondContact O-CG 3.24Å; I862-L866 PolarHBondContact O-N 3.09Å |
| 863 | L | 62.2 | Low | 64.3 | Low | 110 Ų | 110 | 97.1 Ų | 97.1 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.6 | -33.7 | -175.7 | -68.2 | 171.3 | 0 | 0 | 0 | 113.8 | A859 L866 G867 | A859-L863 HydrophobicContact CB-CD1 4.38Å; A859-L863 WeakPolarHBondContact O-CB 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.46Å; L863-L866 PolarHBondContact O-N 3.39Å; L863-G867 PolarHBondContact O-N 2.92Å |
| 864 | L | 69.6 | Low | 65.8 | Low | 117 Ų | 117 | 92.6 Ų | 92.6 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.6 | -51.9 | 177.7 | -77.5 | 167.6 | 0 | 0 | 0 | 113.7 | L860 L866 G867 L868 | L860-L864 HydrophobicContact CB-CD1 4.4Å; L860-L864 HydrophobicContact CD2-CD1 4.41Å; L860-L864 HydrophobicContact CD2-CG 4.5Å; L860-L864 WeakPolarHBondContact O-CB 3.02Å; L860-L864 WeakPolarHBondContact O-CG 3.03Å; L860-L864 PolarHBondContact O-N 2.93Å; L860-L864 VanDerWaalsContact O-N 3.11Å; L864-L866 VanDerWaalsContact C-N 3.34Å; L864-L866 PolarHBondContact O-N 2.03Å; L864-G867 PolarHBondContact O-N 2.79Å; L864-L868 WeakPolarHBondContact O-CB 3.38Å; L864-L868 PolarHBondContact O-N 2.67Å; L864-L868 VanDerWaalsContact O-N 3.08Å |
| 865 | P | 67.4 | Low | 67.1 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -36 | 176.9 | 24.2 | -32.9 | 0 | 0 | 0 | 112.5 | A861 I862 L868 V869 | A861-P865 WeakPolarHBondContact O-CD 3.1Å; A861-P865 WeakPolarHBondContact O-CG 3.42Å; I862-P865 WeakPolarHBondContact O-CD 3.47Å; I862-P865 WeakPolarHBondContact O-CG 3.24Å; P865-L868 PolarHBondContact O-N 3.45Å; P865-V869 WeakPolarHBondContact O-CG2 3.45Å; P865-V869 PolarHBondContact O-N 2.82Å; P865-V869 VanDerWaalsContact O-N 3.09Å |
| 866 | L | 73.7 | Confident | 68.8 | Low | 107 Ų | 107 | 87.9 Ų | 87.9 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -45 | 178.3 | -149.8 | 83.6 | 0 | 0 | 0 | 111.8 | I862 L863 L864 L868 V869 I870 | I862-L866 PolarHBondContact O-N 3.09Å; L863-L866 PolarHBondContact O-N 3.39Å; L864-L866 VanDerWaalsContact C-N 3.34Å; L864-L866 PolarHBondContact O-N 2.03Å; L866-L868 VanDerWaalsContact C-N 3.34Å; L866-L868 PolarHBondContact O-N 3.23Å; L866-V869 PolarHBondContact O-N 2.03Å; L866-I870 WeakPolarHBondContact O-CG1 3.18Å; L866-I870 PolarHBondContact O-N 2.88Å; L866-I870 VanDerWaalsContact O-N 3.13Å |
| 867 | G | 74.9 | Confident | 69.6 | Low | 33 Ų | 33 | 93.2 Ų | 93.2 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L863 L864 I870 V871 | L863-G867 PolarHBondContact O-N 2.92Å; L864-G867 PolarHBondContact O-N 2.79Å; G867-I870 PolarHBondContact O-N 3.31Å; G867-V871 WeakPolarHBondContact O-CG2 3.47Å; G867-V871 PolarHBondContact O-N 3.44Å |
| 868 | L | 78.4 | Confident | 70.3 | Confident | 109 Ų | 109 | 92.6 Ų | 92.6 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 178.7 | -159.3 | 154.3 | 0 | 0 | 0 | 111.7 | L864 P865 L866 V871 L872 | L864-L868 WeakPolarHBondContact O-CB 3.38Å; L864-L868 PolarHBondContact O-N 2.67Å; L864-L868 VanDerWaalsContact O-N 3.08Å; P865-L868 PolarHBondContact O-N 3.45Å; L866-L868 VanDerWaalsContact C-N 3.34Å; L866-L868 PolarHBondContact O-N 3.23Å; L868-V871 PolarHBondContact O-N 2.86Å; L868-L872 HydrophobicContact CD2-CD1 3.63Å; L868-L872 HydrophobicContact CD2-CG 4.11Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 2.93Å |
| 869 | V | 78.9 | Confident | 71.4 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 172.1 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | P865 L866 L872 G873 | P865-V869 WeakPolarHBondContact O-CG2 3.45Å; P865-V869 PolarHBondContact O-N 2.82Å; P865-V869 VanDerWaalsContact O-N 3.09Å; L866-V869 PolarHBondContact O-N 2.03Å; V869-L872 PolarHBondContact O-N 3.33Å; V869-G873 PolarHBondContact O-N 3.38Å |
