| 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 | 47.5 | Very low | 42.8 | Very low | 236 Ų | 236 | 139.5 Ų | 139.5 | 100% | 1.163 | 73% | 0.729 | S | S | * | * | 0 | 87.4 | 0 | -69.8 | -169.5 | -75.6 | 0 | 0 | 109.8 | |||||
| 2 | F | 41.7 | Very low | 42.7 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | -151.1 | 11.1 | 174.3 | -120 | -76.9 | 0 | 0 | 0 | 115.8 | ||||
| 3 | E | 41.9 | Very low | 42.8 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -121.4 | 3.4 | -166.3 | -150.2 | 149.9 | -146.5 | 0 | 0 | 114.1 | ||
| 4 | I | 42.7 | Very low | 43 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -97.5 | -24.1 | -179.9 | -64 | 173.2 | 0 | 0 | 0 | 111.8 | R6 | I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.97Å |
| 5 | S | 42.4 | Very low | 42.8 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -77.7 | -8.6 | -172.3 | -48.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 6 | R | 46.1 | Very low | 43.1 | Very low | 228 Ų | 228 | 129.5 Ų | 129.5 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -86.8 | -31 | -179.3 | -74.4 | -171.5 | 174.2 | -171.4 | -1.1 | 113.7 | I4 | I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.97Å |
| 7 | T | 43.1 | Very low | 43.1 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76 | -30 | -175.9 | -2.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 8 | L | 41.5 | Very low | 43.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 59% | 0.586 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.5 | -37.1 | -178.2 | -89.8 | 158.1 | 0 | 0 | 0 | 113.9 | A10 A11 L12 | L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.27Å; L8-A11 PolarHBondContact O-N 3.17Å; L8-L12 PolarHBondContact O-N 3Å |
| 9 | N | 40.1 | Very low | 43.1 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 57% | 0.572 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.1 | -31.6 | 179.5 | -83.3 | -10.3 | 0 | 0 | 0 | 113 | L12 L13 | N9-L12 PolarHBondContact O-N 3.28Å; N9-L13 WeakPolarHBondContact O-CD1 3.32Å; N9-L13 PolarHBondContact O-N 3.27Å |
| 10 | A | 43.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 60% | 0.603 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.3 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 | L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.27Å |
| 11 | A | 40.3 | Very low | 43.2 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.9 | -33.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L8 | L8-A11 PolarHBondContact O-N 3.17Å |
| 12 | L | 41.3 | Very low | 42.9 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 59% | 0.586 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.6 | -42.8 | -178.2 | -77.7 | 165 | 0 | 0 | 0 | 113.1 | L8 N9 S14 N15 | L8-L12 PolarHBondContact O-N 3Å; N9-L12 PolarHBondContact O-N 3.28Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.6Å; L12-N15 PolarHBondContact O-N 2.78Å; L12-N15 VanDerWaalsContact O-N 3.17Å |
| 13 | L | 43.4 | Very low | 43 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.3 | -31.6 | 178.8 | -90.3 | 78.1 | 0 | 0 | 0 | 113 | N9 N15 E16 H17 | N9-L13 WeakPolarHBondContact O-CD1 3.32Å; N9-L13 PolarHBondContact O-N 3.27Å; L13-N15 PolarHBondContact O-N 3.36Å; L13-E16 PolarHBondContact O-N 3.38Å; L13-H17 PolarHBondContact O-N 3.07Å |
| 14 | S | 45.8 | Very low | 42.8 | Very low | 86 Ų | 86 | 124 Ų | 124 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62 | -30.6 | 177.3 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | L12 | L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.6Å |
| 15 | N | 41.1 | Very low | 42.7 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -80.9 | -33.9 | -176.7 | -122 | -81 | 0 | 0 | 0 | 113.5 | L12 L13 K19 | L12-N15 PolarHBondContact O-N 2.78Å; L12-N15 VanDerWaalsContact O-N 3.17Å; L13-N15 PolarHBondContact O-N 3.36Å; N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.39Å |
| 16 | E | 46.3 | Very low | 42.5 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 176.6 | -81.6 | -62.5 | 106.2 | 0 | 0 | 112 | L13 L18 K19 M20 | L13-E16 PolarHBondContact O-N 3.38Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.89Å; E16-K19 PolarHBondContact O-N 3.31Å; E16-K19 VanDerWaalsContact O-N 3.16Å; E16-M20 PolarHBondContact O-N 3.5Å |
| 17 | H | 43 | Very low | 42.1 | Very low | 129 Ų | 129 | 123 Ų | 123 | 60% | 0.597 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.7 | -35 | -178.4 | -143.3 | -98.3 | 0 | 0 | 0 | 112.3 | L13 M21 | L13-H17 PolarHBondContact O-N 3.07Å; H17-M21 PolarHBondContact O-N 3.48Å |
| 18 | L | 45.3 | Very low | 41.9 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.5 | -34.9 | 176.8 | -153.1 | 69 | 0 | 0 | 0 | 112.4 | E16 M20 A22 | E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.89Å; L18-M20 VanDerWaalsContact C-N 3.32Å; L18-A22 PolarHBondContact O-N 2.91Å |
| 19 | K | 42.5 | Very low | 41.5 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 50% | 0.5 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -70.2 | -26 | 173.1 | -72 | 173.8 | -174.4 | 173.3 | 0 | 113.4 | N15 E16 | N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.39Å; E16-K19 PolarHBondContact O-N 3.31Å; E16-K19 VanDerWaalsContact O-N 3.16Å |
| 20 | M | 43.3 | Very low | 41.1 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 61% | 0.606 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.2 | -40 | 177.1 | -160.2 | 174.2 | -67 | 0 | 0 | 111.9 | E16 L18 A22 R23 | E16-M20 PolarHBondContact O-N 3.5Å; L18-M20 VanDerWaalsContact C-N 3.32Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.83Å; M20-R23 PolarHBondContact O-N 3.34Å |
| 21 | M | 43.7 | Very low | 40.5 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -65.5 | -32.5 | 175.6 | -72.2 | -173 | 168.2 | 0 | 0 | 113.1 | H17 R23 | H17-M21 PolarHBondContact O-N 3.48Å; M21-R23 PolarHBondContact O-N 3.37Å |
| 22 | A | 41.1 | Very low | 40.1 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -14.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L18 M20 | L18-A22 PolarHBondContact O-N 2.91Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.83Å |
| 23 | R | 43.3 | Very low | 39.7 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 0.1 | -176 | -113.1 | -168 | -77.2 | -152.2 | 2.3 | 116 | M20 M21 | M20-R23 PolarHBondContact O-N 3.34Å; M21-R23 PolarHBondContact O-N 3.37Å |
| 24 | Y | 39.3 | Very low | 39.1 | Very low | 218 Ų | 218 | 126.1 Ų | 126.1 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -101.1 | -4.2 | 176.1 | -107.3 | -86 | 0 | 0 | 0 | 114.7 | ||
| 25 | G | 39.8 | Very low | 38.5 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -90.4 | 6.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 26 | Q | 38.7 | Very low | 37.9 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | -145.1 | 58.8 | -165.2 | -159.5 | 167.6 | 7.9 | 0 | 0 | 113.8 | ||||
| 27 | L | 38.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -150.7 | 55.8 | 172.2 | -119.1 | 174.7 | 0 | 0 | 0 | 113.3 | ||||
| 28 | S | 37.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -151.1 | 61.9 | 172 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 29 | G | 33.2 | Very low | 36.8 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -172.2 | 151.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 30 | L | 32.4 | Very low | 36.2 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | 72.4 | 135.1 | -165.5 | -55.6 | 171.1 | 0 | 0 | 0 | 113.7 | ||||
| 31 | A | 31.7 | Very low | 35.6 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | cis | -156.2 | 153.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 32 | A | 31.7 | Very low | 35 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -153.3 | 99.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 33 | S | 33.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -98.3 | 127.7 | -176.3 | 52 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 34 | G | 29.4 | Very low | 34.7 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -131.3 | 115.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 35 | V | 33.3 | Very low | 34.3 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -53.6 | 146.6 | -178.3 | -74.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 36 | G | 28.6 | Very low | 33.9 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 172.5 | 77.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 37 | S | 30.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | 41.7 | 132.9 | 149.5 | -53.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 38 | V | 31.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 177.1 | 159.6 | -100.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 39 | P | 50.4 | Low | 33 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | -141.3 | 175.4 | 19 | 42.1 | -22.1 | 0 | 0 | 0 | 119.6 | ||||
| 40 | E | 29.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | 60.1 | 137.3 | 146.5 | -73.4 | 166.4 | 124.3 | 0 | 0 | 121.3 | ||||
| 41 | T | 29.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | -163.8 | 149.2 | 66.8 | 28.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 42 | H | 31 | Very low | 34.2 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 44.8 | 112.1 | 150.1 | -70.6 | -72.7 | 0 | 0 | 0 | 124.2 | ||||
| 43 | S | 29.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -79 | -171.3 | 137.4 | -23.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | P | 48.4 | Very low | 35.1 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -131.9 | -149.7 | 27.7 | 23.2 | 7 | 0 | 0 | 0 | 112.2 | ||||
| 45 | L | 31.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | cis | -154 | 158 | 16.7 | -75.2 | 165.2 | 0 | 0 | 0 | 111.7 | ||||
| 46 | F | 32.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 42.1 | 155.8 | 144.4 | -70.4 | -54.5 | 0 | 0 | 0 | 123.2 | ||||
| 47 | S | 30.5 | Very low | 35.2 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | cis | -152.5 | 139.5 | -0.6 | -109.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 48 | R | 31.8 | Very low | 35.1 | Very low | 219 Ų | 219 | 135.6 Ų | 135.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 92.3 | 125.4 | 67.1 | -146.1 | 179.9 | -163.1 | -170.1 | 3.1 | 114 | |||||
| 49 | D | 32.7 | Very low | 35 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -82.1 | -155.7 | -173.4 | -41 | -100.5 | 0 | 0 | 0 | 112.5 | ||||
| 50 | P | 59.2 | Low | 34 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -145.5 | -166.4 | -0.7 | 32.3 | -5.5 | 0 | 0 | 0 | 118 | ||||
| 51 | L | 31.4 | Very low | 34 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 84.5 | 149.5 | 162 | -62.4 | 140.2 | 0 | 0 | 0 | 117.2 | ||||
| 52 | S | 30.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | cis | -147.2 | 179.7 | 6.8 | -150.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 53 | S | 33.4 | Very low | 34.6 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -103.2 | -154.6 | -170.3 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 54 | P | 50.8 | Low | 34.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | -124.1 | -178.6 | -85.5 | 38.9 | -23.8 | 0 | 0 | 0 | 114.3 | |||||
| 55 | A | 31.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -144.9 | 146.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 56 | Q | 31.3 | Very low | 33.6 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -114.5 | 142.6 | 172 | -74.9 | -170.5 | -2.5 | 0 | 0 | 111.4 | ||||
| 57 | M | 30.9 | Very low | 33.3 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -158.6 | 144.8 | 147.3 | -104.7 | -179.9 | -179.5 | 0 | 0 | 108.4 | ||||
| 58 | G | 28.8 | Very low | 33.2 | Very low | 64 Ų | 64 | 145 Ų | 145 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | cis | 137.9 | 48.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 59 | Y | 30.7 | Very low | 33 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -121 | 143.2 | -179.8 | -77.4 | -78 | 0 | 0 | 0 | 113.2 | ||||
| 60 | R | 29.1 | Very low | 32.7 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -127.9 | 130.5 | -161.5 | -176.5 | -171.6 | -172.1 | -137.8 | 7.2 | 109 | ||||
| 61 | S | 29.7 | Very low | 31.2 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -65.7 | 155.1 | 172.2 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 62 | P | 41.4 | Very low | 30.9 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | trans | -125.9 | 155.3 | 133.1 | 15.9 | 3 | 0 | 0 | 0 | 111.9 | ||||
| 63 | L | 32.3 | Very low | 30.8 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | trans | -76.9 | 153.5 | 164.1 | -69.5 | 90.3 | 0 | 0 | 0 | 110 | ||||
| 64 | G | 27.3 | Very low | 30.5 | Very low | 82 Ų | 82 | 157.7 Ų | 157.7 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | -154.7 | 104 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | S | 29.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 158.6 Ų | 158.6 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -111.1 | 127.5 | -176.1 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 66 | T | 31.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 159.7 Ų | 159.7 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -139.7 | 127.5 | 165 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 67 | E | 25.9 | Very low | 29.5 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -100.5 | 179.6 | 177 | -163.3 | 175.7 | 109 | 0 | 0 | 109.9 | ||||
| 68 | T | 29.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | 69 | 146.2 | -179.8 | 11.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 69 | Q | 26.8 | Very low | 29.1 | Very low | 180 Ų | 180 | 162.4 Ų | 162.4 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | cis | -148.2 | 146.2 | 25.1 | -171.3 | 173.3 | 4.9 | 0 | 0 | 113.9 | ||||
| 70 | W | 26.4 | Very low | 28.9 | Very low | 233 Ų | 233 | 154.7 Ų | 154.7 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 149.3 | 171.9 | -66.6 | 88.5 | 0 | 0 | 0 | 112.3 | ||||
| 71 | R | 27.3 | Very low | 28.7 | Very low | 247 Ų | 247 | 156 Ų | 156 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -140.7 | 127.3 | 157.8 | -125.4 | 178.1 | -177.3 | -177.8 | 0 | 111.7 | ||||
| 72 | Q | 26.1 | Very low | 28.5 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -89.9 | 148.3 | 173.7 | -67.5 | 151.9 | -77.5 | 0 | 0 | 110.2 | ||||
| 73 | A | 28.1 | Very low | 27.9 | Very low | 93 Ų | 93 | 157.8 Ų | 157.8 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -153.6 | 89.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 74 | E | 27.8 | Very low | 27.7 | Very low | 185 Ų | 185 | 159.8 Ų | 159.8 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | 68.5 | 108.8 | 91.5 | -71.8 | -164.6 | 104.3 | 0 | 0 | 113.4 | |||||
| 75 | L | 31 | Very low | 27.7 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.5 | 163.8 | -70.7 | 159.7 | 0 | 0 | 0 | 109.5 | ||
| 76 | P | 31.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 162.2 Ų | 162.2 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | -102.1 | 132.7 | 127.8 | -19.2 | 34.3 | 0 | 0 | 0 | 111.6 | |||
| 77 | Q | 27.9 | Very low | 27.4 | Very low | 152 Ų | 152 | 162.7 Ų | 162.7 | 71% | 0.71 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 151.1 | 160.9 | -58.9 | 179 | 16 | 0 | 0 | 109 | ||
| 78 | L | 29 | Very low | 27.4 | Very low | 172 Ų | 172 | 160.6 Ų | 160.6 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | -146.7 | 142 | 143.2 | -115.1 | 174.3 | 0 | 0 | 0 | 109.9 | ||||
| 79 | Q | 24.2 | Very low | 27.4 | Very low | 170 Ų | 170 | 163 Ų | 163 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -97.2 | 152.2 | -168.1 | -65.3 | 149.2 | -85.4 | 0 | 0 | 112.1 | ||||
| 80 | G | 24.8 | Very low | 27.6 | Very low | 62 Ų | 62 | 160.6 Ų | 160.6 | 64% | 0.639 | 83% | 0.832 | S | S | * | * | trans | 102.6 | 107 | 137.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 81 | W | 24.6 | Very low | 27.6 | Very low | 267 Ų | 267 | 158.5 Ų | 158.5 | 100% | 1.011 | 83% | 0.829 | S | S | * | * | -144.5 | 150.9 | 101.2 | -93.7 | -41 | 0 | 0 | 0 | 111.1 | |||||
| 82 | A | 26.6 | Very low | 27.6 | Very low | 84 Ų | 84 | 154.9 Ų | 154.9 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | trans | -109.9 | 169.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 83 | E | 28.6 | Very low | 27.7 | Very low | 185 Ų | 185 | 153.1 Ų | 153.1 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | 56.3 | 96.7 | 166.1 | -59.6 | -168 | 100.3 | 0 | 0 | 118 | ||||
| 84 | K | 28.3 | Very low | 27.8 | Very low | 214 Ų | 214 | 155.1 Ų | 155.1 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | -155 | 114.2 | 109 | -104.3 | 153.3 | -170.3 | 172.9 | 0 | 110 | |||||
| 85 | G | 26.7 | Very low | 27.8 | Very low | 77 Ų | 77 | 151.5 Ų | 151.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -81.5 | 139.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 86 | L | 26 | Very low | 27.7 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -147.7 | 139.6 | 154.3 | -127.3 | 151.3 | 0 | 0 | 0 | 110.9 | ||||
| 87 | L | 28.6 | Very low | 27.5 | Very low | 158 Ų | 158 | 154 Ų | 154 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -66.9 | 137.8 | -177 | -150.1 | 76.2 | 0 | 0 | 0 | 111.3 | ||||
| 88 | T | 27.1 | Very low | 27.4 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -165.3 | 136.4 | 147.5 | 6.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | Q | 27.7 | Very low | 27.3 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 142.9 | 164 | -63.4 | -174 | 15.1 | 0 | 0 | 109.2 | K91 | Q89-K91 PolarHBondContact O-N 3.17Š|
| 90 | P | 31.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 121.4 | 166.6 | 28.4 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 91 | K | 27.3 | Very low | 27.8 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.7 | 179.3 | -71.5 | 175.3 | 175.8 | 174.6 | 0 | 111.3 | Q89 | Q89-K91 PolarHBondContact O-N 3.17Š|
| 92 | M | 26.6 | Very low | 28 | Very low | 171 Ų | 171 | 146 Ų | 146 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126.4 | 151.2 | -71.9 | -101.4 | -71.3 | 0 | 0 | 108.4 | ||
| 93 | I | 28.5 | Very low | 28.1 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 116.4 | 168.3 | -62 | 179.1 | 0 | 0 | 0 | 107.9 | ||
| 94 | I | 30 | Very low | 28 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | -110.4 | 126.9 | 164.2 | -62.6 | 173.9 | 0 | 0 | 0 | 106 | ||||
| 95 | S | 28.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -121.9 | 89.9 | 175 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 96 | N | 27.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 139.2 | 154.3 | -82.7 | 36.9 | 0 | 0 | 0 | 108.3 | ||||
| 97 | M | 28.7 | Very low | 28.8 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -144.2 | 111.2 | 156.3 | -103.5 | 175.3 | 172.9 | 0 | 0 | 108.7 | ||||
| 98 | E | 25 | Very low | 28.7 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -98.9 | 163.9 | 165.8 | -70 | 173.8 | 76.5 | 0 | 0 | 109.6 | ||||
| 99 | A | 26.7 | Very low | 28.6 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 130.7 | 153.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 100 | P | 32.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -125.5 | -177.7 | -26.1 | 31.2 | -12.6 | 0 | 0 | 0 | 112.3 | ||||
| 101 | V | 28.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 130 Ų | 130 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -122.2 | 139.5 | 172.3 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 102 | T | 27.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -165.9 | 111.3 | 161 | 164.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 103 | N | 28.7 | Very low | 28.8 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 54.1 | 135.7 | 146.1 | -54.8 | -30.8 | 0 | 0 | 0 | 121.9 | ||||
| 104 | G | 27.6 | Very low | 28.6 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -90.1 | -149.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 105 | P | 41.3 | Very low | 29.8 | Very low | 119 Ų | 119 | 120 Ų | 120 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -144.3 | -177.3 | 37.1 | 44.2 | -25.9 | 0 | 0 | 0 | 117.7 | ||||
| 106 | S | 30 | Very low | 29.8 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 67.6 | 119.8 | 148.9 | -60.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 107 | G | 25.6 | Very low | 30 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | 129.7 | 118.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 108 | G | 26.4 | Very low | 30 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 101.9 | 110 | 137.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 109 | G | 25.7 | Very low | 30.4 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | 89 | 99.8 | 117.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 110 | N | 27.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 49.3 | 133.7 | 130.2 | -75.2 | 11.3 | 0 | 0 | 0 | 124.8 | ||||
| 111 | T | 28.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 66.7 | 155.4 | 139.9 | 55.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 112 | A | 29.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 119.2 Ų | 119.2 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | cis | -168.6 | 167.9 | -23.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 113 | N | 30.7 | Very low | 31.2 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | 64.5 | 140.7 | 160.9 | -58.3 | -17.6 | 0 | 0 | 0 | 120.2 | ||||
| 114 | G | 25.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -107.9 | -146.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 115 | P | 53.5 | Low | 31.9 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | cis | -126.3 | -175.9 | -12.4 | 42.3 | -28.4 | 0 | 0 | 0 | 112.2 | ||||
| 116 | T | 29 | Very low | 31.7 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 179.6 | 168.1 | 135.9 | 23.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 117 | T | 31.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -85.1 | 155.8 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 118 | N | 30.1 | Very low | 32.4 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -173.9 | 176.8 | 103.3 | -152.4 | -7.4 | 0 | 0 | 0 | 111.9 | |||||
| 119 | S | 32 | Very low | 32.7 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | trans | -116.8 | 148.4 | -176.3 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 120 | R | 33.1 | Very low | 33.4 | Very low | 248 Ų | 248 | 128.3 Ų | 128.3 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | 175 | 157.8 | 132.8 | -91.5 | 156 | -162.6 | -170 | 5.1 | 109.2 | ||||
| 121 | G | 31.1 | Very low | 34 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -113.2 | 167.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 122 | C | 29.7 | Very low | 35 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -130.1 | 135 | 168.4 | -64 | 0 | 0 | 0 | 0 | 108.9 | S124 | C122-S124 PolarHBondContact O-N 2.99Š| ||
| 123 | P | 38.4 | Very low | 36.1 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -84.9 | 107.8 | 174.5 | 32.1 | -30.8 | 0 | 0 | 0 | 110.9 | ||||
| 124 | S | 30.9 | Very low | 37.2 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | -83.8 | 151.6 | 170.4 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | C122 | C122-S124 PolarHBondContact O-N 2.99Š| ||
| 125 | P | 40.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -62 | 152.6 | -177 | -22.9 | 34 | 0 | 0 | 0 | 113.7 | Q127 | P125-Q127 PolarHBondContact O-N 3.24Š| ||
| 126 | M | 37.4 | Very low | 39.7 | Very low | 173 Ų | 173 | 120.6 Ų | 120.6 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | trans | -64.2 | 92 | 169.9 | -82.5 | 178.3 | 57.6 | 0 | 0 | 110.9 | T128 | M126-T128 HydrophobicContact CE-CG2 4.02Å; M126-T128 PolarHBondContact O-N 2.82Å; M126-T128 VanDerWaalsContact O-N 3.11Å | ||
| 127 | Q | 33 | Very low | 42.3 | Very low | 193 Ų | 193 | 114.3 Ų | 114.3 | 90% | 0.902 | 67% | 0.668 | S | S | * | * | trans | -76.1 | 92.5 | 163 | -172.6 | 168.9 | 87.3 | 0 | 0 | 108.2 | P125 G129 | P125-Q127 PolarHBondContact O-N 3.24Å; Q127-G129 PolarHBondContact O-N 3.09Å | ||
| 128 | T | 38 | Very low | 45.1 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | trans | -70.8 | 76.2 | 174.2 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | M126 | M126-T128 HydrophobicContact CE-CG2 4.02Å; M126-T128 PolarHBondContact O-N 2.82Å; M126-T128 VanDerWaalsContact O-N 3.11Å | ||
| 129 | G | 32.1 | Very low | 47.9 | Very low | 46 Ų | 46 | 103.2 Ų | 103.2 | 47% | 0.474 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 152.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q127 T131 | Q127-G129 PolarHBondContact O-N 3.09Å; G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 VanDerWaalsContact O-N 3.1Å |
| 130 | P | 40.5 | Very low | 50.6 | Low | 131 Ų | 131 | 100.7 Ų | 100.7 | 85% | 0.851 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.6 | 179.9 | 25.4 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 131 | T | 38.4 | Very low | 53.3 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 143.8 | 168.9 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | G129 D133 | G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 VanDerWaalsContact O-N 3.1Å; T131-D133 PolarHBondContact O-N 3.42Å |
| 132 | N | 49.8 | Very low | 56.1 | Low | 141 Ų | 141 | 87.6 Ų | 87.6 | 75% | 0.754 | 52% | 0.515 | S | S | * | . | trans | -72.2 | 58.3 | 178.5 | -75.3 | -86 | 0 | 0 | 0 | 111.8 | D134 | N132-D134 VanDerWaalsContact C-N 3.32Š| ||
| 133 | D | 52.1 | Low | 58.7 | Low | 47 Ų | 47 | 88.6 Ų | 88.6 | 25% | 0.251 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.1 | -176.3 | -117.1 | -86.8 | 0 | 0 | 0 | 113.5 | T131 S135 K136 T137 | T131-D133 PolarHBondContact O-N 3.42Å; D133-S135 PolarHBondContact O-N 3.25Å; D133-K136 PolarHBondContact O-N 3.36Å; D133-K136 VanDerWaalsContact OD1-CD 3.3Å; D133-K136 WeakPolarHBondContact OD1-CD 3.5Å; D133-K136 WeakPolarHBondContact OD1-CE 3.49Å; D133-K136 WeakPolarHBondContact OD1-CG 3.42Å; D133-K136 IonicContact OD1-NZ 2.92Å; D133-K136 PolarHBondContact OD1-NZ 3.44Å; D133-K136 IonicContact OD2-NZ 2.7Å; D133-K136 PolarHBondContact OD2-NZ 2.65Å; D133-T137 PolarHBondContact O-N 3.46Å |
| 134 | D | 55.7 | Low | 61 | Low | 106 Ų | 106 | 82.3 Ų | 82.3 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -53.4 | -23.9 | 168.2 | -55.4 | -70.4 | 0 | 0 | 0 | 112.8 | N132 K136 T137 N138 | N132-D134 VanDerWaalsContact C-N 3.32Å; D134-K136 VanDerWaalsContact C-N 3.25Å; D134-K136 PolarHBondContact O-N 3.31Å; D134-T137 WeakPolarHBondContact CA-OG1 3.4Å; D134-T137 PolarHBondContact O-OG1 3.04Å; D134-N138 WeakPolarHBondContact O-CB 3.49Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.03Å |
| 135 | S | 60.1 | Low | 63.5 | Low | 53 Ų | 53 | 77.5 Ų | 77.5 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.6 | -6 | 175.2 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | D133 | D133-S135 PolarHBondContact O-N 3.25Å |
| 136 | K | 70.4 | Confident | 65.5 | Low | 99 Ų | 99 | 77 Ų | 77 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -105.9 | -33.3 | 174.3 | -52.9 | -158.6 | -158.3 | 110 | 0 | 112.9 | D133 D134 P188 A191 Y212 | D133-K136 PolarHBondContact O-N 3.36Å; D133-K136 VanDerWaalsContact OD1-CD 3.3Å; D133-K136 WeakPolarHBondContact OD1-CD 3.5Å; D133-K136 WeakPolarHBondContact OD1-CE 3.49Å; D133-K136 WeakPolarHBondContact OD1-CG 3.42Å; D133-K136 IonicContact OD1-NZ 2.92Å; D133-K136 PolarHBondContact OD1-NZ 3.44Å; D133-K136 IonicContact OD2-NZ 2.7Å; D133-K136 PolarHBondContact OD2-NZ 2.65Å; D134-K136 VanDerWaalsContact C-N 3.25Å; D134-K136 PolarHBondContact O-N 3.31Å; K136-P188 HydrophobicContact CB-CB 3.98Å; K136-A191 WeakPolarHBondContact O-CB 3.5Å; K136-Y212 HydrophobicContact CB-CE1 4.3Å; K136-Y212 WeakPolarHBondContact O-CD1 3.47Å; K136-Y212 WeakPolarHBondContact O-CE1 3.48Å |
| 137 | T | 84.4 | Confident | 67.7 | Low | 13 Ų | 13 | 73.5 Ų | 73.5 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 174.2 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | D133 D134 N184 Y185 P188 | D133-T137 PolarHBondContact O-N 3.46Å; D134-T137 WeakPolarHBondContact CA-OG1 3.4Å; D134-T137 PolarHBondContact O-OG1 3.04Å; T137-N184 WeakPolarHBondContact CB-OD1 3.3Å; T137-N184 PolarHBondContact O-OD1 3.07Å; T137-N184 PolarHBondContact OG1-OD1 3.07Å; T137-N184 VanDerWaalsContact OG1-OD1 3.1Å; T137-Y185 WeakPolarHBondContact CB-O 3.3Å; T137-Y185 WeakPolarHBondContact CG2-O 3.49Å; T137-Y185 PolarHBondContact O-N 3.03Å; T137-Y185 VanDerWaalsContact O-N 3.12Å; T137-P188 HydrophobicContact CG2-CB 3.89Å; T137-P188 HydrophobicContact CG2-CG 4.34Å |
| 138 | N | 88.9 | Confident | 70.1 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127 | -179.5 | -82.3 | -86.1 | 0 | 0 | 0 | 112.4 | D134 N184 Y212 A213 | D134-N138 WeakPolarHBondContact O-CB 3.49Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.03Å; N138-N184 WeakPolarHBondContact CA-OD1 3.36Å; N138-N184 PolarHBondContact N-OD1 3.46Å; N138-N184 VanDerWaalsContact N-OD1 3.15Å; N138-N184 PolarHBondContact ND2-OD1 2.93Å; N138-N184 PolarHBondContact OD1-OD1 3.34Å; N138-Y212 CarbonylContact O-C 3.51Å; N138-Y212 WeakPolarHBondContact O-CA 2.95Å; N138-A213 HydrophobicContact CB-CB 4.08Å; N138-A213 PolarHBondContact O-N 2.82Å |
| 139 | L | 89.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.3 | 175.3 | -57.1 | -169.7 | 0 | 0 | 0 | 112.5 | F182 V183 Y185 A191 A194 I195 V210 S211 Y212 | L139-F182 WeakPolarHBondContact O-CA 3.25Å; L139-V183 PolarHBondContact N-O 3.11Å; L139-V183 PolarHBondContact O-N 3.46Å; L139-Y185 HydrophobicContact CD1-CD2 4.22Å; L139-Y185 HydrophobicContact CD1-CE2 3.73Å; L139-Y185 HydrophobicContact CG-CD2 4.45Å; L139-Y185 HydrophobicContact CG-CE2 4.39Å; L139-A191 HydrophobicContact CD1-CB 4.36Å; L139-A191 HydrophobicContact CD2-CB 4Å; L139-A191 HydrophobicContact CG-CB 4.11Å; L139-A194 HydrophobicContact CD1-CB 3.93Å; L139-I195 HydrophobicContact CD1-CG1 4.17Å; L139-I195 HydrophobicContact CD2-CD1 3.61Å; L139-I195 HydrophobicContact CD2-CG1 3.75Å; L139-V210 HydrophobicContact CD1-CG1 3.78Å; L139-S211 WeakPolarHBondContact CA-O 3.48Å; L139-Y212 HydrophobicContact CD2-CD1 3.75Å; L139-Y212 HydrophobicContact CD2-CE1 4.17Å; L139-Y212 HydrophobicContact CD2-CG 4.45Å |
| 140 | I | 89.6 | Confident | 75 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.1 | 165.7 | -172 | 176.8 | 0 | 0 | 0 | 109.6 | F182 S211 A213 | I140-F182 HydrophobicContact CB-CD1 4Å; I140-F182 HydrophobicContact CB-CE1 3.91Å; I140-F182 HydrophobicContact CD1-CE1 3.73Å; I140-F182 HydrophobicContact CD1-CZ 3.93Å; I140-F182 HydrophobicContact CG1-CD1 4.08Å; I140-F182 HydrophobicContact CG1-CE1 3.75Å; I140-F182 HydrophobicContact CG1-CZ 4.26Å; I140-S211 WeakPolarHBondContact CG2-OG 3.46Å; I140-S211 PolarHBondContact N-O 3.3Å; I140-S211 PolarHBondContact O-N 3.18Å; I140-S211 VanDerWaalsContact O-N 3.11Å; I140-A213 HydrophobicContact CB-CB 3.94Å; I140-A213 HydrophobicContact CG2-CB 4.32Å |
| 141 | V | 89.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.3 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | L144 F153 F157 Y180 G181 V183 I208 K209 V210 | V141-L144 HydrophobicContact CB-CD1 4.42Å; V141-L144 HydrophobicContact CG1-CD1 4.28Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.01Å; V141-F153 HydrophobicContact CB-CE2 3.89Å; V141-F153 HydrophobicContact CB-CZ 4.04Å; V141-F153 HydrophobicContact CG1-CE2 4.08Å; V141-F153 HydrophobicContact CG2-CE2 3.89Å; V141-F153 HydrophobicContact CG2-CZ 3.83Å; V141-F157 HydrophobicContact CB-CZ 4.24Å; V141-F157 HydrophobicContact CG1-CE2 4.28Å; V141-F157 HydrophobicContact CG1-CZ 3.85Å; V141-F157 HydrophobicContact CG2-CE1 3.65Å; V141-F157 HydrophobicContact CG2-CE2 4Å; V141-F157 HydrophobicContact CG2-CZ 3.35Å; V141-Y180 CarbonylContact O-C 3.57Å; V141-Y180 WeakPolarHBondContact O-CA 3.17Å; V141-Y180 WeakPolarHBondContact O-CB 3.5Å; V141-G181 PolarHBondContact N-O 2.88Å; V141-G181 PolarHBondContact O-N 3.28Å; V141-V183 HydrophobicContact CG2-CG2 4.45Å; V141-I208 HydrophobicContact CG1-CB 4.29Å; V141-I208 HydrophobicContact CG1-CD1 4.29Å; V141-K209 WeakPolarHBondContact CA-O 3.47Å; V141-V210 HydrophobicContact CG1-CG2 4.13Å; V141-V210 HydrophobicContact CG2-CG1 4.4Å; V141-V210 HydrophobicContact CG2-CG2 4.32Å |
| 142 | N | 88.4 | Confident | 79.7 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 161.2 | -179.6 | -66.5 | -83.4 | 0 | 0 | 0 | 111.3 | I208 K209 | N142-I208 WeakPolarHBondContact O-CA 3.31Å; N142-K209 HydrophobicContact CB-CB 4.45Å; N142-K209 PolarHBondContact N-O 3.38Å; N142-K209 PolarHBondContact O-N 3.15Å |
| 143 | Y | 85.8 | Confident | 81.6 | Confident | 143 Ų | 143 | 55.2 Ų | 55.2 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 64.7 | 29.1 | 179.2 | -49.4 | -77.8 | 0 | 0 | 0 | 115.3 | G179 K206 T207 K209 | Y143-G179 CarbonylContact C-O 3.53Å; Y143-G179 WeakPolarHBondContact CA-O 3.41Å; Y143-G179 PolarHBondContact N-O 3.03Å; Y143-K206 VanDerWaalsContact O-CB 3.23Å; Y143-K206 WeakPolarHBondContact O-CB 3.45Å; Y143-K206 WeakPolarHBondContact O-CD 3.33Å; Y143-T207 WeakPolarHBondContact CB-O 3.36Å; Y143-K209 HydrophobicContact CD2-CB 3.89Å; Y143-K209 HydrophobicContact CE2-CB 4.15Å |
| 144 | L | 86.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | trans | -62.1 | 145.3 | 169.9 | -63.4 | 168.3 | 0 | 0 | 0 | 111.1 | V141 M148 F153 L168 G179 K206 I208 | V141-L144 HydrophobicContact CB-CD1 4.42Å; V141-L144 HydrophobicContact CG1-CD1 4.28Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.01Å; L144-M148 HydrophobicContact CD2-SD 3.88Å; L144-F153 HydrophobicContact CD1-CD2 3.85Å; L144-F153 HydrophobicContact CD1-CE2 3.56Å; L144-F153 HydrophobicContact CD1-CZ 4.21Å; L144-F153 HydrophobicContact CD2-CD2 4.02Å; L144-F153 HydrophobicContact CD2-CE2 3.99Å; L144-F153 HydrophobicContact CG-CE2 4.41Å; L144-L168 HydrophobicContact CD1-CD1 3.54Å; L144-G179 PolarHBondContact N-O 2.87Å; L144-G179 WeakPolarHBondContact O-CA 3.36Å; L144-K206 WeakPolarHBondContact O-CD 3.46Å; L144-K206 PolarHBondContact O-NZ 2.93Å; L144-I208 HydrophobicContact CD2-CG2 4.01Å | ||
| 145 | P | 83.3 | Confident | 85 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | trans | -73.2 | 148.5 | 173.5 | 31.2 | -31.4 | 0 | 0 | 0 | 110.4 | N147 M148 L203 | P145-N147 VanDerWaalsContact C-N 3.32Å; P145-N147 WeakPolarHBondContact CB-OD1 3.31Å; P145-N147 PolarHBondContact O-N 2.96Å; P145-M148 HydrophobicContact CG-CB 4.19Å; P145-M148 WeakPolarHBondContact O-CB 3.19Å; P145-M148 PolarHBondContact O-N 3.17Å; P145-L203 HydrophobicContact CG-CB 4.15Å | ||
| 146 | Q | 82.2 | Confident | 86.4 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.3 | -166.9 | -68.7 | -170.5 | -66.6 | 0 | 0 | 114.2 | M148 S177 | Q146-M148 VanDerWaalsContact C-N 3.29Å; Q146-S177 PolarHBondContact NE2-O 2.53Å; Q146-S177 WeakPolarHBondContact O-CB 3.28Å |