| 870 | I | 77.3 | Confident | 72.1 | Confident | 110 Ų | 110 | 97.1 Ų | 97.1 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 177.9 | -67.1 | 165 | 0 | 0 | 0 | 111.5 | L866 G867 G873 S874 | L866-I870 WeakPolarHBondContact O-CG1 3.18Å; L866-I870 PolarHBondContact O-N 2.88Å; L866-I870 VanDerWaalsContact O-N 3.13Å; G867-I870 PolarHBondContact O-N 3.31Å; I870-G873 PolarHBondContact O-N 3.49Å; I870-S874 WeakPolarHBondContact O-CB 3.41Å; I870-S874 PolarHBondContact O-N 3.5Å; I870-S874 PolarHBondContact O-OG 2.97Å |
| 871 | V | 79.8 | Confident | 72.4 | Confident | 100 Ų | 100 | 94 Ų | 94 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | G867 L868 S874 G875 | G867-V871 WeakPolarHBondContact O-CG2 3.47Å; G867-V871 PolarHBondContact O-N 3.44Å; L868-V871 PolarHBondContact O-N 2.86Å; V871-S874 WeakPolarHBondContact CA-OG 3.38Å; V871-S874 PolarHBondContact O-OG 2.82Å; V871-G875 PolarHBondContact O-N 2.95Å |
| 872 | L | 82.5 | Confident | 72.5 | Confident | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 174.9 | -71.5 | 176.5 | 0 | 0 | 0 | 112.1 | L868 V869 G875 V876 | L868-L872 HydrophobicContact CD2-CD1 3.63Å; L868-L872 HydrophobicContact CD2-CG 4.11Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 2.93Å; V869-L872 PolarHBondContact O-N 3.33Å; L872-G875 PolarHBondContact O-N 2.9Å; L872-V876 WeakPolarHBondContact O-CG2 3.44Å; L872-V876 PolarHBondContact O-N 3.29Å |
| 873 | G | 79.3 | Confident | 72.5 | Confident | 43 Ų | 43 | 99.3 Ų | 99.3 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V869 I870 V876 Y877 | V869-G873 PolarHBondContact O-N 3.38Å; I870-G873 PolarHBondContact O-N 3.49Å; G873-V876 PolarHBondContact O-N 2.76Å; G873-Y877 WeakPolarHBondContact O-CB 3.16Å; G873-Y877 PolarHBondContact O-N 2.72Å |
| 874 | S | 69.3 | Low | 72.3 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | I870 V871 Y877 I878 | I870-S874 WeakPolarHBondContact O-CB 3.41Å; I870-S874 PolarHBondContact O-N 3.5Å; I870-S874 PolarHBondContact O-OG 2.97Å; V871-S874 WeakPolarHBondContact CA-OG 3.38Å; V871-S874 PolarHBondContact O-OG 2.82Å; S874-Y877 PolarHBondContact O-N 3.22Å; S874-I878 VanDerWaalsContact O-CG1 3.3Å; S874-I878 WeakPolarHBondContact O-CG1 3.13Å; S874-I878 PolarHBondContact O-N 2.81Å |
| 875 | G | 77.3 | Confident | 71.7 | Confident | 39 Ų | 39 | 98.4 Ų | 98.4 | 40% | 0.402 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V871 L872 I878 Y879 | V871-G875 PolarHBondContact O-N 2.95Å; L872-G875 PolarHBondContact O-N 2.9Å; G875-I878 PolarHBondContact O-N 2.95Å; G875-Y879 WeakPolarHBondContact O-CB 3.37Å; G875-Y879 PolarHBondContact O-N 2.94Å |
| 876 | V | 79.9 | Confident | 71 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | L872 G873 Y879 Y880 | L872-V876 WeakPolarHBondContact O-CG2 3.44Å; L872-V876 PolarHBondContact O-N 3.29Å; G873-V876 PolarHBondContact O-N 2.76Å; V876-Y879 PolarHBondContact O-N 2.81Å; V876-Y880 PolarHBondContact O-N 2.58Å |
| 877 | Y | 70.1 | Confident | 69.7 | Low | 161 Ų | 161 | 103.6 Ų | 103.6 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -43.9 | 175.9 | -175 | -97.7 | 0 | 0 | 0 | 112.4 | G873 S874 Y879 Y880 T881 | G873-Y877 WeakPolarHBondContact O-CB 3.16Å; G873-Y877 PolarHBondContact O-N 2.72Å; S874-Y877 PolarHBondContact O-N 3.22Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y879 PolarHBondContact O-N 2.91Å; Y877-Y880 PolarHBondContact O-N 3.34Å; Y877-T881 HydrophobicContact CD1-CG2 4.27Å; Y877-T881 HydrophobicContact CE1-CG2 3.9Å; Y877-T881 HydrophobicContact CE2-CG2 4.48Å; Y877-T881 WeakPolarHBondContact O-CG2 3.3Å; Y877-T881 PolarHBondContact O-N 3.25Å; Y877-T881 PolarHBondContact O-OG1 2.8Å |