| 147 | N | 82.9 | Confident | 87.3 | Confident | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -12.2 | 174.4 | 54.9 | -1.3 | 0 | 0 | 0 | 113.4 | P145 T149 Q204 | P145-N147 VanDerWaalsContact C-N 3.32Å; P145-N147 WeakPolarHBondContact CB-OD1 3.31Å; P145-N147 PolarHBondContact O-N 2.96Å; N147-T149 PolarHBondContact O-N 3.27Å; N147-Q204 PolarHBondContact ND2-NE2 2.98Å; N147-Q204 VanDerWaalsContact ND2-NE2 3.2Å; N147-Q204 PolarHBondContact ND2-OE1 2.7Å; N147-Q204 PolarHBondContact OD1-NE2 2.81Å; N147-Q204 PolarHBondContact OD1-OE1 2.69Å |
| 148 | M | 84.1 | Confident | 87.5 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -65.3 | 130.3 | -178.3 | -160.2 | 169.4 | -169.4 | 0 | 0 | 111.2 | L144 P145 Q146 E152 F153 L156 L168 S177 L203 | L144-M148 HydrophobicContact CD2-SD 3.88Å; P145-M148 HydrophobicContact CG-CB 4.19Å; P145-M148 WeakPolarHBondContact O-CB 3.19Å; P145-M148 PolarHBondContact O-N 3.17Å; Q146-M148 VanDerWaalsContact C-N 3.29Å; M148-E152 HydrophobicContact CE-CB 4.04Å; M148-E152 HydrophobicContact CG-CB 4.25Å; M148-F153 HydrophobicContact CE-CB 4.39Å; M148-L156 HydrophobicContact CE-CD2 4.04Å; M148-L168 VanDerWaalsContact O-CD2 3.26Å; M148-L168 WeakPolarHBondContact O-CD2 3.31Å; M148-S177 PolarHBondContact O-OG 3.35Å; M148-L203 HydrophobicContact CE-CD1 3.93Å; M148-L203 HydrophobicContact SD-CD1 3.81Å | ||
| 149 | T | 87.2 | Confident | 87.5 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | -80 | 165.9 | 177.3 | 66 | 0 | 0 | 0 | 0 | 110.9 | N147 E151 E152 F153 | N147-T149 PolarHBondContact O-N 3.27Å; T149-E151 VanDerWaalsContact CB-OE2 3.31Å; T149-E151 WeakPolarHBondContact CB-OE2 3.19Å; T149-E152 VanDerWaalsContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T149-E152 PolarHBondContact N-OE2 3.35Å; T149-E152 WeakPolarHBondContact OG1-CB 3.19Å; T149-E152 VanDerWaalsContact OG1-CD 3.23Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 2.99Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; T149-F153 VanDerWaalsContact O-CB 3.31Å; T149-F153 WeakPolarHBondContact O-CB 3.42Å; T149-F153 PolarHBondContact O-N 3.32Å | ||
| 150 | Q | 86 | Confident | 87.4 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.5 | -23.5 | 175.4 | -176.9 | 170.4 | -86.5 | 0 | 0 | 110.4 | F153 R154 L168 R170 | Q150-F153 PolarHBondContact O-N 3.1Å; Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 2.83Å; Q150-L168 HydrophobicContact CB-CB 4.15Å; Q150-L168 HydrophobicContact CB-CD2 4.44Å; Q150-L168 HydrophobicContact CG-CB 4.18Å; Q150-R170 VanDerWaalsContact N-NH2 3.12Å |
| 151 | E | 88.6 | Confident | 87.3 | Confident | 120 Ų | 120 | 57 Ų | 57 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.6 | -50.3 | -177.4 | -61.9 | 61.3 | -139.5 | 0 | 0 | 109.8 | T149 F153 R154 S155 | T149-E151 VanDerWaalsContact CB-OE2 3.31Å; T149-E151 WeakPolarHBondContact CB-OE2 3.19Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.15Å; E151-R154 PolarHBondContact O-N 2.9Å; E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.11Å |
| 152 | E | 88.5 | Confident | 87.3 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 168.2 | -69.2 | 161.3 | 128.7 | 0 | 0 | 111.7 | M148 T149 S155 L156 | M148-E152 HydrophobicContact CE-CB 4.04Å; M148-E152 HydrophobicContact CG-CB 4.25Å; T149-E152 VanDerWaalsContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T149-E152 PolarHBondContact N-OE2 3.35Å; T149-E152 WeakPolarHBondContact OG1-CB 3.19Å; T149-E152 VanDerWaalsContact OG1-CD 3.23Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 2.99Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; E152-S155 PolarHBondContact O-N 3.05Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.93Å |
| 153 | F | 89.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 179.3 | -178.3 | -110.2 | 0 | 0 | 0 | 112 | V141 L144 M148 T149 Q150 E151 F157 L168 V183 | V141-F153 HydrophobicContact CB-CE2 3.89Å; V141-F153 HydrophobicContact CB-CZ 4.04Å; V141-F153 HydrophobicContact CG1-CE2 4.08Å; V141-F153 HydrophobicContact CG2-CE2 3.89Å; V141-F153 HydrophobicContact CG2-CZ 3.83Å; L144-F153 HydrophobicContact CD1-CD2 3.85Å; L144-F153 HydrophobicContact CD1-CE2 3.56Å; L144-F153 HydrophobicContact CD1-CZ 4.21Å; L144-F153 HydrophobicContact CD2-CD2 4.02Å; L144-F153 HydrophobicContact CD2-CE2 3.99Å; L144-F153 HydrophobicContact CG-CE2 4.41Å; M148-F153 HydrophobicContact CE-CB 4.39Å; T149-F153 VanDerWaalsContact O-CB 3.31Å; T149-F153 WeakPolarHBondContact O-CB 3.42Å; T149-F153 PolarHBondContact O-N 3.32Å; Q150-F153 PolarHBondContact O-N 3.1Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.15Å; F153-F157 HydrophobicContact CD2-CD2 4.1Å; F153-F157 AromaticContact CD2-CE2 3.99Å; F153-F157 HydrophobicContact CD2-CE2 3.99Å; F153-F157 AromaticContact CE2-CD2 3.93Å; F153-F157 HydrophobicContact CE2-CD2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CZ 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.49Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.3Å; F153-F157 PolarHBondContact O-N 3.35Å; F153-L168 HydrophobicContact CD1-CB 4.34Å; F153-V183 HydrophobicContact CE1-CG2 3.6Å; F153-V183 HydrophobicContact CE2-CG2 4.46Å; F153-V183 HydrophobicContact CZ-CG2 3.53Å |
| 154 | R | 89.9 | Confident | 87.6 | Confident | 128 Ų | 128 | 61.2 Ų | 61.2 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 173 | -173.4 | 176.7 | -176.6 | 116.5 | 8.1 | 111.1 | Q150 E151 G158 I163 C166 | Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 2.83Å; E151-R154 PolarHBondContact O-N 2.9Å; R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.69Å; R154-I163 HydrophobicContact CG-CD1 4.48Å; R154-C166 VanDerWaalsContact CD-SG 3.59Å; R154-C166 VanDerWaalsContact CG-SG 3.53Å |
| 155 | S | 90.1 | Very high | 87.6 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | E151 E152 F157 G158 S159 | E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.11Å; E152-S155 PolarHBondContact O-N 3.05Å; S155-F157 PolarHBondContact O-N 3.44Å; S155-G158 PolarHBondContact O-N 2.84Å; S155-S159 PolarHBondContact O-N 3.41Å; S155-S159 VanDerWaalsContact O-N 3.14Å |
| 156 | L | 88.9 | Confident | 87.8 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 179.4 | -178.6 | 67.7 | 0 | 0 | 0 | 112 | M148 E152 S159 L198 L201 L203 I208 | M148-L156 HydrophobicContact CE-CD2 4.04Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.93Å; L156-S159 PolarHBondContact O-OG 3.02Å; L156-L198 HydrophobicContact CD1-CD2 4.38Å; L156-L201 HydrophobicContact CD1-CD2 4.12Å; L156-L201 HydrophobicContact CD2-CD2 4.24Å; L156-L203 HydrophobicContact CD2-CD1 4.09Å; L156-I208 HydrophobicContact CD2-CD1 4.48Å |
| 157 | F | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.1 | -34.3 | -179.4 | -76.5 | -98.6 | 0 | 0 | 0 | 111.8 | V141 F153 S155 S159 I160 I163 V183 Y185 A194 L198 I208 V210 | V141-F157 HydrophobicContact CB-CZ 4.24Å; V141-F157 HydrophobicContact CG1-CE2 4.28Å; V141-F157 HydrophobicContact CG1-CZ 3.85Å; V141-F157 HydrophobicContact CG2-CE1 3.65Å; V141-F157 HydrophobicContact CG2-CE2 4Å; V141-F157 HydrophobicContact CG2-CZ 3.35Å; F153-F157 HydrophobicContact CD2-CD2 4.1Å; F153-F157 AromaticContact CD2-CE2 3.99Å; F153-F157 HydrophobicContact CD2-CE2 3.99Å; F153-F157 AromaticContact CE2-CD2 3.93Å; F153-F157 HydrophobicContact CE2-CD2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CZ 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.49Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.3Å; F153-F157 PolarHBondContact O-N 3.35Å; S155-F157 PolarHBondContact O-N 3.44Å; F157-S159 PolarHBondContact O-N 3Å; F157-S159 VanDerWaalsContact O-N 3.13Å; F157-I160 PolarHBondContact O-N 3.35Å; F157-I163 HydrophobicContact CB-CD1 3.65Å; F157-V183 HydrophobicContact CB-CG1 4.27Å; F157-V183 HydrophobicContact CB-CG2 4.29Å; F157-V183 HydrophobicContact CD1-CG2 4.1Å; F157-V183 HydrophobicContact CD2-CG2 4.44Å; F157-V183 HydrophobicContact CG-CG2 4Å; F157-Y185 WeakPolarHBondContact CB-OH 3.32Å; F157-Y185 PolarHBondContact O-OH 3.13Å; F157-A194 HydrophobicContact CD1-CB 4.44Å; F157-L198 HydrophobicContact CD1-CD1 3.56Å; F157-L198 HydrophobicContact CD2-CD1 4.23Å; F157-L198 HydrophobicContact CE1-CB 4.32Å; F157-L198 HydrophobicContact CE1-CD1 3.5Å; F157-L198 VanDerWaalsContact CE1-CD1 3.5Å; F157-L198 HydrophobicContact CE2-CD1 4.19Å; F157-L198 HydrophobicContact CG-CD1 3.91Å; F157-L198 HydrophobicContact CZ-CB 4.32Å; F157-L198 HydrophobicContact CZ-CD1 3.8Å; F157-I208 HydrophobicContact CZ-CD1 4.34Å; F157-V210 HydrophobicContact CE1-CG1 4.08Å; F157-V210 HydrophobicContact CE1-CG2 3.99Å; F157-V210 HydrophobicContact CZ-CG2 3.82Å |
| 158 | G | 88.1 | Confident | 88.4 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -12 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R154 S155 I160 | R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.69Å; S155-G158 PolarHBondContact O-N 2.84Å; G158-I160 VanDerWaalsContact C-N 3.27Å |
| 159 | S | 89.4 | Confident | 88.4 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.3 | 169.7 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | S155 L156 F157 | S155-S159 PolarHBondContact O-N 3.41Å; S155-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3.02Å; F157-S159 PolarHBondContact O-N 3Å; F157-S159 VanDerWaalsContact O-N 3.13Å |
| 160 | I | 88.6 | Confident | 88.3 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -30.4 | -177.8 | -52.4 | -60.3 | 0 | 0 | 0 | 112.6 | F157 G158 K193 A194 T197 L198 | F157-I160 PolarHBondContact O-N 3.35Å; G158-I160 VanDerWaalsContact C-N 3.27Å; I160-K193 HydrophobicContact CG2-CB 3.66Å; I160-A194 HydrophobicContact CB-CB 4.32Å; I160-A194 HydrophobicContact CG1-CB 4.47Å; I160-A194 HydrophobicContact CG2-CB 3.95Å; I160-T197 HydrophobicContact CD1-CG2 4.13Å; I160-L198 HydrophobicContact CD1-CD2 4.46Å; I160-L198 HydrophobicContact CD1-CG 4.44Å; I160-L198 HydrophobicContact CG1-CD1 3.81Å; I160-L198 HydrophobicContact CG1-CG 4.2Å |
| 161 | G | 86.9 | Confident | 88.1 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 175.4 | 178 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I163 D190 | G161-I163 PolarHBondContact O-N 3.06Å; G161-D190 VanDerWaalsContact CA-OD2 3.25Å; G161-D190 WeakPolarHBondContact CA-OD2 3.36Å |
| 162 | E | 90.1 | Very high | 87.4 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 66% | 0.659 | 35% | 0.352 | S | S | * | . | trans | -79 | 120.3 | -172.4 | -162.5 | 172.4 | 170.3 | 0 | 0 | 112.8 | Y185 I186 | E162-Y185 WeakPolarHBondContact O-CA 3.3Å; E162-Y185 WeakPolarHBondContact O-CD1 3.43Å; E162-I186 HydrophobicContact CB-CD1 4.14Å; E162-I186 HydrophobicContact CG-CD1 3.67Å; E162-I186 HydrophobicContact CG-CG1 4.4Å; E162-I186 PolarHBondContact O-N 2.85Å | ||
| 163 | I | 91.1 | Very high | 86.7 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.5 | -179.8 | -65.2 | 175.6 | 0 | 0 | 0 | 110.1 | R154 F157 G161 C166 V183 Y185 | R154-I163 HydrophobicContact CG-CD1 4.48Å; F157-I163 HydrophobicContact CB-CD1 3.65Å; G161-I163 PolarHBondContact O-N 3.06Å; I163-C166 HydrophobicContact CG2-CB 3.92Å; I163-V183 HydrophobicContact CD1-CG1 3.81Å; I163-V183 HydrophobicContact CG1-CG1 3.81Å; I163-V183 HydrophobicContact CG2-CG1 4.09Å; I163-Y185 HydrophobicContact CG1-CD1 4.14Å; I163-Y185 HydrophobicContact CG1-CE1 3.84Å |
| 164 | E | 89 | Confident | 86.1 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -49.3 | 166.8 | -170.9 | -147.1 | -124.6 | 0 | 0 | 110.4 | N184 I186 | E164-N184 PolarHBondContact N-O 3.46Å; E164-N184 PolarHBondContact OE2-ND2 3.47Å; E164-I186 HydrophobicContact CB-CG1 3.9Å |
| 165 | S | 85.4 | Confident | 85.3 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 122.3 | -173.4 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | V183 N184 | S165-V183 CarbonylContact O-C 3.4Å; S165-V183 WeakPolarHBondContact O-CA 3.43Å; S165-N184 PolarHBondContact N-O 3Å; S165-N184 VanDerWaalsContact N-O 3.15Å; S165-N184 PolarHBondContact O-N 2.85Å |
| 166 | C | 88.6 | Confident | 84.6 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.5 | 171.5 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | R154 I163 F182 | R154-C166 VanDerWaalsContact CD-SG 3.59Å; R154-C166 VanDerWaalsContact CG-SG 3.53Å; I163-C166 HydrophobicContact CG2-CB 3.92Å; C166-F182 WeakPolarHBondContact CA-O 3.18Å |
| 167 | K | 87.9 | Confident | 84.2 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 105.4 | -179.3 | -170.8 | 170.1 | -170.6 | 164.6 | 0 | 111.6 | G181 F182 | K167-G181 CarbonylContact O-C 3.56Å; K167-G181 VanDerWaalsContact O-CA 3.32Å; K167-G181 WeakPolarHBondContact O-CA 3.33Å; K167-F182 PolarHBondContact N-O 2.84Å; K167-F182 PolarHBondContact O-N 3.29Å |
| 168 | L | 89 | Confident | 83.8 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.1 | 170.8 | -177.1 | 61.2 | 0 | 0 | 0 | 108.9 | L144 M148 Q150 F153 R170 | L144-L168 HydrophobicContact CD1-CD1 3.54Å; M148-L168 VanDerWaalsContact O-CD2 3.26Å; M148-L168 WeakPolarHBondContact O-CD2 3.31Å; Q150-L168 HydrophobicContact CB-CB 4.15Å; Q150-L168 HydrophobicContact CB-CD2 4.44Å; Q150-L168 HydrophobicContact CG-CB 4.18Å; F153-L168 HydrophobicContact CD1-CB 4.34Å; L168-R170 PolarHBondContact O-N 3.26Å |
| 169 | V | 85.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 112.5 | -177.4 | -167 | 0 | 0 | 0 | 0 | 109.8 | L178 Y180 F182 | V169-L178 HydrophobicContact CG1-CD1 3.83Å; V169-L178 WeakPolarHBondContact O-CB 3.24Å; V169-L178 PolarHBondContact O-N 2.64Å; V169-Y180 HydrophobicContact CB-CD2 4.13Å; V169-Y180 HydrophobicContact CB-CE2 3.8Å; V169-Y180 WeakPolarHBondContact CB-O 3.22Å; V169-Y180 HydrophobicContact CG1-CE2 4.08Å; V169-Y180 HydrophobicContact CG2-CD2 3.83Å; V169-Y180 HydrophobicContact CG2-CE2 3.56Å; V169-Y180 PolarHBondContact N-O 2.8Å; V169-F182 HydrophobicContact CG2-CD2 3.83Å; V169-F182 HydrophobicContact CG2-CE2 3.79Å |
| 170 | R | 85 | Confident | 83.6 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 39% | 0.389 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.4 | 174.1 | -54.9 | -169.9 | 173.3 | 151.7 | 2.6 | 110.4 | Q150 L168 G175 Q176 S177 | Q150-R170 VanDerWaalsContact N-NH2 3.12Å; L168-R170 PolarHBondContact O-N 3.26Å; R170-G175 WeakPolarHBondContact CD-O 3.49Å; R170-Q176 CarbonylContact C-O 3.6Å; R170-Q176 VanDerWaalsContact CA-O 3.28Å; R170-Q176 WeakPolarHBondContact CA-O 3.23Å; R170-S177 PolarHBondContact NE-OG 3.49Å |
| 171 | D | 80.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | trans | -62.8 | 133.7 | 169.7 | 171.2 | 26.7 | 0 | 0 | 0 | 110.2 | I173 T174 G175 Q176 L178 | D171-I173 PolarHBondContact O-N 3.49Å; D171-I173 PolarHBondContact OD1-N 3.09Å; D171-T174 WeakPolarHBondContact CB-OG1 3.25Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.39Å; D171-T174 VanDerWaalsContact OD2-CG2 3.32Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.23Å; D171-T174 PolarHBondContact OD2-N 3.25Å; D171-T174 PolarHBondContact OD2-OG1 2.7Å; D171-G175 WeakPolarHBondContact O-CA 3.49Å; D171-G175 PolarHBondContact O-N 2.72Å; D171-Q176 PolarHBondContact N-O 3.36Å; D171-L178 HydrophobicContact CB-CD2 3.93Å | ||
| 172 | K | 73.8 | Confident | 83.8 | Confident | 212 Ų | 212 | 70.4 Ų | 70.4 | 92% | 0.922 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.3 | 178.1 | -64.6 | -172.3 | 175.6 | -172.1 | 0 | 113.5 | ||
| 173 | I | 73.6 | Confident | 83.9 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 55% | 0.549 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -45.5 | -172.4 | -54.8 | 177.8 | 0 | 0 | 0 | 112 | D171 K404 | D171-I173 PolarHBondContact O-N 3.49Å; D171-I173 PolarHBondContact OD1-N 3.09Å; I173-K404 PolarHBondContact O-NZ 2.86Å |
| 174 | T | 76.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 64 Ų | 64 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -21.8 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | D171 Q176 | D171-T174 WeakPolarHBondContact CB-OG1 3.25Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.39Å; D171-T174 VanDerWaalsContact OD2-CG2 3.32Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.23Å; D171-T174 PolarHBondContact OD2-N 3.25Å; D171-T174 PolarHBondContact OD2-OG1 2.7Å; T174-Q176 PolarHBondContact O-N 3.11Å; T174-Q176 PolarHBondContact OG1-N 2.86Å |
| 175 | G | 74.5 | Confident | 83.9 | Confident | 45 Ų | 45 | 58 Ų | 58 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | trans | 76.7 | -2.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R170 D171 | R170-G175 WeakPolarHBondContact CD-O 3.49Å; D171-G175 WeakPolarHBondContact O-CA 3.49Å; D171-G175 PolarHBondContact O-N 2.72Å | ||
| 176 | Q | 74.5 | Confident | 84.1 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | trans | -72.9 | 142.4 | -178.9 | -66.7 | -171.7 | -5 | 0 | 0 | 112 | R170 D171 T174 L178 | R170-Q176 CarbonylContact C-O 3.6Å; R170-Q176 VanDerWaalsContact CA-O 3.28Å; R170-Q176 WeakPolarHBondContact CA-O 3.23Å; D171-Q176 PolarHBondContact N-O 3.36Å; T174-Q176 PolarHBondContact O-N 3.11Å; T174-Q176 PolarHBondContact OG1-N 2.86Å; Q176-L178 PolarHBondContact O-N 3.47Å | ||
| 177 | S | 81.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.2 | 172.3 | -60 | 0 | 0 | 0 | 0 | 110.9 | Q146 M148 R170 G179 | Q146-S177 PolarHBondContact NE2-O 2.53Å; Q146-S177 WeakPolarHBondContact O-CB 3.28Å; M148-S177 PolarHBondContact O-OG 3.35Å; R170-S177 PolarHBondContact NE-OG 3.49Å; S177-G179 PolarHBondContact O-N 2.84Å; S177-G179 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 80.6 | Confident | 84.2 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 44% | 0.44 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 3 | 178.6 | -63.3 | -175.8 | 0 | 0 | 0 | 113.2 | V169 D171 Q176 Y180 | V169-L178 HydrophobicContact CG1-CD1 3.83Å; V169-L178 WeakPolarHBondContact O-CB 3.24Å; V169-L178 PolarHBondContact O-N 2.64Å; D171-L178 HydrophobicContact CB-CD2 3.93Å; Q176-L178 PolarHBondContact O-N 3.47Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 HydrophobicContact CB-CD1 3.77Å; L178-Y180 HydrophobicContact CB-CE1 3.52Å; L178-Y180 HydrophobicContact CD1-CE1 3.79Å; L178-Y180 HydrophobicContact CG-CE1 4.32Å |