| 878 | I | 71.4 | Confident | 68.6 | Low | 103 Ų | 103 | 107.9 Ų | 107.9 | 53% | 0.528 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -38.8 | 175.5 | -69 | 166.5 | 0 | 0 | 0 | 111.1 | S874 G875 T881 K882 | S874-I878 VanDerWaalsContact O-CG1 3.3Å; S874-I878 WeakPolarHBondContact O-CG1 3.13Å; S874-I878 PolarHBondContact O-N 2.81Å; G875-I878 PolarHBondContact O-N 2.95Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 3.33Å; I878-T881 VanDerWaalsContact O-OG1 3.08Å; I878-K882 WeakPolarHBondContact O-CB 3.5Å; I878-K882 PolarHBondContact O-N 3.38Å |
| 879 | Y | 75.3 | Confident | 67 | Low | 154 Ų | 154 | 112.3 Ų | 112.3 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.4 | -46.1 | 173.9 | -177.8 | -98.1 | 0 | 0 | 0 | 112.2 | G875 V876 Y877 K882 L883 | G875-Y879 WeakPolarHBondContact O-CB 3.37Å; G875-Y879 PolarHBondContact O-N 2.94Å; V876-Y879 PolarHBondContact O-N 2.81Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y879 PolarHBondContact O-N 2.91Å; Y879-K882 PolarHBondContact O-N 3.2Å; Y879-L883 HydrophobicContact CE1-CD1 4.13Å; Y879-L883 HydrophobicContact CE2-CD1 4.4Å; Y879-L883 PolarHBondContact O-N 3.43Å |
| 880 | Y | 68 | Low | 64.9 | Low | 142 Ų | 142 | 110.7 Ų | 110.7 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.6 | -44 | 178.9 | -114.3 | -84.7 | 0 | 0 | 0 | 113.1 | V876 Y877 K882 L883 Q884 | V876-Y880 PolarHBondContact O-N 2.58Å; Y877-Y880 PolarHBondContact O-N 3.34Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.29Å; Y880-L883 WeakPolarHBondContact O-CB 3.24Å; Y880-L883 PolarHBondContact O-N 2.85Å; Y880-L883 VanDerWaalsContact O-N 3.14Å; Y880-Q884 PolarHBondContact O-N 3.13Å |
| 881 | T | 63.3 | Low | 62.7 | Low | 30 Ų | 30 | 115.1 Ų | 115.1 | 18% | 0.184 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -65.2 | -36 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | Y877 I878 Q884 G885 | Y877-T881 HydrophobicContact CD1-CG2 4.27Å; Y877-T881 HydrophobicContact CE1-CG2 3.9Å; Y877-T881 HydrophobicContact CE2-CG2 4.48Å; Y877-T881 WeakPolarHBondContact O-CG2 3.3Å; Y877-T881 PolarHBondContact O-N 3.25Å; Y877-T881 PolarHBondContact O-OG1 2.8Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 3.33Å; I878-T881 VanDerWaalsContact O-OG1 3.08Å; T881-Q884 PolarHBondContact O-N 2.95Å; T881-G885 PolarHBondContact O-N 3.28Å |
| 882 | K | 61.1 | Low | 60.6 | Low | 176 Ų | 176 | 116.2 Ų | 116.2 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.9 | -39.6 | 169.1 | -94.9 | -92.7 | 179 | 173.6 | 0 | 112.8 | I878 Y879 Y880 Q884 G885 | I878-K882 WeakPolarHBondContact O-CB 3.5Å; I878-K882 PolarHBondContact O-N 3.38Å; Y879-K882 PolarHBondContact O-N 3.2Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.29Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 3.19Å; K882-G885 PolarHBondContact O-N 3.09Å |
| 883 | L | 63.8 | Low | 58.5 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 63% | 0.634 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.9 | -28.9 | 176.3 | -124.5 | 82 | 0 | 0 | 0 | 112.9 | Y879 Y880 | Y879-L883 HydrophobicContact CE1-CD1 4.13Å; Y879-L883 HydrophobicContact CE2-CD1 4.4Å; Y879-L883 PolarHBondContact O-N 3.43Å; Y880-L883 WeakPolarHBondContact O-CB 3.24Å; Y880-L883 PolarHBondContact O-N 2.85Å; Y880-L883 VanDerWaalsContact O-N 3.14Å |
| 884 | Q | 56.8 | Low | 56.4 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 6.2 | -179.2 | -69.2 | -175.2 | -15.8 | 0 | 0 | 114.4 | Y880 T881 K882 K886 | Y880-Q884 PolarHBondContact O-N 3.13Å; T881-Q884 PolarHBondContact O-N 2.95Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 3.19Å; Q884-K886 VanDerWaalsContact C-N 3.31Å; Q884-K886 PolarHBondContact O-N 3.36Å; Q884-K886 VanDerWaalsContact O-N 3.16Å |
| 885 | G | 56.7 | Low | 54.6 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 16.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | T881 K882 | T881-G885 PolarHBondContact O-N 3.28Å; K882-G885 PolarHBondContact O-N 3.09Å |
| 886 | K | 54 | Low | 52.4 | Low | 178 Ų | 178 | 127.6 Ų | 127.6 | 77% | 0.774 | 69% | 0.692 | S | S | * | * | trans | -100.6 | 129.8 | -179.9 | -71.6 | -178.5 | 178.2 | -179.5 | 0 | 111.9 | Q884 | Q884-K886 VanDerWaalsContact C-N 3.31Å; Q884-K886 PolarHBondContact O-N 3.36Å; Q884-K886 VanDerWaalsContact O-N 3.16Å | ||
| 887 | S | 46.1 | Very low | 49.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -74.5 | 145 | 178.4 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 888 | L | 52.4 | Low | 48.1 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -105.3 | 118.7 | 171.8 | -77.3 | 159.6 | 0 | 0 | 0 | 108.6 | ||
| 889 | F | 43.7 | Very low | 46.8 | Very low | 201 Ų | 201 | 130.7 Ų | 130.7 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | 66.8 | 149 | -170.7 | -63.8 | -92.3 | 0 | 0 | 0 | 116 | ||||
| 890 | G | 34 | Very low | 44.6 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -173 | 138.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 891 | F | 32.7 | Very low | 42.7 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | trans | -156.7 | 129.7 | 173.2 | -102.1 | -73.1 | 0 | 0 | 0 | 109.4 | ||||
| 892 | S | 35.8 | Very low | 41.2 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 58.3 | 135.2 | 165.3 | -53.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 893 | G | 36.8 | Very low | 39.8 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | 177.2 | -162.7 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 894 | S | 36.1 | Very low | 38.3 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | cis | 174.1 | 129.4 | -18.4 | 44.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 895 | H | 31.4 | Very low | 37.2 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 157.4 | 175.9 | -108.5 | -80.9 | 0 | 0 | 0 | 114 | ||||
| 896 | S | 31 | Very low | 35.8 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 169.9 | -169.2 | -40.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 897 | Y | 28.5 | Very low | 34.8 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | -154 | 171.7 | 51.8 | -124.4 | -89.9 | 0 | 0 | 0 | 115.1 | |||||
| 898 | S | 30.7 | Very low | 34.2 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -104.2 | -176.1 | -174.8 | 61 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 899 | P | 45.3 | Very low | 33.7 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | -148.2 | -168 | 14.8 | 45.7 | -24.9 | 0 | 0 | 0 | 118.4 | ||||
| 900 | I | 28.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 74 | 128.9 | 161.6 | -66.3 | 168.5 | 0 | 0 | 0 | 116.4 | ||||
| 901 | T | 29.4 | Very low | 33 | Very low | 125 Ų | 125 | 145 Ų | 145 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | cis | -154.6 | 145.4 | -18.6 | 23.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 902 | V | 30.8 | Very low | 33.1 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | -139.7 | 132 | 171.7 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 903 | E | 31.8 | Very low | 33 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -99.3 | 178.8 | 168.4 | -68 | 176.9 | 115.8 | 0 | 0 | 110.3 | ||||