| 179 | G | 83.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76 | 17.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y143 L144 S177 | Y143-G179 CarbonylContact C-O 3.53Å; Y143-G179 WeakPolarHBondContact CA-O 3.41Å; Y143-G179 PolarHBondContact N-O 3.03Å; L144-G179 PolarHBondContact N-O 2.87Å; L144-G179 WeakPolarHBondContact O-CA 3.36Å; S177-G179 PolarHBondContact O-N 2.84Å; S177-G179 VanDerWaalsContact O-N 3.09Å |
| 180 | Y | 88.2 | Confident | 84.5 | Confident | 81 Ų | 81 | 64 Ų | 64 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.9 | 170.3 | 69.8 | -85 | 0 | 0 | 0 | 112.5 | V141 V169 L178 F182 | V141-Y180 CarbonylContact O-C 3.57Å; V141-Y180 WeakPolarHBondContact O-CA 3.17Å; V141-Y180 WeakPolarHBondContact O-CB 3.5Å; V169-Y180 HydrophobicContact CB-CD2 4.13Å; V169-Y180 HydrophobicContact CB-CE2 3.8Å; V169-Y180 WeakPolarHBondContact CB-O 3.22Å; V169-Y180 HydrophobicContact CG1-CE2 4.08Å; V169-Y180 HydrophobicContact CG2-CD2 3.83Å; V169-Y180 HydrophobicContact CG2-CE2 3.56Å; V169-Y180 PolarHBondContact N-O 2.8Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 HydrophobicContact CB-CD1 3.77Å; L178-Y180 HydrophobicContact CB-CE1 3.52Å; L178-Y180 HydrophobicContact CD1-CE1 3.79Å; L178-Y180 HydrophobicContact CG-CE1 4.32Å; Y180-F182 HydrophobicContact CD2-CE2 4.19Å; Y180-F182 AromaticContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CZ 4.38Å |
| 181 | G | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V141 K167 | V141-G181 PolarHBondContact N-O 2.88Å; V141-G181 PolarHBondContact O-N 3.28Å; K167-G181 CarbonylContact O-C 3.56Å; K167-G181 VanDerWaalsContact O-CA 3.32Å; K167-G181 WeakPolarHBondContact O-CA 3.33Å |
| 182 | F | 90.9 | Very high | 85.2 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 144.8 | 175.9 | -62.9 | -85 | 0 | 0 | 0 | 110.2 | L139 I140 C166 K167 V169 Y180 A213 | L139-F182 WeakPolarHBondContact O-CA 3.25Å; I140-F182 HydrophobicContact CB-CD1 4Å; I140-F182 HydrophobicContact CB-CE1 3.91Å; I140-F182 HydrophobicContact CD1-CE1 3.73Å; I140-F182 HydrophobicContact CD1-CZ 3.93Å; I140-F182 HydrophobicContact CG1-CD1 4.08Å; I140-F182 HydrophobicContact CG1-CE1 3.75Å; I140-F182 HydrophobicContact CG1-CZ 4.26Å; C166-F182 WeakPolarHBondContact CA-O 3.18Å; K167-F182 PolarHBondContact N-O 2.84Å; K167-F182 PolarHBondContact O-N 3.29Å; V169-F182 HydrophobicContact CG2-CD2 3.83Å; V169-F182 HydrophobicContact CG2-CE2 3.79Å; Y180-F182 HydrophobicContact CD2-CE2 4.19Å; Y180-F182 AromaticContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CZ 4.38Å; F182-A213 HydrophobicContact CD1-CB 3.96Å; F182-A213 HydrophobicContact CE1-CB 4.22Å |
| 183 | V | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 121.3 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | L139 V141 F153 F157 I163 S165 Y185 | L139-V183 PolarHBondContact N-O 3.11Å; L139-V183 PolarHBondContact O-N 3.46Å; V141-V183 HydrophobicContact CG2-CG2 4.45Å; F153-V183 HydrophobicContact CE1-CG2 3.6Å; F153-V183 HydrophobicContact CE2-CG2 4.46Å; F153-V183 HydrophobicContact CZ-CG2 3.53Å; F157-V183 HydrophobicContact CB-CG1 4.27Å; F157-V183 HydrophobicContact CB-CG2 4.29Å; F157-V183 HydrophobicContact CD1-CG2 4.1Å; F157-V183 HydrophobicContact CD2-CG2 4.44Å; F157-V183 HydrophobicContact CG-CG2 4Å; I163-V183 HydrophobicContact CD1-CG1 3.81Å; I163-V183 HydrophobicContact CG1-CG1 3.81Å; I163-V183 HydrophobicContact CG2-CG1 4.09Å; S165-V183 CarbonylContact O-C 3.4Å; S165-V183 WeakPolarHBondContact O-CA 3.43Å; V183-Y185 HydrophobicContact CG1-CD2 4.07Å; V183-Y185 HydrophobicContact CG1-CE2 3.73Å |
| 184 | N | 90.4 | Very high | 86.8 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.9 | 166.8 | -163 | 33.6 | 0 | 0 | 0 | 108.6 | T137 N138 E164 S165 | T137-N184 WeakPolarHBondContact CB-OD1 3.3Å; T137-N184 PolarHBondContact O-OD1 3.07Å; T137-N184 PolarHBondContact OG1-OD1 3.07Å; T137-N184 VanDerWaalsContact OG1-OD1 3.1Å; N138-N184 WeakPolarHBondContact CA-OD1 3.36Å; N138-N184 PolarHBondContact N-OD1 3.46Å; N138-N184 VanDerWaalsContact N-OD1 3.15Å; N138-N184 PolarHBondContact ND2-OD1 2.93Å; N138-N184 PolarHBondContact OD1-OD1 3.34Å; E164-N184 PolarHBondContact N-O 3.46Å; E164-N184 PolarHBondContact OE2-ND2 3.47Å; S165-N184 PolarHBondContact N-O 3Å; S165-N184 VanDerWaalsContact N-O 3.15Å; S165-N184 PolarHBondContact O-N 2.85Å |
| 185 | Y | 91.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 157 | 170.1 | -73.7 | -88.4 | 0 | 0 | 0 | 110.6 | T137 L139 F157 E162 I163 V183 D187 D190 A191 A194 | T137-Y185 WeakPolarHBondContact CB-O 3.3Å; T137-Y185 WeakPolarHBondContact CG2-O 3.49Å; T137-Y185 PolarHBondContact O-N 3.03Å; T137-Y185 VanDerWaalsContact O-N 3.12Å; L139-Y185 HydrophobicContact CD1-CD2 4.22Å; L139-Y185 HydrophobicContact CD1-CE2 3.73Å; L139-Y185 HydrophobicContact CG-CD2 4.45Å; L139-Y185 HydrophobicContact CG-CE2 4.39Å; F157-Y185 WeakPolarHBondContact CB-OH 3.32Å; F157-Y185 PolarHBondContact O-OH 3.13Å; E162-Y185 WeakPolarHBondContact O-CA 3.3Å; E162-Y185 WeakPolarHBondContact O-CD1 3.43Å; I163-Y185 HydrophobicContact CG1-CD1 4.14Å; I163-Y185 HydrophobicContact CG1-CE1 3.84Å; V183-Y185 HydrophobicContact CG1-CD2 4.07Å; V183-Y185 HydrophobicContact CG1-CE2 3.73Å; Y185-D187 WeakPolarHBondContact CB-O 3.45Å; Y185-D190 HydrophobicContact CD1-CB 3.96Å; Y185-D190 HydrophobicContact CE1-CB 4.39Å; Y185-D190 HydrophobicContact CG-CB 4.39Å; Y185-A191 HydrophobicContact CD2-CB 3.7Å; Y185-A191 HydrophobicContact CE2-CB 4.46Å; Y185-A191 HydrophobicContact CG-CB 4.27Å; Y185-A194 HydrophobicContact CE2-CB 3.7Å; Y185-A194 WeakPolarHBondContact OH-CB 3.36Å |
| 186 | I | 88.8 | Confident | 88.3 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -68.7 | -45.1 | 166.5 | -58.6 | -179.4 | 0 | 0 | 0 | 109.2 | E162 E164 | E162-I186 HydrophobicContact CB-CD1 4.14Å; E162-I186 HydrophobicContact CG-CD1 3.67Å; E162-I186 HydrophobicContact CG-CG1 4.4Å; E162-I186 PolarHBondContact O-N 2.85Å; E164-I186 HydrophobicContact CB-CG1 3.9Å |
| 187 | D | 89.3 | Confident | 88.9 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -99.1 | 125.5 | -178.1 | -111.3 | -62.8 | 0 | 0 | 0 | 112.4 | Y185 K189 D190 A191 | Y185-D187 WeakPolarHBondContact CB-O 3.45Å; D187-K189 PolarHBondContact O-N 2.79Å; D187-D190 HydrophobicContact CB-CB 4.29Å; D187-D190 PolarHBondContact O-N 2.8Å; D187-D190 VanDerWaalsContact O-N 3.09Å; D187-A191 PolarHBondContact O-N 2.85Å |
| 188 | P | 89 | Confident | 89.2 | Confident | 42 Ų | 42 | 52 Ų | 52 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.5 | -22.9 | 176.5 | 26.2 | -33.4 | 0 | 0 | 0 | 112.5 | K136 T137 D190 A191 E192 | K136-P188 HydrophobicContact CB-CB 3.98Å; T137-P188 HydrophobicContact CG2-CB 3.89Å; T137-P188 HydrophobicContact CG2-CG 4.34Å; P188-D190 VanDerWaalsContact C-N 3.29Å; P188-D190 PolarHBondContact O-N 2.77Å; P188-A191 PolarHBondContact O-N 3.27Å; P188-E192 PolarHBondContact O-N 2.87Å |
| 189 | K | 90.1 | Very high | 89.6 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.7 | -36.4 | 173 | -65 | 170.4 | -175.6 | 162.5 | 0 | 111.7 | D187 E192 K193 | D187-K189 PolarHBondContact O-N 2.79Å; K189-E192 PolarHBondContact O-N 2.93Å; K189-K193 WeakPolarHBondContact O-CG 3.29Å; K189-K193 PolarHBondContact O-N 3Å |
| 190 | D | 90.9 | Very high | 89.7 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81.3 | -31 | -178.7 | -70 | -2.3 | 0 | 0 | 0 | 111.4 | G161 Y185 D187 P188 E192 K193 A194 | G161-D190 VanDerWaalsContact CA-OD2 3.25Å; G161-D190 WeakPolarHBondContact CA-OD2 3.36Å; Y185-D190 HydrophobicContact CD1-CB 3.96Å; Y185-D190 HydrophobicContact CE1-CB 4.39Å; Y185-D190 HydrophobicContact CG-CB 4.39Å; D187-D190 HydrophobicContact CB-CB 4.29Å; D187-D190 PolarHBondContact O-N 2.8Å; D187-D190 VanDerWaalsContact O-N 3.09Å; P188-D190 VanDerWaalsContact C-N 3.29Å; P188-D190 PolarHBondContact O-N 2.77Å; D190-E192 VanDerWaalsContact C-N 3.34Å; D190-K193 PolarHBondContact O-N 3.2Å; D190-K193 VanDerWaalsContact OD1-CE 3.31Å; D190-K193 WeakPolarHBondContact OD1-CE 3.12Å; D190-K193 IonicContact OD1-NZ 2.65Å; D190-K193 PolarHBondContact OD1-NZ 2.84Å; D190-A194 VanDerWaalsContact O-CB 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 2.93Å |
| 191 | A | 89.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 166 | 0 | 0 | 0 | 0 | 0 | 112.2 | K136 L139 Y185 D187 P188 A194 I195 | K136-A191 WeakPolarHBondContact O-CB 3.5Å; L139-A191 HydrophobicContact CD1-CB 4.36Å; L139-A191 HydrophobicContact CD2-CB 4Å; L139-A191 HydrophobicContact CG-CB 4.11Å; Y185-A191 HydrophobicContact CD2-CB 3.7Å; Y185-A191 HydrophobicContact CE2-CB 4.46Å; Y185-A191 HydrophobicContact CG-CB 4.27Å; D187-A191 PolarHBondContact O-N 2.85Å; P188-A191 PolarHBondContact O-N 3.27Å; A191-A194 PolarHBondContact O-N 2.77Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 2.94Å |
| 192 | E | 90.1 | Very high | 89.4 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.4 | -177.7 | 165.6 | -131.5 | 0 | 0 | 112.5 | P188 K189 D190 A194 I195 N196 | P188-E192 PolarHBondContact O-N 2.87Å; K189-E192 PolarHBondContact O-N 2.93Å; D190-E192 VanDerWaalsContact C-N 3.34Å; E192-A194 VanDerWaalsContact C-N 3.27Å; E192-A194 PolarHBondContact O-N 2.99Å; E192-I195 PolarHBondContact O-N 2.88Å; E192-N196 PolarHBondContact O-N 3.01Å; E192-N196 PolarHBondContact O-ND2 2.84Å |
| 193 | K | 91 | Very high | 89.1 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -53.8 | -45.9 | 170.9 | -69.4 | 171.1 | -164.9 | 164.6 | 0 | 111 | I160 K189 D190 I195 N196 T197 | I160-K193 HydrophobicContact CG2-CB 3.66Å; K189-K193 WeakPolarHBondContact O-CG 3.29Å; K189-K193 PolarHBondContact O-N 3Å; D190-K193 PolarHBondContact O-N 3.2Å; D190-K193 VanDerWaalsContact OD1-CE 3.31Å; D190-K193 WeakPolarHBondContact OD1-CE 3.12Å; D190-K193 IonicContact OD1-NZ 2.65Å; D190-K193 PolarHBondContact OD1-NZ 2.84Å; K193-I195 VanDerWaalsContact C-N 3.35Å; K193-I195 PolarHBondContact O-N 3.1Å; K193-N196 PolarHBondContact O-N 2.88Å; K193-N196 VanDerWaalsContact O-N 3.09Å; K193-T197 WeakPolarHBondContact O-CB 3.12Å; K193-T197 PolarHBondContact O-N 3.34Å; K193-T197 PolarHBondContact O-OG1 3.14Å |
| 194 | A | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -33.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L139 F157 I160 Y185 D190 A191 E192 L198 | L139-A194 HydrophobicContact CD1-CB 3.93Å; F157-A194 HydrophobicContact CD1-CB 4.44Å; I160-A194 HydrophobicContact CB-CB 4.32Å; I160-A194 HydrophobicContact CG1-CB 4.47Å; I160-A194 HydrophobicContact CG2-CB 3.95Å; Y185-A194 HydrophobicContact CE2-CB 3.7Å; Y185-A194 WeakPolarHBondContact OH-CB 3.36Å; D190-A194 VanDerWaalsContact O-CB 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 2.93Å; A191-A194 PolarHBondContact O-N 2.77Å; E192-A194 VanDerWaalsContact C-N 3.27Å; E192-A194 PolarHBondContact O-N 2.99Å; A194-L198 HydrophobicContact CB-CD1 4.45Å; A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.36Å |
| 195 | I | 91.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.108 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -55 | 166.5 | -66.5 | 164.1 | 0 | 0 | 0 | 109.5 | L139 A191 E192 K193 T197 N199 V210 Y212 | L139-I195 HydrophobicContact CD1-CG1 4.17Å; L139-I195 HydrophobicContact CD2-CD1 3.61Å; L139-I195 HydrophobicContact CD2-CG1 3.75Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 2.94Å; E192-I195 PolarHBondContact O-N 2.88Å; K193-I195 VanDerWaalsContact C-N 3.35Å; K193-I195 PolarHBondContact O-N 3.1Å; I195-T197 VanDerWaalsContact C-N 3.28Å; I195-T197 PolarHBondContact O-N 3.2Å; I195-N199 HydrophobicContact CG2-CB 4.39Å; I195-N199 WeakPolarHBondContact O-CB 3.18Å; I195-N199 PolarHBondContact O-N 3.44Å; I195-V210 HydrophobicContact CG1-CG1 3.94Å; I195-Y212 HydrophobicContact CD1-CD1 3.7Å; I195-Y212 HydrophobicContact CD1-CD2 3.65Å; I195-Y212 HydrophobicContact CD1-CE1 3.47Å; I195-Y212 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y212 HydrophobicContact CD1-CE2 3.43Å; I195-Y212 VanDerWaalsContact CD1-CE2 3.43Å; I195-Y212 HydrophobicContact CD1-CG 3.78Å |
| 196 | N | 90.6 | Very high | 87.6 | Confident | 122 Ų | 122 | 73.3 Ų | 73.3 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.9 | -26.3 | -171.7 | -68.7 | -30 | 0 | 0 | 0 | 114 | E192 K193 | E192-N196 PolarHBondContact O-N 3.01Å; E192-N196 PolarHBondContact O-ND2 2.84Å; K193-N196 PolarHBondContact O-N 2.88Å; K193-N196 VanDerWaalsContact O-N 3.09Å |
| 197 | T | 88.1 | Confident | 87.5 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 56% | 0.564 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -98.7 | -35.6 | -179.8 | -55 | 0 | 0 | 0 | 0 | 113.9 | I160 K193 I195 | I160-T197 HydrophobicContact CD1-CG2 4.13Å; K193-T197 WeakPolarHBondContact O-CB 3.12Å; K193-T197 PolarHBondContact O-N 3.34Å; K193-T197 PolarHBondContact O-OG1 3.14Å; I195-T197 VanDerWaalsContact C-N 3.28Å; I195-T197 PolarHBondContact O-N 3.2Å |
| 198 | L | 87.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -103.9 | -15.2 | -173.7 | -55.1 | 174.3 | 0 | 0 | 0 | 113.9 | L156 F157 I160 A194 G200 L201 I208 V210 | L156-L198 HydrophobicContact CD1-CD2 4.38Å; F157-L198 HydrophobicContact CD1-CD1 3.56Å; F157-L198 HydrophobicContact CD2-CD1 4.23Å; F157-L198 HydrophobicContact CE1-CB 4.32Å; F157-L198 HydrophobicContact CE1-CD1 3.5Å; F157-L198 VanDerWaalsContact CE1-CD1 3.5Å; F157-L198 HydrophobicContact CE2-CD1 4.19Å; F157-L198 HydrophobicContact CG-CD1 3.91Å; F157-L198 HydrophobicContact CZ-CB 4.32Å; F157-L198 HydrophobicContact CZ-CD1 3.8Å; I160-L198 HydrophobicContact CD1-CD2 4.46Å; I160-L198 HydrophobicContact CD1-CG 4.44Å; I160-L198 HydrophobicContact CG1-CD1 3.81Å; I160-L198 HydrophobicContact CG1-CG 4.2Å; A194-L198 HydrophobicContact CB-CD1 4.45Å; A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.36Å; L198-G200 PolarHBondContact O-N 2.8Å; L198-L201 HydrophobicContact CD2-CD2 4.02Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.84Å; L198-L201 VanDerWaalsContact O-N 3.17Å; L198-I208 VanDerWaalsContact O-CG1 3.3Å; L198-I208 WeakPolarHBondContact O-CG1 3.43Å; L198-V210 HydrophobicContact CB-CG2 4.02Å |
| 199 | N | 89.7 | Confident | 87.6 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 123.4 | 172.4 | -175.5 | 39.6 | 0 | 0 | 0 | 110.4 | I195 K209 V210 | I195-N199 HydrophobicContact CG2-CB 4.39Å; I195-N199 WeakPolarHBondContact O-CB 3.18Å; I195-N199 PolarHBondContact O-N 3.44Å; N199-K209 WeakPolarHBondContact OD1-CA 3.47Å; N199-V210 HydrophobicContact CB-CB 4.01Å; N199-V210 PolarHBondContact OD1-N 3.1Å; N199-V210 PolarHBondContact OD1-O 3.38Å |
| 200 | G | 85.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 46% | 0.464 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 1.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L198 R202 T207 I208 | L198-G200 PolarHBondContact O-N 2.8Å; G200-R202 PolarHBondContact O-N 2.85Å; G200-T207 VanDerWaalsContact O-CG2 3.3Å; G200-T207 WeakPolarHBondContact O-CG2 3.41Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; G200-I208 PolarHBondContact N-O 3.28Å |
| 201 | L | 86.8 | Confident | 87.4 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | trans | -65.8 | 127.8 | 175.1 | -174.2 | 70 | 0 | 0 | 0 | 110.7 | L156 L198 L203 I208 | L156-L201 HydrophobicContact CD1-CD2 4.12Å; L156-L201 HydrophobicContact CD2-CD2 4.24Å; L198-L201 HydrophobicContact CD2-CD2 4.02Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.84Å; L198-L201 VanDerWaalsContact O-N 3.17Å; L201-L203 HydrophobicContact CD2-CD2 3.92Å; L201-L203 HydrophobicContact CG-CD2 4.19Å; L201-L203 PolarHBondContact O-N 3.13Å; L201-I208 HydrophobicContact CB-CD1 4.02Å; L201-I208 HydrophobicContact CB-CG1 4.03Å; L201-I208 HydrophobicContact CD2-CD1 4.35Å; L201-I208 PolarHBondContact O-N 3.12Å | ||
| 202 | R | 85.6 | Confident | 87.4 | Confident | 187 Ų | 187 | 70.6 Ų | 70.6 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 108 | 179.3 | -174.6 | 178.5 | 173.5 | 175.4 | 0.2 | 110.9 | G200 Q204 K206 | G200-R202 PolarHBondContact O-N 2.85Å; R202-Q204 PolarHBondContact NE-O 2.75Å; R202-K206 CarbonylContact C-O 3.51Å; R202-K206 WeakPolarHBondContact CA-O 3.45Å |
| 203 | L | 83.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.7 | 172.5 | -60.3 | -173.7 | 0 | 0 | 0 | 109.7 | P145 M148 L156 L201 T205 K206 I208 | P145-L203 HydrophobicContact CG-CB 4.15Å; M148-L203 HydrophobicContact CE-CD1 3.93Å; M148-L203 HydrophobicContact SD-CD1 3.81Å; L156-L203 HydrophobicContact CD2-CD1 4.09Å; L201-L203 HydrophobicContact CD2-CD2 3.92Å; L201-L203 HydrophobicContact CG-CD2 4.19Å; L201-L203 PolarHBondContact O-N 3.13Å; L203-T205 PolarHBondContact O-N 2.62Å; L203-T205 VanDerWaalsContact O-N 3.13Å; L203-K206 CarbonylContact C-O 3.57Å; L203-K206 PolarHBondContact N-O 3.01Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-K206 VanDerWaalsContact O-O 3.05Å; L203-I208 HydrophobicContact CB-CG2 4.27Å; L203-I208 HydrophobicContact CD1-CD1 4.34Å; L203-I208 HydrophobicContact CD1-CG2 3.74Å; L203-I208 HydrophobicContact CG-CG2 3.9Å |