| 904 | S | 31.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 70.8 | 101.5 | -179.5 | 63 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 905 | D | 33.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -44.4 | 160.2 | 150.1 | -49.3 | -92.9 | 0 | 0 | 0 | 113.2 | ||||
| 906 | F | 29.2 | Very low | 32.6 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | -157.4 | 138.8 | 116.5 | -115.2 | -76 | 0 | 0 | 0 | 110.8 | |||||
| 907 | S | 32.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -149 | 118.8 | 170.2 | -78.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 908 | N | 33.5 | Very low | 32.9 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -77.6 | 135.5 | 177.9 | -168 | 16.4 | 0 | 0 | 0 | 109.3 | L910 | N908-L910 PolarHBondContact OD1-N 2.72Š| ||
| 909 | P | 42.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -147.8 | 154.7 | 99.3 | 38.5 | -24.1 | 0 | 0 | 0 | 114.6 | |||||
| 910 | L | 30.7 | Very low | 32.3 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | -167.6 | 131.8 | 141.8 | -113.9 | 162 | 0 | 0 | 0 | 113.1 | N908 | N908-L910 PolarHBondContact OD1-N 2.72Š| ||
| 911 | Y | 31.2 | Very low | 32.7 | Very low | 234 Ų | 234 | 148.5 Ų | 148.5 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | -161.6 | 118.9 | 121.9 | -111.3 | -71 | 0 | 0 | 0 | 108.7 | |||||
| 912 | E | 34.1 | Very low | 32.9 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 155.6 | 170.5 | -104.8 | -175.6 | 156.1 | 0 | 0 | 110.4 | ||||
| 913 | A | 34.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 152 Ų | 152 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 143.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 914 | G | 31.1 | Very low | 33.3 | Very low | 80 Ų | 80 | 150.7 Ų | 150.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -98.1 | 135.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 915 | D | 29.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -143.7 | 174.1 | 151.7 | -155 | -18.4 | 0 | 0 | 0 | 108.9 | ||||
| 916 | T | 34.4 | Very low | 33.4 | Very low | 111 Ų | 111 | 153 Ų | 153 | 68% | 0.681 | 81% | 0.809 | S | S | * | * | trans | -87.3 | 148.9 | -152.2 | 47.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 917 | R | 32.4 | Very low | 33.6 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | 175 | 117.8 | 112.6 | -94.7 | 168.1 | 174.5 | 169 | 2.5 | 116.9 | |||||
| 918 | E | 33.3 | Very low | 33.7 | Very low | 128 Ų | 128 | 152 Ų | 152 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | 41.2 | 148.8 | 128.2 | -54.6 | 177.8 | 97.3 | 0 | 0 | 124.8 | |||||
| 919 | Y | 31.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 152 Ų | 152 | 74% | 0.737 | 80% | 0.803 | S | S | * | * | trans | 78.5 | 141.7 | 163 | -45.2 | -62.9 | 0 | 0 | 0 | 117.7 | ||||
| 920 | E | 32.3 | Very low | 33.1 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | cis | -150.6 | -179 | -3.6 | -135.3 | -174.3 | 152.2 | 0 | 0 | 114.2 | ||||
| 921 | V | 37.6 | Very low | 33.3 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 144.5 | -164.5 | 171.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 922 | S | 32.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 173.2 | 140.1 | 136.8 | 33.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 923 | I | 38.6 | Very low | 33.4 | Very low | 234 Ų | 234 | 147.6 Ų | 147.6 | 100% | 1.2 | 81% | 0.807 | S | S | * | * | cis | -134.2 | 0 | -11.3 | -95 | 158.5 | 0 | 0 | 0 | 107.3 |
Retrieved 923 of 923 residues in 2587 ms
(Link to these results)