| 204 | Q | 78 | Confident | 86.1 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -112.4 | -179.4 | -53.1 | 169.6 | 12.8 | 0 | 0 | 111.8 | N147 R202 | N147-Q204 PolarHBondContact ND2-NE2 2.98Å; N147-Q204 VanDerWaalsContact ND2-NE2 3.2Å; N147-Q204 PolarHBondContact ND2-OE1 2.7Å; N147-Q204 PolarHBondContact OD1-NE2 2.81Å; N147-Q204 PolarHBondContact OD1-OE1 2.69Å; R202-Q204 PolarHBondContact NE-O 2.75Å |
| 205 | T | 79.9 | Confident | 84.9 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.6 | -179 | 53.8 | 0 | 0 | 0 | 0 | 114 | L203 | L203-T205 PolarHBondContact O-N 2.62Å; L203-T205 VanDerWaalsContact O-N 3.13Å |
| 206 | K | 83.4 | Confident | 83.4 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.6 | -176.8 | -58.4 | -173.8 | -172.3 | -179.9 | 0 | 112.2 | Y143 L144 R202 L203 | Y143-K206 VanDerWaalsContact O-CB 3.23Å; Y143-K206 WeakPolarHBondContact O-CB 3.45Å; Y143-K206 WeakPolarHBondContact O-CD 3.33Å; L144-K206 WeakPolarHBondContact O-CD 3.46Å; L144-K206 PolarHBondContact O-NZ 2.93Å; R202-K206 CarbonylContact C-O 3.51Å; R202-K206 WeakPolarHBondContact CA-O 3.45Å; L203-K206 CarbonylContact C-O 3.57Å; L203-K206 PolarHBondContact N-O 3.01Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-K206 VanDerWaalsContact O-O 3.05Å |
| 207 | T | 87 | Confident | 81.8 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.1 | 170 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | Y143 G200 | Y143-T207 WeakPolarHBondContact CB-O 3.36Å; G200-T207 VanDerWaalsContact O-CG2 3.3Å; G200-T207 WeakPolarHBondContact O-CG2 3.41Å |
| 208 | I | 90.4 | Very high | 80.2 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | trans | -75.9 | 143.9 | -177.4 | 77.4 | -177.4 | 0 | 0 | 0 | 110.1 | V141 N142 L144 L156 F157 L198 G200 L201 L203 V210 | V141-I208 HydrophobicContact CG1-CB 4.29Å; V141-I208 HydrophobicContact CG1-CD1 4.29Å; N142-I208 WeakPolarHBondContact O-CA 3.31Å; L144-I208 HydrophobicContact CD2-CG2 4.01Å; L156-I208 HydrophobicContact CD2-CD1 4.48Å; F157-I208 HydrophobicContact CZ-CD1 4.34Å; L198-I208 VanDerWaalsContact O-CG1 3.3Å; L198-I208 WeakPolarHBondContact O-CG1 3.43Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; G200-I208 PolarHBondContact N-O 3.28Å; L201-I208 HydrophobicContact CB-CD1 4.02Å; L201-I208 HydrophobicContact CB-CG1 4.03Å; L201-I208 HydrophobicContact CD2-CD1 4.35Å; L201-I208 PolarHBondContact O-N 3.12Å; L203-I208 HydrophobicContact CB-CG2 4.27Å; L203-I208 HydrophobicContact CD1-CD1 4.34Å; L203-I208 HydrophobicContact CD1-CG2 3.74Å; L203-I208 HydrophobicContact CG-CG2 3.9Å; I208-V210 HydrophobicContact CD1-CG2 4.26Å; I208-V210 HydrophobicContact CG1-CG2 4.29Å | ||
| 209 | K | 89.1 | Confident | 78.7 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.4 | 173.9 | -176.2 | 174.1 | -178.9 | 175 | 0 | 109.5 | V141 N142 Y143 N199 | V141-K209 WeakPolarHBondContact CA-O 3.47Å; N142-K209 HydrophobicContact CB-CB 4.45Å; N142-K209 PolarHBondContact N-O 3.38Å; N142-K209 PolarHBondContact O-N 3.15Å; Y143-K209 HydrophobicContact CD2-CB 3.89Å; Y143-K209 HydrophobicContact CE2-CB 4.15Å; N199-K209 WeakPolarHBondContact OD1-CA 3.47Å |
| 210 | V | 90.3 | Very high | 77.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.7 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | L139 V141 F157 I195 L198 N199 I208 | L139-V210 HydrophobicContact CD1-CG1 3.78Å; V141-V210 HydrophobicContact CG1-CG2 4.13Å; V141-V210 HydrophobicContact CG2-CG1 4.4Å; V141-V210 HydrophobicContact CG2-CG2 4.32Å; F157-V210 HydrophobicContact CE1-CG1 4.08Å; F157-V210 HydrophobicContact CE1-CG2 3.99Å; F157-V210 HydrophobicContact CZ-CG2 3.82Å; I195-V210 HydrophobicContact CG1-CG1 3.94Å; L198-V210 HydrophobicContact CB-CG2 4.02Å; N199-V210 HydrophobicContact CB-CB 4.01Å; N199-V210 PolarHBondContact OD1-N 3.1Å; N199-V210 PolarHBondContact OD1-O 3.38Å; I208-V210 HydrophobicContact CD1-CG2 4.26Å; I208-V210 HydrophobicContact CG1-CG2 4.29Å |
| 211 | S | 87.7 | Confident | 76.3 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 155.3 | -178.5 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | L139 I140 A213 | L139-S211 WeakPolarHBondContact CA-O 3.48Å; I140-S211 WeakPolarHBondContact CG2-OG 3.46Å; I140-S211 PolarHBondContact N-O 3.3Å; I140-S211 PolarHBondContact O-N 3.18Å; I140-S211 VanDerWaalsContact O-N 3.11Å; S211-A213 PolarHBondContact O-N 3.44Å |
| 212 | Y | 88.4 | Confident | 75.4 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 35% | 0.349 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 127.7 | 173 | -62.2 | -69.7 | 0 | 0 | 0 | 111.5 | K136 N138 L139 I195 | K136-Y212 HydrophobicContact CB-CE1 4.3Å; K136-Y212 WeakPolarHBondContact O-CD1 3.47Å; K136-Y212 WeakPolarHBondContact O-CE1 3.48Å; N138-Y212 CarbonylContact O-C 3.51Å; N138-Y212 WeakPolarHBondContact O-CA 2.95Å; L139-Y212 HydrophobicContact CD2-CD1 3.75Å; L139-Y212 HydrophobicContact CD2-CE1 4.17Å; L139-Y212 HydrophobicContact CD2-CG 4.45Å; I195-Y212 HydrophobicContact CD1-CD1 3.7Å; I195-Y212 HydrophobicContact CD1-CD2 3.65Å; I195-Y212 HydrophobicContact CD1-CE1 3.47Å; I195-Y212 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y212 HydrophobicContact CD1-CE2 3.43Å; I195-Y212 VanDerWaalsContact CD1-CE2 3.43Å; I195-Y212 HydrophobicContact CD1-CG 3.78Å |
| 213 | A | 80.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 134.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N138 I140 F182 S211 | N138-A213 HydrophobicContact CB-CB 4.08Å; N138-A213 PolarHBondContact O-N 2.82Å; I140-A213 HydrophobicContact CB-CB 3.94Å; I140-A213 HydrophobicContact CG2-CB 4.32Å; F182-A213 HydrophobicContact CD1-CB 3.96Å; F182-A213 HydrophobicContact CE1-CB 4.22Å; S211-A213 PolarHBondContact O-N 3.44Å |
| 214 | R | 73.9 | Confident | 75.4 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 136 | 173.4 | -68.2 | 171.3 | 173.6 | -107.3 | -12.3 | 109.3 | S216 D272 | R214-S216 PolarHBondContact O-N 3.44Å; R214-D272 IonicContact CZ-OD1 3.92Å; R214-D272 IonicContact CZ-OD2 2.72Å; R214-D272 IonicContact NH1-OD1 2.7Å; R214-D272 PolarHBondContact NH1-OD1 2.82Å; R214-D272 IonicContact NH1-OD2 3.77Å; R214-D272 PolarHBondContact NH1-OD2 3.01Å |
| 215 | P | 66.4 | Low | 75.9 | Confident | 93 Ų | 93 | 59 Ų | 59 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 129.7 | 177.1 | 22.5 | -32.9 | 0 | 0 | 0 | 110.3 | S217 | P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.83Å |
| 216 | S | 58.3 | Low | 76.4 | Confident | 69 Ų | 69 | 57 Ų | 57 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | trans | -82.6 | 66.1 | -167.7 | -166.5 | 0 | 0 | 0 | 0 | 113.2 | R214 R221 | R214-S216 PolarHBondContact O-N 3.44Å; S216-R221 PolarHBondContact O-NH2 2.74Å; S216-R221 PolarHBondContact OG-NE 3.43Å; S216-R221 PolarHBondContact OG-NH2 3.1Å | ||
| 217 | S | 57.6 | Low | 76.6 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | trans | -54.6 | 158 | 169.5 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | P215 S219 I220 | P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact OG-N 2.96Å; S217-S219 PolarHBondContact OG-OG 3.16Å; S217-I220 WeakPolarHBondContact O-CG1 3.49Å; S217-I220 PolarHBondContact O-N 3.28Å; S217-I220 WeakPolarHBondContact OG-CG2 3.49Å; S217-I220 PolarHBondContact OG-N 3.46Å | ||
| 218 | A | 54 | Low | 76.7 | Confident | 83 Ų | 83 | 51.2 Ų | 51.2 | 69% | 0.686 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -60.5 | -34.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I220 R221 | A218-I220 VanDerWaalsContact C-N 3.28Å; A218-I220 PolarHBondContact O-N 3.21Å; A218-R221 PolarHBondContact O-N 3.27Å |
| 219 | S | 56.1 | Low | 76.4 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69 | -11.4 | -176.6 | 52.1 | 0 | 0 | 0 | 0 | 116 | S217 R274 | S217-S219 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact OG-N 2.96Å; S217-S219 PolarHBondContact OG-OG 3.16Å; S219-R274 WeakPolarHBondContact O-CB 3.32Å; S219-R274 PolarHBondContact O-N 3.49Å |
| 220 | I | 63.7 | Low | 76.2 | Confident | 26 Ų | 26 | 47 Ų | 47 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -97 | -2 | 175.9 | 75.3 | 162.2 | 0 | 0 | 0 | 114.7 | S217 A218 R270 D272 | S217-I220 WeakPolarHBondContact O-CG1 3.49Å; S217-I220 PolarHBondContact O-N 3.28Å; S217-I220 WeakPolarHBondContact OG-CG2 3.49Å; S217-I220 PolarHBondContact OG-N 3.46Å; A218-I220 VanDerWaalsContact C-N 3.28Å; A218-I220 PolarHBondContact O-N 3.21Å; I220-R270 PolarHBondContact O-NH2 3.38Å; I220-D272 WeakPolarHBondContact CG2-O 3.32Å |
| 221 | R | 61.8 | Low | 75.7 | Confident | 137 Ų | 137 | 47.7 Ų | 47.7 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -37.3 | -170.3 | -59.5 | -172.9 | -172.8 | -160.6 | 2.3 | 112.8 | S216 A218 N224 | S216-R221 PolarHBondContact O-NH2 2.74Å; S216-R221 PolarHBondContact OG-NE 3.43Å; S216-R221 PolarHBondContact OG-NH2 3.1Å; A218-R221 PolarHBondContact O-N 3.27Å; R221-N224 PolarHBondContact O-ND2 3.21Å |
| 222 | D | 67.8 | Low | 75.3 | Confident | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -111.1 | 18.3 | -175.9 | -49.4 | -45.1 | 0 | 0 | 0 | 112.7 | N224 F300 Q306 | D222-N224 PolarHBondContact O-N 3.44Å; D222-F300 VanDerWaalsContact O-CD1 3.28Å; D222-F300 WeakPolarHBondContact O-CD1 3.46Å; D222-F300 VanDerWaalsContact O-CE1 3.28Å; D222-F300 WeakPolarHBondContact O-CE1 3.44Å; D222-Q306 PolarHBondContact OD1-NE2 2.88Å |
| 223 | A | 81.1 | Confident | 75 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -80.3 | 22.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F271 R274 | A223-F271 HydrophobicContact CB-CB 4.31Å; A223-F271 WeakPolarHBondContact CB-O 3.37Å; A223-F271 PolarHBondContact O-N 3.34Å; A223-R274 HydrophobicContact CB-CB 4.48Å | ||
| 224 | N | 87.9 | Confident | 75.1 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.2 | 177.9 | -56.3 | -54.2 | 0 | 0 | 0 | 109.6 | R221 D222 R270 A301 | R221-N224 PolarHBondContact O-ND2 3.21Å; D222-N224 PolarHBondContact O-N 3.44Å; N224-R270 VanDerWaalsContact OD1-CD 3.26Å; N224-R270 WeakPolarHBondContact OD1-CD 3.35Å; N224-R270 VanDerWaalsContact OD1-CG 3.24Å; N224-R270 WeakPolarHBondContact OD1-CG 3.36Å; N224-A301 HydrophobicContact CB-CB 3.94Å; N224-A301 PolarHBondContact O-N 2.92Å |
| 225 | L | 88.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.5 | 174.6 | -58.8 | -172.5 | 0 | 0 | 0 | 111.3 | F243 F268 I269 F271 A277 A280 I281 V298 K299 F300 | L225-F243 HydrophobicContact CD1-CE1 4.35Å; L225-F268 WeakPolarHBondContact O-CA 3.24Å; L225-I269 PolarHBondContact N-O 3.29Å; L225-I269 PolarHBondContact O-N 3.31Å; L225-F271 HydrophobicContact CD1-CD2 3.89Å; L225-F271 HydrophobicContact CD1-CE2 3.63Å; L225-F271 HydrophobicContact CG-CD2 4.27Å; L225-F271 HydrophobicContact CG-CE2 4.44Å; L225-A277 HydrophobicContact CD1-CB 4.2Å; L225-A277 HydrophobicContact CD2-CB 3.89Å; L225-A277 HydrophobicContact CG-CB 4.05Å; L225-A280 HydrophobicContact CD1-CB 4.01Å; L225-I281 HydrophobicContact CD1-CG1 4.28Å; L225-I281 HydrophobicContact CD2-CD1 3.52Å; L225-I281 HydrophobicContact CD2-CG1 3.7Å; L225-V298 HydrophobicContact CB-CG1 4.28Å; L225-V298 HydrophobicContact CD1-CG1 3.7Å; L225-V298 HydrophobicContact CG-CG1 4.43Å; L225-K299 CarbonylContact C-O 3.57Å; L225-K299 WeakPolarHBondContact CA-O 3.45Å; L225-F300 HydrophobicContact CD2-CD1 3.98Å; L225-F300 HydrophobicContact CD2-CE1 4.22Å |
| 226 | Y | 89.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.5 | 166.3 | 174.7 | -92.4 | 0 | 0 | 0 | 107.7 | S228 V266 F268 K299 | Y226-S228 WeakPolarHBondContact CE1-OG 3.39Å; Y226-V266 HydrophobicContact CD2-CG1 4.21Å; Y226-V266 HydrophobicContact CE2-CG1 3.43Å; Y226-V266 VanDerWaalsContact CE2-CG1 3.43Å; Y226-F268 HydrophobicContact CD2-CD1 4.41Å; Y226-F268 AromaticContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE2 4.39Å; Y226-F268 AromaticContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CE2-CZ 4.18Å; Y226-K299 PolarHBondContact N-O 2.61Å; Y226-K299 PolarHBondContact O-N 3.31Å |
| 227 | V | 89.1 | Confident | 78 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127 | -178.7 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | L230 L239 F243 V266 G267 I269 I296 T297 V298 | V227-L230 HydrophobicContact CB-CD1 4.37Å; V227-L230 HydrophobicContact CG1-CD1 4.05Å; V227-L230 HydrophobicContact CG1-CD2 3.8Å; V227-L230 HydrophobicContact CG1-CG 3.91Å; V227-L239 HydrophobicContact CG1-CD1 4.37Å; V227-F243 HydrophobicContact CB-CZ 4.44Å; V227-F243 HydrophobicContact CG1-CE2 4.19Å; V227-F243 HydrophobicContact CG1-CZ 3.84Å; V227-F243 HydrophobicContact CG2-CE1 4.03Å; V227-F243 HydrophobicContact CG2-CE2 4.32Å; V227-F243 HydrophobicContact CG2-CZ 3.64Å; V227-V266 CarbonylContact O-C 3.53Å; V227-V266 VanDerWaalsContact O-CA 3.29Å; V227-V266 WeakPolarHBondContact O-CA 3.26Å; V227-G267 PolarHBondContact N-O 3Å; V227-G267 PolarHBondContact O-N 3.48Å; V227-I269 HydrophobicContact CG2-CD1 3.84Å; V227-I269 HydrophobicContact CG2-CG1 4.11Å; V227-I296 HydrophobicContact CG1-CG2 3.58Å; V227-T297 WeakPolarHBondContact CA-O 3.28Å; V227-V298 HydrophobicContact CG1-CG2 4.48Å; V227-V298 HydrophobicContact CG2-CG1 4.48Å |
| 228 | S | 88 | Confident | 79.4 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 156.3 | 178 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | Y226 G265 I296 T297 | Y226-S228 WeakPolarHBondContact CE1-OG 3.39Å; S228-G265 CarbonylContact C-O 3.51Å; S228-G265 WeakPolarHBondContact CA-O 3.13Å; S228-I296 CarbonylContact O-C 3.53Å; S228-I296 WeakPolarHBondContact O-CA 3.38Å; S228-T297 PolarHBondContact N-O 3.43Å; S228-T297 PolarHBondContact O-N 2.88Å |
| 229 | G | 83.6 | Confident | 81 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | 85.9 | 16.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G265 | G229-G265 PolarHBondContact N-O 3.15Š| ||
| 230 | L | 84.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | trans | -68.6 | 140.3 | 172 | -64.3 | 172.8 | 0 | 0 | 0 | 110 | V227 M234 L239 G265 I296 | V227-L230 HydrophobicContact CB-CD1 4.37Å; V227-L230 HydrophobicContact CG1-CD1 4.05Å; V227-L230 HydrophobicContact CG1-CD2 3.8Å; V227-L230 HydrophobicContact CG1-CG 3.91Å; L230-M234 HydrophobicContact CB-CB 4.46Å; L230-M234 HydrophobicContact CD2-CG 4.44Å; L230-L239 HydrophobicContact CD1-CD1 3.77Å; L230-L239 HydrophobicContact CD1-CD2 3.92Å; L230-L239 HydrophobicContact CD1-CG 4.46Å; L230-L239 HydrophobicContact CD2-CD1 3.66Å; L230-L239 HydrophobicContact CG-CD1 4.38Å; L230-G265 PolarHBondContact N-O 2.75Å; L230-G265 WeakPolarHBondContact O-CA 3.34Å; L230-I296 HydrophobicContact CD2-CD1 3.71Å; L230-I296 HydrophobicContact CD2-CG1 4Å | ||
| 231 | P | 80.7 | Confident | 83.7 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | trans | -65.2 | 149.6 | 175.3 | 19.8 | -20.9 | 0 | 0 | 0 | 110.7 | T233 M234 A292 | P231-T233 PolarHBondContact O-N 3.2Å; P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-SD 4.1Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.86Å; P231-A292 HydrophobicContact CB-CB 4.15Å; P231-A292 HydrophobicContact CG-CB 4.06Å | ||
| 232 | K | 79.9 | Confident | 84.8 | Confident | 170 Ų | 170 | 58.7 Ų | 58.7 | 74% | 0.739 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.4 | -176.7 | -68 | -174.9 | 176.5 | 178.6 | 0 | 113.2 | S263 | K232-S263 VanDerWaalsContact O-CB 3.31Å; K232-S263 WeakPolarHBondContact O-CB 3.35Å; K232-S263 PolarHBondContact O-OG 3.36Å; K232-S263 VanDerWaalsContact O-OG 3.07Å |
| 233 | T | 80.8 | Confident | 85.7 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -15.8 | 175 | 46.4 | 0 | 0 | 0 | 0 | 114 | P231 T235 | P231-T233 PolarHBondContact O-N 3.2Å; T233-T235 PolarHBondContact O-N 2.82Å |
| 234 | M | 82.4 | Confident | 86 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -63.6 | 121.7 | -175.6 | -160.3 | 80.8 | 174.3 | 0 | 0 | 111.1 | L230 P231 E238 L242 I254 | L230-M234 HydrophobicContact CB-CB 4.46Å; L230-M234 HydrophobicContact CD2-CG 4.44Å; P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-SD 4.1Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.86Å; M234-E238 HydrophobicContact CE-CB 3.8Å; M234-E238 HydrophobicContact SD-CB 4.17Å; M234-L242 HydrophobicContact CE-CD2 4.13Å; M234-I254 WeakPolarHBondContact O-CD1 3.42Å | ||
| 235 | T | 86.5 | Confident | 86 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | trans | -84.5 | 160.7 | 173.9 | 69 | 0 | 0 | 0 | 0 | 111.7 | T233 K237 E238 L239 I254 | T233-T235 PolarHBondContact O-N 2.82Å; T235-K237 PolarHBondContact O-N 3.45Å; T235-E238 WeakPolarHBondContact CA-OE2 3.4Å; T235-E238 VanDerWaalsContact CB-OE2 3.23Å; T235-E238 WeakPolarHBondContact CB-OE2 3.41Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.33Å; T235-E238 PolarHBondContact N-OE2 2.9Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact OG1-CD 3.31Å; T235-E238 WeakPolarHBondContact OG1-CG 3.17Å; T235-E238 PolarHBondContact OG1-N 2.64Å; T235-E238 PolarHBondContact OG1-OE2 3.35Å; T235-L239 WeakPolarHBondContact O-CB 3.47Å; T235-L239 PolarHBondContact O-N 2.78Å; T235-I254 VanDerWaalsContact C-CD1 3.49Å | ||
| 236 | Q | 86.3 | Confident | 85.9 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -33.4 | 173.4 | 179.7 | 177.5 | -20.2 | 0 | 0 | 112.2 | E240 S252 | Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 2.78Å; Q236-S252 VanDerWaalsContact CG-OG 3.23Å; Q236-S252 WeakPolarHBondContact CG-OG 3.46Å; Q236-S252 PolarHBondContact NE2-O 3.22Å; Q236-S252 PolarHBondContact NE2-OG 2.76Å |
| 237 | K | 87.3 | Confident | 85.7 | Confident | 161 Ų | 161 | 63.5 Ų | 63.5 | 70% | 0.7 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70 | -43.9 | -179.7 | -172.9 | -175.3 | 177.2 | -171.9 | 0 | 111.9 | T235 L239 E240 Q241 | T235-K237 PolarHBondContact O-N 3.45Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-E240 PolarHBondContact O-N 2.96Å; K237-Q241 WeakPolarHBondContact O-CB 3.41Å; K237-Q241 PolarHBondContact O-N 3.27Å |
| 238 | E | 86.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 176.1 | -67.2 | 156 | 131.7 | 0 | 0 | 111.2 | M234 T235 E240 Q241 L242 | M234-E238 HydrophobicContact CE-CB 3.8Å; M234-E238 HydrophobicContact SD-CB 4.17Å; T235-E238 WeakPolarHBondContact CA-OE2 3.4Å; T235-E238 VanDerWaalsContact CB-OE2 3.23Å; T235-E238 WeakPolarHBondContact CB-OE2 3.41Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.33Å; T235-E238 PolarHBondContact N-OE2 2.9Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact OG1-CD 3.31Å; T235-E238 WeakPolarHBondContact OG1-CG 3.17Å; T235-E238 PolarHBondContact OG1-N 2.64Å; T235-E238 PolarHBondContact OG1-OE2 3.35Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-Q241 PolarHBondContact O-N 3.47Å; E238-L242 WeakPolarHBondContact O-CB 3.41Å; E238-L242 PolarHBondContact O-N 3.19Å |
| 239 | L | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.8 | -177.8 | 65.4 | 0 | 0 | 0 | 111.5 | V227 L230 T235 K237 F243 I254 I269 | V227-L239 HydrophobicContact CG1-CD1 4.37Å; L230-L239 HydrophobicContact CD1-CD1 3.77Å; L230-L239 HydrophobicContact CD1-CD2 3.92Å; L230-L239 HydrophobicContact CD1-CG 4.46Å; L230-L239 HydrophobicContact CD2-CD1 3.66Å; L230-L239 HydrophobicContact CG-CD1 4.38Å; T235-L239 WeakPolarHBondContact O-CB 3.47Å; T235-L239 PolarHBondContact O-N 2.78Å; K237-L239 VanDerWaalsContact C-N 3.33Å; L239-F243 HydrophobicContact CD1-CD2 3.88Å; L239-F243 HydrophobicContact CD1-CE2 3.65Å; L239-F243 WeakPolarHBondContact O-CD2 3.43Å; L239-F243 PolarHBondContact O-N 2.88Å; L239-I254 HydrophobicContact CB-CD1 4.44Å; L239-I254 HydrophobicContact CD2-CD1 4.17Å; L239-I254 HydrophobicContact CD2-CG1 3.73Å; L239-I269 HydrophobicContact CD1-CD1 3.89Å; L239-I269 HydrophobicContact CD2-CD1 4.19Å; L239-I269 HydrophobicContact CD2-CG1 4.2Å; L239-I269 HydrophobicContact CG-CD1 3.79Å; L239-I269 HydrophobicContact CG-CG1 4.29Å |
| 240 | E | 88.9 | Confident | 85.6 | Confident | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176 | -166.4 | 165.7 | 123.9 | 0 | 0 | 111.5 | Q236 K237 E238 L242 F243 S244 I249 S252 | Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 2.78Å; K237-E240 PolarHBondContact O-N 2.96Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 3Å; E240-F243 PolarHBondContact O-N 3.04Å; E240-S244 VanDerWaalsContact O-CB 3.25Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.4Å; E240-S244 PolarHBondContact O-OG 3.41Å; E240-I249 HydrophobicContact CB-CD1 4.37Å; E240-I249 HydrophobicContact CG-CB 4.38Å; E240-I249 HydrophobicContact CG-CD1 3.79Å; E240-I249 HydrophobicContact CG-CG2 4.3Å; E240-I249 VanDerWaalsContact O-CD1 3.23Å; E240-I249 WeakPolarHBondContact O-CD1 3.34Å; E240-S252 VanDerWaalsContact OE2-CB 3.31Å; E240-S252 WeakPolarHBondContact OE2-CB 3.33Å; E240-S252 PolarHBondContact OE2-OG 2.86Å |
| 241 | Q | 87.6 | Confident | 85.5 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.2 | -46.1 | 178.1 | -174.1 | 171.7 | -18.5 | 0 | 0 | 112.2 | K237 E238 F243 S244 | K237-Q241 WeakPolarHBondContact O-CB 3.41Å; K237-Q241 PolarHBondContact O-N 3.27Å; E238-Q241 PolarHBondContact O-N 3.47Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 3.46Å; Q241-S244 PolarHBondContact O-N 2.92Å; Q241-S244 PolarHBondContact O-OG 2.83Å |
| 242 | L | 85.7 | Confident | 85.8 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -35.8 | 178.8 | 179.5 | 63.8 | 0 | 0 | 0 | 112.8 | M234 E238 E240 Q245 L284 I296 | M234-L242 HydrophobicContact CE-CD2 4.13Å; E238-L242 WeakPolarHBondContact O-CB 3.41Å; E238-L242 PolarHBondContact O-N 3.19Å; E240-L242 PolarHBondContact O-N 3Å; L242-Q245 PolarHBondContact O-NE2 3.17Å; L242-L284 HydrophobicContact CD1-CD2 4.24Å; L242-L284 HydrophobicContact CG-CD1 4.49Å; L242-L284 HydrophobicContact CG-CD2 4.35Å; L242-I296 HydrophobicContact CD2-CD1 4.01Å |
| 243 | F | 86.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -91.1 | -22.7 | -178.6 | -81.6 | -104.7 | 0 | 0 | 0 | 113.3 | L225 V227 L239 E240 Q241 Q245 Y246 I249 I269 F271 A280 L284 V298 | L225-F243 HydrophobicContact CD1-CE1 4.35Å; V227-F243 HydrophobicContact CB-CZ 4.44Å; V227-F243 HydrophobicContact CG1-CE2 4.19Å; V227-F243 HydrophobicContact CG1-CZ 3.84Å; V227-F243 HydrophobicContact CG2-CE1 4.03Å; V227-F243 HydrophobicContact CG2-CE2 4.32Å; V227-F243 HydrophobicContact CG2-CZ 3.64Å; L239-F243 HydrophobicContact CD1-CD2 3.88Å; L239-F243 HydrophobicContact CD1-CE2 3.65Å; L239-F243 WeakPolarHBondContact O-CD2 3.43Å; L239-F243 PolarHBondContact O-N 2.88Å; E240-F243 PolarHBondContact O-N 3.04Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 3.46Å; F243-Q245 PolarHBondContact O-N 2.74Å; F243-Q245 VanDerWaalsContact O-N 3.15Å; F243-Y246 PolarHBondContact O-N 2.97Å; F243-Y246 VanDerWaalsContact O-N 3.1Å; F243-I249 HydrophobicContact CB-CD1 3.68Å; F243-I269 HydrophobicContact CB-CD1 3.8Å; F243-I269 HydrophobicContact CD1-CD1 3.5Å; F243-I269 HydrophobicContact CD2-CD1 3.4Å; F243-I269 HydrophobicContact CE1-CD1 3.81Å; F243-I269 HydrophobicContact CE2-CD1 3.72Å; F243-I269 HydrophobicContact CG-CD1 3.27Å; F243-I269 HydrophobicContact CZ-CD1 3.91Å; F243-F271 HydrophobicContact CB-CE2 4.5Å; F243-F271 HydrophobicContact CB-CZ 3.95Å; F243-F271 AromaticContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CZ 4.02Å; F243-F271 WeakPolarHBondContact O-CZ 3.4Å; F243-A280 HydrophobicContact CD1-CB 4.22Å; F243-L284 HydrophobicContact CD1-CD1 3.49Å; F243-L284 VanDerWaalsContact CD1-CD1 3.49Å; F243-L284 HydrophobicContact CD2-CD1 3.75Å; F243-L284 HydrophobicContact CE1-CD1 3.43Å; F243-L284 VanDerWaalsContact CE1-CD1 3.43Å; F243-L284 HydrophobicContact CE2-CD1 3.68Å; F243-L284 HydrophobicContact CG-CD1 3.67Å; F243-L284 HydrophobicContact CZ-CB 4.42Å; F243-L284 HydrophobicContact CZ-CD1 3.53Å; F243-V298 HydrophobicContact CE1-CG1 3.89Å; F243-V298 HydrophobicContact CE1-CG2 4.02Å; F243-V298 HydrophobicContact CZ-CG1 4.33Å; F243-V298 HydrophobicContact CZ-CG2 3.73Å |
| 244 | S | 88.4 | Confident | 86.5 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -19.5 | -178.7 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | E240 Q241 Y246 G247 | E240-S244 VanDerWaalsContact O-CB 3.25Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.4Å; E240-S244 PolarHBondContact O-OG 3.41Å; Q241-S244 PolarHBondContact O-N 2.92Å; Q241-S244 PolarHBondContact O-OG 2.83Å; S244-Y246 PolarHBondContact O-N 2.91Å; S244-G247 WeakPolarHBondContact CA-O 3.35Å; S244-G247 PolarHBondContact O-N 2.94Å |
| 245 | Q | 87.6 | Confident | 86.6 | Confident | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.1 | 175.4 | 71.6 | -173.1 | -49.4 | 0 | 0 | 113.1 | L242 F243 | L242-Q245 PolarHBondContact O-NE2 3.17Å; F243-Q245 PolarHBondContact O-N 2.74Å; F243-Q245 VanDerWaalsContact O-N 3.15Å |
| 246 | Y | 86.3 | Confident | 86.6 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -9.4 | 179.6 | -62.5 | -81.8 | 0 | 0 | 0 | 113.6 | F243 S244 E276 A280 L284 | F243-Y246 PolarHBondContact O-N 2.97Å; F243-Y246 VanDerWaalsContact O-N 3.1Å; S244-Y246 PolarHBondContact O-N 2.91Å; Y246-E276 WeakPolarHBondContact O-CB 3.37Å; Y246-A280 HydrophobicContact CD2-CB 4.28Å; Y246-A280 HydrophobicContact CG-CB 4.02Å; Y246-L284 HydrophobicContact CD2-CD1 3.85Å; Y246-L284 HydrophobicContact CD2-CG 4.17Å; Y246-L284 HydrophobicContact CE2-CD1 3.56Å; Y246-L284 HydrophobicContact CE2-CD2 3.67Å; Y246-L284 HydrophobicContact CE2-CG 3.44Å; Y246-L284 VanDerWaalsContact CE2-CG 3.44Å |
| 247 | G | 84.9 | Confident | 86.4 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 158.8 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S244 I249 E276 | S244-G247 WeakPolarHBondContact CA-O 3.35Å; S244-G247 PolarHBondContact O-N 2.94Å; G247-I249 PolarHBondContact O-N 2.84Å; G247-E276 VanDerWaalsContact CA-OE2 3.28Å; G247-E276 WeakPolarHBondContact CA-OE2 3.4Å |
| 248 | R | 85.8 | Confident | 85.8 | Confident | 155 Ų | 155 | 72.6 Ų | 72.6 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | trans | -84.3 | 116.8 | -174.7 | -176.4 | -177.9 | -65.8 | -106.1 | 2.6 | 110.2 | F271 D272 E276 | R248-F271 CarbonylContact O-C 3.53Å; R248-F271 WeakPolarHBondContact O-CA 3.44Å; R248-D272 HydrophobicContact CB-CB 3.98Å; R248-D272 WeakPolarHBondContact O-CB 3.49Å; R248-D272 PolarHBondContact O-N 3.31Å; R248-E276 PolarHBondContact N-OE2 2.81Å | ||
| 249 | I | 88.6 | Confident | 85.4 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135 | 174.4 | -62.6 | 168.7 | 0 | 0 | 0 | 109.7 | E240 F243 G247 I269 F271 | E240-I249 HydrophobicContact CB-CD1 4.37Å; E240-I249 HydrophobicContact CG-CB 4.38Å; E240-I249 HydrophobicContact CG-CD1 3.79Å; E240-I249 HydrophobicContact CG-CG2 4.3Å; E240-I249 VanDerWaalsContact O-CD1 3.23Å; E240-I249 WeakPolarHBondContact O-CD1 3.34Å; F243-I249 HydrophobicContact CB-CD1 3.68Å; G247-I249 PolarHBondContact O-N 2.84Å; I249-I269 HydrophobicContact CD1-CG2 4.03Å; I249-I269 HydrophobicContact CG1-CG2 3.89Å; I249-I269 HydrophobicContact CG2-CG2 3.97Å; I249-F271 HydrophobicContact CG1-CD1 4.46Å; I249-F271 HydrophobicContact CG1-CE1 4.11Å; I249-F271 HydrophobicContact CG1-CZ 4.26Å |
| 250 | I | 84.1 | Confident | 84.9 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 32% | 0.323 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -40.5 | 177.2 | -55 | -60.4 | 0 | 0 | 0 | 110.6 | R270 D272 | I250-R270 HydrophobicContact CB-CB 4.44Å; I250-R270 HydrophobicContact CB-CG 4.25Å; I250-R270 PolarHBondContact N-O 3.46Å; I250-D272 HydrophobicContact CD1-CB 3.94Å; I250-D272 HydrophobicContact CG1-CB 4.23Å |
| 251 | T | 82.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 125.2 | 172.4 | 56 | 0 | 0 | 0 | 0 | 110.8 | I269 R270 | T251-I269 CarbonylContact O-C 3.47Å; T251-I269 WeakPolarHBondContact O-CA 3.27Å; T251-R270 PolarHBondContact O-N 2.87Å; T251-R270 WeakPolarHBondContact OG1-CB 3.33Å |
| 252 | S | 87.4 | Confident | 83.6 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.8 | 161 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | Q236 E240 F268 | Q236-S252 VanDerWaalsContact CG-OG 3.23Å; Q236-S252 WeakPolarHBondContact CG-OG 3.46Å; Q236-S252 PolarHBondContact NE2-O 3.22Å; Q236-S252 PolarHBondContact NE2-OG 2.76Å; E240-S252 VanDerWaalsContact OE2-CB 3.31Å; E240-S252 WeakPolarHBondContact OE2-CB 3.33Å; E240-S252 PolarHBondContact OE2-OG 2.86Å; S252-F268 CarbonylContact C-O 3.51Å |
| 253 | R | 86.5 | Confident | 83.3 | Confident | 171 Ų | 171 | 72.9 Ų | 72.9 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 133.1 | 167.4 | -177.4 | 174 | -178.2 | 177.9 | 2.6 | 111.1 | G267 F268 | R253-G267 CarbonylContact O-C 3.5Å; R253-G267 WeakPolarHBondContact O-CA 3.03Å; R253-F268 PolarHBondContact N-O 3.17Å; R253-F268 PolarHBondContact O-N 3.5Å |
| 254 | I | 88.6 | Confident | 83.1 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.128 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 144.7 | 168 | -65.3 | -178.3 | 0 | 0 | 0 | 109.8 | M234 T235 L239 | M234-I254 WeakPolarHBondContact O-CD1 3.42Å; T235-I254 VanDerWaalsContact C-CD1 3.49Å; L239-I254 HydrophobicContact CB-CD1 4.44Å; L239-I254 HydrophobicContact CD2-CD1 4.17Å; L239-I254 HydrophobicContact CD2-CG1 3.73Å |
| 255 | L | 85.8 | Confident | 82.8 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.3 | 168.5 | -98.5 | 60.3 | 0 | 0 | 0 | 109.3 | R264 V266 F268 | L255-R264 WeakPolarHBondContact O-CB 3.48Å; L255-R264 PolarHBondContact O-N 2.87Å; L255-V266 HydrophobicContact CB-CB 4.45Å; L255-V266 HydrophobicContact CD2-CG1 4.32Å; L255-V266 PolarHBondContact N-O 2.95Å; L255-F268 HydrophobicContact CD1-CD2 3.63Å; L255-F268 HydrophobicContact CD1-CE2 3.6Å; L255-F268 HydrophobicContact CD2-CE2 4Å; L255-F268 HydrophobicContact CG-CE2 4.46Å |
| 256 | V | 85 | Confident | 82.8 | Confident | 82 Ų | 82 | 73 Ų | 73 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 151.9 | 160.1 | -64.9 | 0 | 0 | 0 | 0 | 110 | ||
| 257 | D | 82.9 | Confident | 82.9 | Confident | 42 Ų | 42 | 70 Ų | 70 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | trans | -73.6 | 139.3 | 166.6 | 174.9 | 37.6 | 0 | 0 | 0 | 109.7 | V259 T260 G261 G262 R264 | D257-V259 PolarHBondContact OD1-N 3.24Å; D257-V259 PolarHBondContact OD2-N 2.95Å; D257-T260 WeakPolarHBondContact OD2-CB 3.15Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.36Å; D257-T260 PolarHBondContact OD2-N 3.32Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å; D257-G261 WeakPolarHBondContact O-CA 3.34Å; D257-G261 PolarHBondContact O-N 2.94Å; D257-G262 WeakPolarHBondContact CB-O 3.31Å; D257-G262 PolarHBondContact N-O 3.2Å; D257-R264 HydrophobicContact CB-CG 3.9Å | ||
| 258 | Q | 74.8 | Confident | 83.2 | Confident | 193 Ų | 193 | 72.8 Ų | 72.8 | 90% | 0.902 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -20.2 | -177.9 | -69 | -178.1 | -23 | 0 | 0 | 112.7 | ||
| 259 | V | 77.6 | Confident | 83.4 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 81% | 0.806 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -48.2 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | D257 | D257-V259 PolarHBondContact OD1-N 3.24Å; D257-V259 PolarHBondContact OD2-N 2.95Å |
| 260 | T | 77.3 | Confident | 83.3 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 68% | 0.681 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.1 | -176.9 | 62 | 0 | 0 | 0 | 0 | 114.4 | D257 G262 | D257-T260 WeakPolarHBondContact OD2-CB 3.15Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.36Å; D257-T260 PolarHBondContact OD2-N 3.32Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å; T260-G262 PolarHBondContact O-N 3.24Å; T260-G262 PolarHBondContact OG1-N 2.94Å |
| 261 | G | 73.8 | Confident | 83.5 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | trans | 69.4 | -9.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D257 | D257-G261 WeakPolarHBondContact O-CA 3.34Å; D257-G261 PolarHBondContact O-N 2.94Å | ||
| 262 | G | 75.3 | Confident | 83.5 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | trans | -76 | 142.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D257 T260 R264 | D257-G262 WeakPolarHBondContact CB-O 3.31Å; D257-G262 PolarHBondContact N-O 3.2Å; T260-G262 PolarHBondContact O-N 3.24Å; T260-G262 PolarHBondContact OG1-N 2.94Å; G262-R264 PolarHBondContact O-N 2.76Å | ||
| 263 | S | 80.4 | Confident | 83.3 | Confident | 29 Ų | 29 | 67 Ų | 67 | 20% | 0.203 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 124.3 | 172.3 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | K232 G265 | K232-S263 VanDerWaalsContact O-CB 3.31Å; K232-S263 WeakPolarHBondContact O-CB 3.35Å; K232-S263 PolarHBondContact O-OG 3.36Å; K232-S263 VanDerWaalsContact O-OG 3.07Å; S263-G265 PolarHBondContact O-N 3.3Å; S263-G265 VanDerWaalsContact O-N 3.11Å |
| 264 | R | 80.5 | Confident | 83.2 | Confident | 166 Ų | 166 | 63 Ų | 63 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 7.5 | 179.1 | -64.8 | -173.9 | 62.4 | 165.7 | 0.4 | 114 | L255 D257 G262 V266 | L255-R264 WeakPolarHBondContact O-CB 3.48Å; L255-R264 PolarHBondContact O-N 2.87Å; D257-R264 HydrophobicContact CB-CG 3.9Å; G262-R264 PolarHBondContact O-N 2.76Å; R264-V266 PolarHBondContact O-N 2.97Å |
| 265 | G | 81.9 | Confident | 83.1 | Confident | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.4 | 22 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | S228 G229 L230 S263 | S228-G265 CarbonylContact C-O 3.51Å; S228-G265 WeakPolarHBondContact CA-O 3.13Å; G229-G265 PolarHBondContact N-O 3.15Å; L230-G265 PolarHBondContact N-O 2.75Å; L230-G265 WeakPolarHBondContact O-CA 3.34Å; S263-G265 PolarHBondContact O-N 3.3Å; S263-G265 VanDerWaalsContact O-N 3.11Å |
| 266 | V | 87.6 | Confident | 83.3 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138 | -175.7 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | Y226 V227 L255 R264 | Y226-V266 HydrophobicContact CD2-CG1 4.21Å; Y226-V266 HydrophobicContact CE2-CG1 3.43Å; Y226-V266 VanDerWaalsContact CE2-CG1 3.43Å; V227-V266 CarbonylContact O-C 3.53Å; V227-V266 VanDerWaalsContact O-CA 3.29Å; V227-V266 WeakPolarHBondContact O-CA 3.26Å; L255-V266 HydrophobicContact CB-CB 4.45Å; L255-V266 HydrophobicContact CD2-CG1 4.32Å; L255-V266 PolarHBondContact N-O 2.95Å; R264-V266 PolarHBondContact O-N 2.97Å |
| 267 | G | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V227 R253 | V227-G267 PolarHBondContact N-O 3Å; V227-G267 PolarHBondContact O-N 3.48Å; R253-G267 CarbonylContact O-C 3.5Å; R253-G267 WeakPolarHBondContact O-CA 3.03Å |
| 268 | F | 90.8 | Very high | 83.7 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.7 | 171.5 | -67.9 | -93.7 | 0 | 0 | 0 | 108.8 | L225 Y226 S252 R253 L255 A301 | L225-F268 WeakPolarHBondContact O-CA 3.24Å; Y226-F268 HydrophobicContact CD2-CD1 4.41Å; Y226-F268 AromaticContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE2 4.39Å; Y226-F268 AromaticContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CE2-CZ 4.18Å; S252-F268 CarbonylContact C-O 3.51Å; R253-F268 PolarHBondContact N-O 3.17Å; R253-F268 PolarHBondContact O-N 3.5Å; L255-F268 HydrophobicContact CD1-CD2 3.63Å; L255-F268 HydrophobicContact CD1-CE2 3.6Å; L255-F268 HydrophobicContact CD2-CE2 4Å; L255-F268 HydrophobicContact CG-CE2 4.46Å; F268-A301 HydrophobicContact CD1-CB 3.84Å; F268-A301 HydrophobicContact CE1-CB 3.95Å |
| 269 | I | 90.1 | Very high | 84.3 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.3 | 177.2 | -56.8 | 178.1 | 0 | 0 | 0 | 107.4 | L225 V227 L239 F243 I249 T251 F271 | L225-I269 PolarHBondContact N-O 3.29Å; L225-I269 PolarHBondContact O-N 3.31Å; V227-I269 HydrophobicContact CG2-CD1 3.84Å; V227-I269 HydrophobicContact CG2-CG1 4.11Å; L239-I269 HydrophobicContact CD1-CD1 3.89Å; L239-I269 HydrophobicContact CD2-CD1 4.19Å; L239-I269 HydrophobicContact CD2-CG1 4.2Å; L239-I269 HydrophobicContact CG-CD1 3.79Å; L239-I269 HydrophobicContact CG-CG1 4.29Å; F243-I269 HydrophobicContact CB-CD1 3.8Å; F243-I269 HydrophobicContact CD1-CD1 3.5Å; F243-I269 HydrophobicContact CD2-CD1 3.4Å; F243-I269 HydrophobicContact CE1-CD1 3.81Å; F243-I269 HydrophobicContact CE2-CD1 3.72Å; F243-I269 HydrophobicContact CG-CD1 3.27Å; F243-I269 HydrophobicContact CZ-CD1 3.91Å; I249-I269 HydrophobicContact CD1-CG2 4.03Å; I249-I269 HydrophobicContact CG1-CG2 3.89Å; I249-I269 HydrophobicContact CG2-CG2 3.97Å; T251-I269 CarbonylContact O-C 3.47Å; T251-I269 WeakPolarHBondContact O-CA 3.27Å; I269-F271 HydrophobicContact CG2-CD2 4.06Å; I269-F271 HydrophobicContact CG2-CE2 3.78Å; I269-F271 HydrophobicContact CG2-CZ 4.47Å |
| 270 | R | 87.3 | Confident | 84.9 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.2 | 170.6 | -176.3 | 172.9 | -173.2 | 180 | 3.6 | 109.2 | I220 N224 I250 T251 | I220-R270 PolarHBondContact O-NH2 3.38Å; N224-R270 VanDerWaalsContact OD1-CD 3.26Å; N224-R270 WeakPolarHBondContact OD1-CD 3.35Å; N224-R270 VanDerWaalsContact OD1-CG 3.24Å; N224-R270 WeakPolarHBondContact OD1-CG 3.36Å; I250-R270 HydrophobicContact CB-CB 4.44Å; I250-R270 HydrophobicContact CB-CG 4.25Å; I250-R270 PolarHBondContact N-O 3.46Å; T251-R270 PolarHBondContact O-N 2.87Å; T251-R270 WeakPolarHBondContact OG1-CB 3.33Å |
| 271 | F | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 163.2 | 169.8 | -80.2 | -91.3 | 0 | 0 | 0 | 111.6 | A223 L225 F243 R248 I249 I269 E276 A277 A280 | A223-F271 HydrophobicContact CB-CB 4.31Å; A223-F271 WeakPolarHBondContact CB-O 3.37Å; A223-F271 PolarHBondContact O-N 3.34Å; L225-F271 HydrophobicContact CD1-CD2 3.89Å; L225-F271 HydrophobicContact CD1-CE2 3.63Å; L225-F271 HydrophobicContact CG-CD2 4.27Å; L225-F271 HydrophobicContact CG-CE2 4.44Å; F243-F271 HydrophobicContact CB-CE2 4.5Å; F243-F271 HydrophobicContact CB-CZ 3.95Å; F243-F271 AromaticContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CZ 4.02Å; F243-F271 WeakPolarHBondContact O-CZ 3.4Å; R248-F271 CarbonylContact O-C 3.53Å; R248-F271 WeakPolarHBondContact O-CA 3.44Å; I249-F271 HydrophobicContact CG1-CD1 4.46Å; I249-F271 HydrophobicContact CG1-CE1 4.11Å; I249-F271 HydrophobicContact CG1-CZ 4.26Å; I269-F271 HydrophobicContact CG2-CD2 4.06Å; I269-F271 HydrophobicContact CG2-CE2 3.78Å; I269-F271 HydrophobicContact CG2-CZ 4.47Å; F271-E276 HydrophobicContact CB-CB 4.45Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CG-CB 4.38Å; F271-A277 HydrophobicContact CB-CB 4.11Å; F271-A277 HydrophobicContact CD2-CB 4.03Å; F271-A277 HydrophobicContact CG-CB 4.25Å; F271-A280 HydrophobicContact CE2-CB 3.86Å; F271-A280 HydrophobicContact CZ-CB 3.72Å |
| 272 | D | 82.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.5 | -46.9 | 172.8 | -161.1 | 15.1 | 0 | 0 | 0 | 110.5 | R214 I220 R248 I250 | R214-D272 IonicContact CZ-OD1 3.92Å; R214-D272 IonicContact CZ-OD2 2.72Å; R214-D272 IonicContact NH1-OD1 2.7Å; R214-D272 PolarHBondContact NH1-OD1 2.82Å; R214-D272 IonicContact NH1-OD2 3.77Å; R214-D272 PolarHBondContact NH1-OD2 3.01Å; I220-D272 WeakPolarHBondContact CG2-O 3.32Å; R248-D272 HydrophobicContact CB-CB 3.98Å; R248-D272 WeakPolarHBondContact O-CB 3.49Å; R248-D272 PolarHBondContact O-N 3.31Å; I250-D272 HydrophobicContact CD1-CB 3.94Å; I250-D272 HydrophobicContact CG1-CB 4.23Å |
| 273 | K | 83.9 | Confident | 86.4 | Confident | 99 Ų | 99 | 56 Ų | 56 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -117.5 | 144.3 | 179.9 | -50.9 | -170.5 | -162.8 | 92.6 | 0 | 111.9 | I275 E276 A277 | K273-I275 PolarHBondContact O-N 3.49Å; K273-E276 HydrophobicContact CB-CB 4.45Å; K273-E276 HydrophobicContact CB-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.46Å; K273-E276 WeakPolarHBondContact CE-OE1 3.45Å; K273-E276 WeakPolarHBondContact CG-OE1 3.34Å; K273-E276 IonicContact NZ-OE1 3.09Å; K273-E276 PolarHBondContact NZ-OE1 3.42Å; K273-E276 PolarHBondContact O-N 3.45Å; K273-A277 PolarHBondContact O-N 3.38Å |
| 274 | R | 84.6 | Confident | 86.6 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -33.4 | 171 | -173.2 | 177.4 | 175.4 | -70.2 | -18.5 | 113.1 | S219 A223 A277 E278 F300 | S219-R274 WeakPolarHBondContact O-CB 3.32Å; S219-R274 PolarHBondContact O-N 3.49Å; A223-R274 HydrophobicContact CB-CB 4.48Å; R274-A277 WeakPolarHBondContact O-CB 3.47Å; R274-A277 PolarHBondContact O-N 3.45Å; R274-E278 IonicContact CZ-OE1 2.58Å; R274-E278 IonicContact CZ-OE2 2.72Å; R274-E278 IonicContact NH1-OE1 3.23Å; R274-E278 PolarHBondContact NH1-OE1 3.4Å; R274-E278 IonicContact NH1-OE2 2.75Å; R274-E278 PolarHBondContact NH1-OE2 3.41Å; R274-E278 IonicContact NH2-OE1 2.83Å; R274-E278 PolarHBondContact NH2-OE1 2.99Å; R274-E278 WeakPolarHBondContact O-CG 3.1Å; R274-E278 PolarHBondContact O-N 3.38Å; R274-F300 HydrophobicContact CG-CE1 4.15Å; R274-F300 HydrophobicContact CG-CZ 4.22Å |
| 275 | I | 86.8 | Confident | 86.8 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 55% | 0.549 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -49.8 | 178.8 | -60.2 | 170.2 | 0 | 0 | 0 | 110.8 | K273 A277 E278 E279 | K273-I275 PolarHBondContact O-N 3.49Å; I275-A277 PolarHBondContact O-N 3.09Å; I275-E278 WeakPolarHBondContact O-CA 3.43Å; I275-E278 WeakPolarHBondContact O-CB 3.5Å; I275-E278 PolarHBondContact O-N 2.86Å; I275-E279 PolarHBondContact O-N 3.06Å |
| 276 | E | 88.9 | Confident | 86.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.3 | -36.5 | 173.9 | -67.1 | 167.5 | -154.2 | 0 | 0 | 111.5 | Y246 G247 R248 F271 K273 A280 | Y246-E276 WeakPolarHBondContact O-CB 3.37Å; G247-E276 VanDerWaalsContact CA-OE2 3.28Å; G247-E276 WeakPolarHBondContact CA-OE2 3.4Å; R248-E276 PolarHBondContact N-OE2 2.81Å; F271-E276 HydrophobicContact CB-CB 4.45Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CG-CB 4.38Å; K273-E276 HydrophobicContact CB-CB 4.45Å; K273-E276 HydrophobicContact CB-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.46Å; K273-E276 WeakPolarHBondContact CE-OE1 3.45Å; K273-E276 WeakPolarHBondContact CG-OE1 3.34Å; K273-E276 IonicContact NZ-OE1 3.09Å; K273-E276 PolarHBondContact NZ-OE1 3.42Å; K273-E276 PolarHBondContact O-N 3.45Å; E276-A280 VanDerWaalsContact O-CB 3.31Å; E276-A280 WeakPolarHBondContact O-CB 3.36Å; E276-A280 PolarHBondContact O-N 2.83Å |
| 277 | A | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L225 F271 K273 R274 I275 I281 F300 | L225-A277 HydrophobicContact CD1-CB 4.2Å; L225-A277 HydrophobicContact CD2-CB 3.89Å; L225-A277 HydrophobicContact CG-CB 4.05Å; F271-A277 HydrophobicContact CB-CB 4.11Å; F271-A277 HydrophobicContact CD2-CB 4.03Å; F271-A277 HydrophobicContact CG-CB 4.25Å; K273-A277 PolarHBondContact O-N 3.38Å; R274-A277 WeakPolarHBondContact O-CB 3.47Å; R274-A277 PolarHBondContact O-N 3.45Å; I275-A277 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-CG1 3.27Å; A277-I281 WeakPolarHBondContact O-CG1 3.26Å; A277-I281 PolarHBondContact O-N 3.44Å; A277-F300 HydrophobicContact CB-CE1 4.38Å |
| 278 | E | 88.3 | Confident | 85.4 | Confident | 76 Ų | 76 | 62 Ų | 62 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 174.3 | -72 | 178.7 | 131.6 | 0 | 0 | 111.8 | R274 I275 I281 K282 F300 | R274-E278 IonicContact CZ-OE1 2.58Å; R274-E278 IonicContact CZ-OE2 2.72Å; R274-E278 IonicContact NH1-OE1 3.23Å; R274-E278 PolarHBondContact NH1-OE1 3.4Å; R274-E278 IonicContact NH1-OE2 2.75Å; R274-E278 PolarHBondContact NH1-OE2 3.41Å; R274-E278 IonicContact NH2-OE1 2.83Å; R274-E278 PolarHBondContact NH2-OE1 2.99Å; R274-E278 WeakPolarHBondContact O-CG 3.1Å; R274-E278 PolarHBondContact O-N 3.38Å; I275-E278 WeakPolarHBondContact O-CA 3.43Å; I275-E278 WeakPolarHBondContact O-CB 3.5Å; I275-E278 PolarHBondContact O-N 2.86Å; E278-I281 PolarHBondContact O-N 3.31Å; E278-K282 WeakPolarHBondContact O-CB 3.49Å; E278-K282 PolarHBondContact O-N 2.92Å; E278-F300 HydrophobicContact CG-CE2 4.11Å; E278-F300 HydrophobicContact CG-CZ 3.55Å |
| 279 | E | 88.6 | Confident | 84.1 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.4 | -65.9 | -174.9 | 105.9 | 0 | 0 | 111.4 | I275 K282 G283 | I275-E279 PolarHBondContact O-N 3.06Å; E279-K282 PolarHBondContact O-N 3.45Å; E279-G283 PolarHBondContact O-N 2.72Å |
| 280 | A | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L225 F243 Y246 F271 E276 L284 | L225-A280 HydrophobicContact CD1-CB 4.01Å; F243-A280 HydrophobicContact CD1-CB 4.22Å; Y246-A280 HydrophobicContact CD2-CB 4.28Å; Y246-A280 HydrophobicContact CG-CB 4.02Å; F271-A280 HydrophobicContact CE2-CB 3.86Å; F271-A280 HydrophobicContact CZ-CB 3.72Å; E276-A280 VanDerWaalsContact O-CB 3.31Å; E276-A280 WeakPolarHBondContact O-CB 3.36Å; E276-A280 PolarHBondContact O-N 2.83Å; A280-L284 WeakPolarHBondContact O-CB 3.44Å; A280-L284 PolarHBondContact O-N 3.49Å |
| 281 | I | 89.1 | Confident | 81.1 | Confident | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -51.7 | 170.6 | -72 | 161 | 0 | 0 | 0 | 109.8 | L225 A277 E278 G283 N285 V298 F300 | L225-I281 HydrophobicContact CD1-CG1 4.28Å; L225-I281 HydrophobicContact CD2-CD1 3.52Å; L225-I281 HydrophobicContact CD2-CG1 3.7Å; A277-I281 VanDerWaalsContact O-CG1 3.27Å; A277-I281 WeakPolarHBondContact O-CG1 3.26Å; A277-I281 PolarHBondContact O-N 3.44Å; E278-I281 PolarHBondContact O-N 3.31Å; I281-G283 VanDerWaalsContact C-N 3.3Å; I281-G283 PolarHBondContact O-N 2.75Å; I281-N285 HydrophobicContact CG2-CB 4.35Å; I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 3.27Å; I281-V298 HydrophobicContact CG1-CB 4.43Å; I281-V298 HydrophobicContact CG1-CG1 3.82Å; I281-F300 HydrophobicContact CD1-CD1 4.32Å; I281-F300 HydrophobicContact CD1-CD2 3.71Å; I281-F300 HydrophobicContact CD1-CE1 4.21Å; I281-F300 HydrophobicContact CD1-CE2 3.59Å; I281-F300 HydrophobicContact CD1-CG 4.1Å; I281-F300 HydrophobicContact CD1-CZ 3.86Å |
| 282 | K | 87.2 | Confident | 79.8 | Confident | 188 Ų | 188 | 65.9 Ų | 65.9 | 82% | 0.817 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.8 | -33.2 | -174.4 | -171.6 | -178.8 | 176.9 | -172.4 | 0 | 113.1 | E278 E279 | E278-K282 WeakPolarHBondContact O-CB 3.49Å; E278-K282 PolarHBondContact O-N 2.92Å; E279-K282 PolarHBondContact O-N 3.45Å |
| 283 | G | 83.3 | Confident | 78.8 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -84.8 | -40.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E279 I281 | E279-G283 PolarHBondContact O-N 2.72Å; I281-G283 VanDerWaalsContact C-N 3.3Å; I281-G283 PolarHBondContact O-N 2.75Å |
| 284 | L | 84.2 | Confident | 78 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -102.1 | -19.5 | -170.2 | -62.9 | 174.7 | 0 | 0 | 0 | 114.4 | L242 F243 Y246 A280 G286 Q287 V298 | L242-L284 HydrophobicContact CD1-CD2 4.24Å; L242-L284 HydrophobicContact CG-CD1 4.49Å; L242-L284 HydrophobicContact CG-CD2 4.35Å; F243-L284 HydrophobicContact CD1-CD1 3.49Å; F243-L284 VanDerWaalsContact CD1-CD1 3.49Å; F243-L284 HydrophobicContact CD2-CD1 3.75Å; F243-L284 HydrophobicContact CE1-CD1 3.43Å; F243-L284 VanDerWaalsContact CE1-CD1 3.43Å; F243-L284 HydrophobicContact CE2-CD1 3.68Å; F243-L284 HydrophobicContact CG-CD1 3.67Å; F243-L284 HydrophobicContact CZ-CB 4.42Å; F243-L284 HydrophobicContact CZ-CD1 3.53Å; Y246-L284 HydrophobicContact CD2-CD1 3.85Å; Y246-L284 HydrophobicContact CD2-CG 4.17Å; Y246-L284 HydrophobicContact CE2-CD1 3.56Å; Y246-L284 HydrophobicContact CE2-CD2 3.67Å; Y246-L284 HydrophobicContact CE2-CG 3.44Å; Y246-L284 VanDerWaalsContact CE2-CG 3.44Å; A280-L284 WeakPolarHBondContact O-CB 3.44Å; A280-L284 PolarHBondContact O-N 3.49Å; L284-G286 PolarHBondContact O-N 3.48Å; L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 3.35Å; L284-Q287 VanDerWaalsContact O-N 3.1Å; L284-V298 HydrophobicContact CB-CG2 3.84Å |
| 285 | N | 85.1 | Confident | 77.8 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 113.8 | -179.5 | -179.7 | 72.9 | 0 | 0 | 0 | 111.6 | I281 T297 V298 | I281-N285 HydrophobicContact CG2-CB 4.35Å; I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 3.27Å; N285-T297 WeakPolarHBondContact OD1-CA 3.26Å; N285-V298 HydrophobicContact CB-CB 4.07Å; N285-V298 HydrophobicContact CB-CG2 4.48Å; N285-V298 PolarHBondContact OD1-N 2.83Å; N285-V298 PolarHBondContact OD1-O 3.4Å |
| 286 | G | 79.1 | Confident | 77.8 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -9.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L284 I296 | L284-G286 PolarHBondContact O-N 3.48Å; G286-I296 WeakPolarHBondContact CA-O 3.39Å; G286-I296 PolarHBondContact N-O 3.33Å |
| 287 | Q | 77.4 | Confident | 77.7 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | trans | -74 | 133.2 | -179.5 | -162.9 | 180 | 26.8 | 0 | 0 | 111 | L284 P289 I296 | L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 3.35Å; L284-Q287 VanDerWaalsContact O-N 3.1Å; Q287-P289 WeakPolarHBondContact O-CD 3.28Å; Q287-I296 PolarHBondContact O-N 3.4Å | ||
| 288 | K | 72.8 | Confident | 77.7 | Confident | 135 Ų | 135 | 63.6 Ų | 63.6 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | trans | -88.1 | 109.6 | 168.3 | -70.2 | -169.9 | 174.9 | -155.3 | 0 | 109.2 | A293 P295 | K288-A293 PolarHBondContact NZ-O 3.42Å; K288-P295 HydrophobicContact CG-CB 3.94Å | ||
| 289 | P | 63.6 | Low | 77.7 | Confident | 23 Ų | 23 | 66 Ų | 66 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | trans | -71.6 | 154 | 171.8 | 35 | -40.2 | 0 | 0 | 0 | 110 | Q287 G291 A292 I296 | Q287-P289 WeakPolarHBondContact O-CD 3.28Å; P289-G291 PolarHBondContact O-N 2.9Å; P289-A292 HydrophobicContact CG-CB 3.59Å; P289-A292 PolarHBondContact O-N 3.22Å; P289-A292 VanDerWaalsContact O-N 3.12Å; P289-I296 HydrophobicContact CB-CD1 4.13Å; P289-I296 HydrophobicContact CG-CD1 3.63Å; P289-I296 HydrophobicContact CG-CG1 3.91Å | ||
| 290 | S | 55.2 | Low | 77.7 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 93% | 0.93 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 109 | 175.4 | -50.9 | 0 | 0 | 0 | 0 | 111 | ||
| 291 | G | 57.8 | Low | 77.4 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 72% | 0.722 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | 1.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | P289 | P289-G291 PolarHBondContact O-N 2.9Š|
| 292 | A | 61.3 | Low | 76.5 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -94.3 | 137.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P231 P289 E294 | P231-A292 HydrophobicContact CB-CB 4.15Å; P231-A292 HydrophobicContact CG-CB 4.06Å; P289-A292 HydrophobicContact CG-CB 3.59Å; P289-A292 PolarHBondContact O-N 3.22Å; P289-A292 VanDerWaalsContact O-N 3.12Å; A292-E294 VanDerWaalsContact CB-O 3.3Å; A292-E294 WeakPolarHBondContact CB-O 3.28Å | ||
| 293 | A | 60.7 | Low | 75.3 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 69% | 0.694 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -71.6 | -41.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K288 | K288-A293 PolarHBondContact NZ-O 3.42Š|
| 294 | E | 67.3 | Low | 73.8 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -92.3 | 150.4 | 179.5 | -65 | -55.4 | 143.1 | 0 | 0 | 112.1 | A292 | A292-E294 VanDerWaalsContact CB-O 3.3Å; A292-E294 WeakPolarHBondContact CB-O 3.28Å |
| 295 | P | 81 | Confident | 72.2 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 26% | 0.26 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 141.9 | 168.1 | 30.8 | -32.7 | 0 | 0 | 0 | 111 | K288 T297 | K288-P295 HydrophobicContact CG-CB 3.94Å; P295-T297 PolarHBondContact O-N 2.79Å |
| 296 | I | 86.2 | Confident | 70.6 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 125.8 | 169.6 | -70.2 | 173.6 | 0 | 0 | 0 | 108.5 | V227 S228 L230 L242 G286 Q287 P289 V298 | V227-I296 HydrophobicContact CG1-CG2 3.58Å; S228-I296 CarbonylContact O-C 3.53Å; S228-I296 WeakPolarHBondContact O-CA 3.38Å; L230-I296 HydrophobicContact CD2-CD1 3.71Å; L230-I296 HydrophobicContact CD2-CG1 4Å; L242-I296 HydrophobicContact CD2-CD1 4.01Å; G286-I296 WeakPolarHBondContact CA-O 3.39Å; G286-I296 PolarHBondContact N-O 3.33Å; Q287-I296 PolarHBondContact O-N 3.4Å; P289-I296 HydrophobicContact CB-CD1 4.13Å; P289-I296 HydrophobicContact CG-CD1 3.63Å; P289-I296 HydrophobicContact CG-CG1 3.91Å; I296-V298 HydrophobicContact CG2-CG2 3.56Å |
| 297 | T | 86.6 | Confident | 69 | Low | 40 Ų | 40 | 74 Ų | 74 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.1 | 165.6 | -64 | 0 | 0 | 0 | 0 | 108.7 | V227 S228 N285 P295 K299 | V227-T297 WeakPolarHBondContact CA-O 3.28Å; S228-T297 PolarHBondContact N-O 3.43Å; S228-T297 PolarHBondContact O-N 2.88Å; N285-T297 WeakPolarHBondContact OD1-CA 3.26Å; P295-T297 PolarHBondContact O-N 2.79Å; T297-K299 HydrophobicContact CG2-CD 3.83Å; T297-K299 VanDerWaalsContact CG2-CE 3.47Å; T297-K299 HydrophobicContact CG2-CG 4.02Å |
| 298 | V | 89.4 | Confident | 67.8 | Low | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.4 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | L225 V227 F243 I281 L284 N285 I296 | L225-V298 HydrophobicContact CB-CG1 4.28Å; L225-V298 HydrophobicContact CD1-CG1 3.7Å; L225-V298 HydrophobicContact CG-CG1 4.43Å; V227-V298 HydrophobicContact CG1-CG2 4.48Å; V227-V298 HydrophobicContact CG2-CG1 4.48Å; F243-V298 HydrophobicContact CE1-CG1 3.89Å; F243-V298 HydrophobicContact CE1-CG2 4.02Å; F243-V298 HydrophobicContact CZ-CG1 4.33Å; F243-V298 HydrophobicContact CZ-CG2 3.73Å; I281-V298 HydrophobicContact CG1-CB 4.43Å; I281-V298 HydrophobicContact CG1-CG1 3.82Å; L284-V298 HydrophobicContact CB-CG2 3.84Å; N285-V298 HydrophobicContact CB-CB 4.07Å; N285-V298 HydrophobicContact CB-CG2 4.48Å; N285-V298 PolarHBondContact OD1-N 2.83Å; N285-V298 PolarHBondContact OD1-O 3.4Å; I296-V298 HydrophobicContact CG2-CG2 3.56Å |
| 299 | K | 88.2 | Confident | 66.5 | Low | 127 Ų | 127 | 72 Ų | 72 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.2 | -178.4 | -69.3 | 176 | 178.2 | 167.8 | 0 | 110 | L225 Y226 T297 A301 | L225-K299 CarbonylContact C-O 3.57Å; L225-K299 WeakPolarHBondContact CA-O 3.45Å; Y226-K299 PolarHBondContact N-O 2.61Å; Y226-K299 PolarHBondContact O-N 3.31Å; T297-K299 HydrophobicContact CG2-CD 3.83Å; T297-K299 VanDerWaalsContact CG2-CE 3.47Å; T297-K299 HydrophobicContact CG2-CG 4.02Å; K299-A301 PolarHBondContact O-N 3.29Å |
| 300 | F | 88.2 | Confident | 65.5 | Low | 82 Ų | 82 | 77.1 Ų | 77.1 | 36% | 0.36 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.5 | 169.2 | -75.7 | -71.5 | 0 | 0 | 0 | 111.3 | D222 L225 R274 A277 E278 I281 N302 | D222-F300 VanDerWaalsContact O-CD1 3.28Å; D222-F300 WeakPolarHBondContact O-CD1 3.46Å; D222-F300 VanDerWaalsContact O-CE1 3.28Å; D222-F300 WeakPolarHBondContact O-CE1 3.44Å; L225-F300 HydrophobicContact CD2-CD1 3.98Å; L225-F300 HydrophobicContact CD2-CE1 4.22Å; R274-F300 HydrophobicContact CG-CE1 4.15Å; R274-F300 HydrophobicContact CG-CZ 4.22Å; A277-F300 HydrophobicContact CB-CE1 4.38Å; E278-F300 HydrophobicContact CG-CE2 4.11Å; E278-F300 HydrophobicContact CG-CZ 3.55Å; I281-F300 HydrophobicContact CD1-CD1 4.32Å; I281-F300 HydrophobicContact CD1-CD2 3.71Å; I281-F300 HydrophobicContact CD1-CE1 4.21Å; I281-F300 HydrophobicContact CD1-CE2 3.59Å; I281-F300 HydrophobicContact CD1-CG 4.1Å; I281-F300 HydrophobicContact CD1-CZ 3.86Å; F300-N302 PolarHBondContact O-N 3.37Å |
| 301 | A | 81.3 | Confident | 65.1 | Low | 19 Ų | 19 | 74.3 Ų | 74.3 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | trans | -79.9 | 114.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N224 F268 K299 N303 | N224-A301 HydrophobicContact CB-CB 3.94Å; N224-A301 PolarHBondContact O-N 2.92Å; F268-A301 HydrophobicContact CD1-CB 3.84Å; F268-A301 HydrophobicContact CE1-CB 3.95Å; K299-A301 PolarHBondContact O-N 3.29Å; A301-N303 PolarHBondContact O-N 3.09Å | ||
| 302 | N | 71.6 | Confident | 64.9 | Low | 113 Ų | 113 | 75.6 Ų | 75.6 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | trans | -68.7 | 103.5 | 171.1 | -174 | -31.2 | 0 | 0 | 0 | 109.6 | F300 K307 | F300-N302 PolarHBondContact O-N 3.37Å; N302-K307 VanDerWaalsContact OD1-CE 3.26Å; N302-K307 WeakPolarHBondContact OD1-CE 3.27Å; N302-K307 WeakPolarHBondContact OD1-CG 3.23Å | ||
| 303 | N | 60.8 | Low | 64.2 | Low | 60 Ų | 60 | 80.4 Ų | 80.4 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | trans | -70.7 | 120.8 | 177.5 | -176.9 | -13.4 | 0 | 0 | 0 | 109.7 | A301 S305 Q306 | A301-N303 PolarHBondContact O-N 3.09Å; N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 VanDerWaalsContact O-N 3.09Å; N303-S305 WeakPolarHBondContact OD1-CB 3.32Å; N303-S305 PolarHBondContact OD1-N 3.36Å; N303-S305 PolarHBondContact OD1-OG 2.79Å; N303-Q306 HydrophobicContact CB-CG 4.46Å; N303-Q306 PolarHBondContact O-N 3.43Å | ||
| 304 | P | 52.8 | Low | 63.4 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -55.7 | -30.2 | 178.9 | 22.6 | -33.6 | 0 | 0 | 0 | 113.1 | Q306 K307 | P304-Q306 PolarHBondContact O-N 2.8Å; P304-K307 PolarHBondContact O-N 2.89Å |
| 305 | S | 50.3 | Low | 62.5 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 67% | 0.671 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69 | -12.9 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 115 | N303 | N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 VanDerWaalsContact O-N 3.09Å; N303-S305 WeakPolarHBondContact OD1-CB 3.32Å; N303-S305 PolarHBondContact OD1-N 3.36Å; N303-S305 PolarHBondContact OD1-OG 2.79Å |
| 306 | Q | 50.8 | Low | 60.7 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 30% | 0.304 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -96.5 | -14.3 | 175.6 | -80.2 | -164.7 | 8.1 | 0 | 0 | 114.1 | D222 N303 P304 T308 S309 | D222-Q306 PolarHBondContact OD1-NE2 2.88Å; N303-Q306 HydrophobicContact CB-CG 4.46Å; N303-Q306 PolarHBondContact O-N 3.43Å; P304-Q306 PolarHBondContact O-N 2.8Å; Q306-T308 PolarHBondContact O-N 2.79Å; Q306-S309 PolarHBondContact O-N 2.97Å |
| 307 | K | 46.8 | Very low | 58.3 | Low | 127 Ų | 127 | 97.2 Ų | 97.2 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.4 | -25.4 | -168.7 | -73.7 | -171.2 | 175.1 | -174.1 | 0 | 114.3 | N302 P304 S309 | N302-K307 VanDerWaalsContact OD1-CE 3.26Å; N302-K307 WeakPolarHBondContact OD1-CE 3.27Å; N302-K307 WeakPolarHBondContact OD1-CG 3.23Å; P304-K307 PolarHBondContact O-N 2.89Å; K307-S309 PolarHBondContact O-N 2.98Å |
| 308 | T | 50.3 | Low | 56 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 60% | 0.595 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64 | -20 | 175.3 | -41.8 | 0 | 0 | 0 | 0 | 113.8 | Q306 | Q306-T308 PolarHBondContact O-N 2.79Å |
| 309 | S | 45.6 | Very low | 53.3 | Low | 89 Ų | 89 | 108.8 Ų | 108.8 | 62% | 0.622 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -104.6 | -43.4 | -171.7 | -60.8 | 0 | 0 | 0 | 0 | 115 | Q306 K307 | Q306-S309 PolarHBondContact O-N 2.97Å; K307-S309 PolarHBondContact O-N 2.98Å |
| 310 | Q | 42.6 | Very low | 51.1 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.5 | -28.6 | -174.5 | -76.5 | -163.3 | 5.2 | 0 | 0 | 114.2 | L312 L313 | Q310-L312 PolarHBondContact O-N 3.37Å; Q310-L313 PolarHBondContact O-N 3.02Å; Q310-L313 VanDerWaalsContact O-N 3.1Å |
| 311 | A | 48.6 | Very low | 48.5 | Very low | 75 Ų | 75 | 112 Ų | 112 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -16.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 312 | L | 52.8 | Low | 46.3 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 51% | 0.508 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -20.5 | 179.2 | -65.7 | 171.8 | 0 | 0 | 0 | 113.9 | Q310 | Q310-L312 PolarHBondContact O-N 3.37Š|
| 313 | L | 47.3 | Very low | 44.5 | Very low | 120 Ų | 120 | 128 Ų | 128 | 63% | 0.628 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -27.7 | -171 | -158.2 | 68.2 | 0 | 0 | 0 | 113 | Q310 Q315 L316 | Q310-L313 PolarHBondContact O-N 3.02Å; Q310-L313 VanDerWaalsContact O-N 3.1Å; L313-Q315 PolarHBondContact O-N 3.28Å; L313-L316 HydrophobicContact CD1-CD1 4.45Å; L313-L316 PolarHBondContact O-N 2.94Å |
| 314 | S | 44 | Very low | 43.1 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -12.3 | -177.6 | -53.6 | 0 | 0 | 0 | 0 | 115 | ||
| 315 | Q | 47.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -2 | -179.5 | -69.9 | -165.5 | -31.8 | 0 | 0 | 114.5 | L313 | L313-Q315 PolarHBondContact O-N 3.28Š|
| 316 | L | 41.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -94.9 | 1.5 | -175.1 | -72.6 | 170.3 | 0 | 0 | 0 | 115.3 | L313 | L313-L316 HydrophobicContact CD1-CD1 4.45Å; L313-L316 PolarHBondContact O-N 2.94Å |
| 317 | Y | 36.9 | Very low | 41.2 | Very low | 206 Ų | 206 | 139 Ų | 139 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | -120.6 | 26.7 | -174.7 | -82.9 | -78.4 | 0 | 0 | 0 | 114.9 | ||||
| 318 | Q | 38.1 | Very low | 40.8 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -111.4 | 82 | 168.8 | -69.7 | -172.9 | 2.3 | 0 | 0 | 110.5 | P320 | Q318-P320 VanDerWaalsContact O-CD 3.25Å; Q318-P320 WeakPolarHBondContact O-CD 3.38Å | ||
| 319 | S | 33.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -91.1 | 106.6 | 178.2 | -54.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | P | 40.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | trans | -76.8 | 132.2 | 172.8 | 31.8 | -33.6 | 0 | 0 | 0 | 110.2 | Q318 | Q318-P320 VanDerWaalsContact O-CD 3.25Å; Q318-P320 WeakPolarHBondContact O-CD 3.38Å | ||
| 321 | N | 34.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -135.2 | 147.4 | 176.7 | -161.5 | -7.1 | 0 | 0 | 0 | 111.5 | ||||
| 322 | R | 35 | Very low | 38 | Very low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 69.4 | 105.9 | 178.8 | -57.2 | -168.1 | 175 | -157.8 | -1.5 | 117.6 | ||||
| 323 | R | 33.3 | Very low | 37.2 | Very low | 243 Ų | 243 | 155.3 Ų | 155.3 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -89.7 | 155 | 143.5 | -80.8 | 178.1 | 164.2 | 174.1 | -5.6 | 109.5 | ||||
| 324 | Y | 31.5 | Very low | 36.4 | Very low | 221 Ų | 221 | 159.4 Ų | 159.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -141.5 | 146.7 | 150.3 | -112.7 | -95.2 | 0 | 0 | 0 | 108.6 | ||||
| 325 | P | 42 | Very low | 35.9 | Very low | 125 Ų | 125 | 162.9 Ų | 162.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -99.6 | 159.3 | -169.9 | 37.4 | -34.8 | 0 | 0 | 0 | 115 | ||||
| 326 | G | 30.1 | Very low | 35 | Very low | 74 Ų | 74 | 165.4 Ų | 165.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -149 | 159.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 327 | P | 42.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 165.9 Ų | 165.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -105.3 | 175.1 | -150.6 | 39.5 | -36.4 | 0 | 0 | 0 | 118 | ||||
| 328 | L | 38.4 | Very low | 34 | Very low | 147 Ų | 147 | 162.9 Ų | 162.9 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -58.8 | 154.8 | -170 | -74.4 | 58.2 | 0 | 0 | 0 | 117.3 | ||||
| 329 | H | 32.1 | Very low | 33.7 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -138.7 | 159.5 | 138.2 | -151.9 | 75.5 | 0 | 0 | 0 | 111.5 | ||||
| 330 | H | 35.4 | Very low | 33.5 | Very low | 155 Ų | 155 | 162.5 Ų | 162.5 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -87.1 | 178.5 | 179.8 | -77.3 | 59.8 | 0 | 0 | 0 | 110.6 | ||||
| 331 | Q | 28.1 | Very low | 33 | Very low | 189 Ų | 189 | 164.4 Ų | 164.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | cis | -163.1 | 170.2 | 35.4 | -168.9 | 172.7 | 1.8 | 0 | 0 | 111.6 | ||||
| 332 | A | 32.9 | Very low | 33 | Very low | 91 Ų | 91 | 164 Ų | 164 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -130.9 | 159.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 333 | Q | 35.3 | Very low | 33 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -145.9 | 174.2 | 174.9 | -90.5 | -87.2 | -44.3 | 0 | 0 | 111.7 | ||||
| 334 | R | 30 | Very low | 32.8 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -137.1 | 168.1 | -172.2 | -80 | -177.5 | 173.3 | 177.6 | -2.5 | 110.9 | ||||
| 335 | F | 33.6 | Very low | 32.8 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | cis | -134 | -138.8 | 6.1 | -136 | -30.1 | 0 | 0 | 0 | 109.5 | ||||
| 336 | R | 30.7 | Very low | 32.1 | Very low | 225 Ų | 225 | 151.6 Ų | 151.6 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | cis | -155.7 | 170 | 3.3 | -157.1 | -174.3 | 170.7 | 151.7 | -0.1 | 109.5 | ||||
| 337 | L | 29 | Very low | 32.1 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 158 | 157.6 | -121.2 | 64 | 0 | 0 | 0 | 110.8 | ||||
| 338 | D | 28.9 | Very low | 31.8 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | -158.7 | -174.6 | 62 | -131.1 | -62.2 | 0 | 0 | 0 | 115.7 | |||||
| 339 | N | 30.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 162.3 Ų | 162.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -128.8 | 176.1 | -167.6 | -171.3 | 19.1 | 0 | 0 | 0 | 113.2 | ||||
| 340 | L | 28.6 | Very low | 31 | Very low | 143 Ų | 143 | 163.4 Ų | 163.4 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 74.2 | 110.1 | 167 | -52.2 | 174.3 | 0 | 0 | 0 | 117.5 | ||||
| 341 | L | 31.5 | Very low | 30.7 | Very low | 169 Ų | 169 | 161 Ų | 161 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | -158.5 | 110 | 114.4 | -111.3 | 170.2 | 0 | 0 | 0 | 114 | |||||
| 342 | N | 32.6 | Very low | 31 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 63.6 | 130.8 | 149.6 | -151.1 | 32.2 | 0 | 0 | 0 | 122.2 | ||||
| 343 | M | 36.2 | Very low | 30.8 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 137.6 | 157.5 | -68 | 179.8 | 67.1 | 0 | 0 | 110.2 | ||||
| 344 | A | 28.8 | Very low | 30.4 | Very low | 72 Ų | 72 | 157.8 Ų | 157.8 | 60% | 0.595 | 79% | 0.793 | S | S | * | * | trans | -144.6 | 97.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 345 | Y | 31.9 | Very low | 30.7 | Very low | 235 Ų | 235 | 155.1 Ų | 155.1 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | 59.4 | 118.9 | 162.1 | -46.9 | -76.5 | 0 | 0 | 0 | 119.8 | ||||
| 346 | G | 27.8 | Very low | 30.4 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 116.8 | 115.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 347 | V | 28.1 | Very low | 30.4 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 69.5 | 101.9 | 145.5 | -166.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 348 | K | 37 | Very low | 30.5 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 17.6 | 137.4 | 134 | -52.6 | 174.7 | -178.1 | 178.1 | 0 | 119.3 | ||||
| 349 | R | 26.1 | Very low | 30.8 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | -166.1 | 179.8 | 114.1 | -81.9 | -117.1 | -178.4 | -120 | -5 | 110.9 | |||||
| 350 | F | 27.9 | Very low | 30.9 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 166.7 | -168 | -91.5 | -111 | 0 | 0 | 0 | 114.7 | ||||
| 351 | S | 27.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -60.7 | -174.2 | 172.9 | -23.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 352 | P | 35.2 | Very low | 30.7 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | cis | -135.1 | 157.2 | -4.5 | 39 | -22.1 | 0 | 0 | 0 | 116.2 | ||||
| 353 | I | 28.8 | Very low | 30.7 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 149.6 | 162.9 | -71.5 | -171.5 | 0 | 0 | 0 | 111.6 | ||||
| 354 | T | 26.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -53.3 | 138.3 | -166.6 | 53.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 355 | I | 36.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 44 | 148.5 | 126.1 | -138.6 | 170.7 | 0 | 0 | 0 | 122.7 | |||||
| 356 | D | 28 | Very low | 30.6 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 81.1 | 149.1 | 162.2 | -94.8 | -62 | 0 | 0 | 0 | 120.7 | ||||
| 357 | S | 29.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 68.7 | 65.8 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 358 | M | 32.3 | Very low | 31.1 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | -151.9 | 39.5 | 137.5 | -132.9 | 177.1 | -168.5 | 0 | 0 | 117.3 | S360 | M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.34Å | ||
| 359 | T | 34 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -76.2 | 74.9 | 166.9 | 30 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | S | 34.1 | Very low | 31.9 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -168.7 | 100.2 | 157.5 | -85.3 | 0 | 0 | 0 | 0 | 113.2 | M358 | M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.34Å | ||
| 361 | L | 27.7 | Very low | 33.2 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | S | Bend | 178.3 | 165.1 | 126.2 | -95.2 | 165.1 | 0 | 0 | 0 | 110.4 | |||
| 362 | V | 28.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | 51 | 96 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 363 | G | 31.6 | Very low | 36.4 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -95.7 | 145.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 364 | M | 28 | Very low | 39.1 | Very low | 174 Ų | 174 | 115.4 Ų | 115.4 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -136.5 | 107.1 | 160.4 | -85.9 | -70.4 | 111.1 | 0 | 0 | 108.7 | I366 | M364-I366 PolarHBondContact O-N 2.98Š| ||
| 365 | N | 26.9 | Very low | 42 | Very low | 158 Ų | 158 | 111.2 Ų | 111.2 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | trans | -88.6 | 97.7 | -176.4 | -175.7 | 42.1 | 0 | 0 | 0 | 110.7 | P367 | N365-P367 WeakPolarHBondContact O-CD 3.2Š| ||
| 366 | I | 39.4 | Very low | 44.7 | Very low | 133 Ų | 133 | 104 Ų | 104 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | trans | -97.3 | 114.4 | -178.8 | -57.4 | 178.1 | 0 | 0 | 0 | 110.1 | M364 | M364-I366 PolarHBondContact O-N 2.98Š| ||
| 367 | P | 32.3 | Very low | 47.7 | Very low | 113 Ų | 113 | 100.4 Ų | 100.4 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | trans | -81.3 | 139.7 | -177.6 | 31.5 | -34.6 | 0 | 0 | 0 | 113.1 | N365 | N365-P367 WeakPolarHBondContact O-CD 3.2Š| ||
| 368 | G | 34 | Very low | 50.7 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | trans | 103.5 | 76.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115 | N452 | G368-N452 PolarHBondContact O-ND2 3.41Š| ||
| 369 | H | 41 | Very low | 53.6 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | trans | -115 | 100.8 | 174.6 | -132 | 59.7 | 0 | 0 | 0 | 111.5 | W374 | H369-W374 AromaticContact CE1-CD2 3.67Å; H369-W374 AromaticContact CE1-CE3 3.2Å; H369-W374 AromaticContact CE1-CZ3 3.48Å; H369-W374 VanDerWaalsContact CE1-CZ3 3.48Å; H369-W374 WeakPolarHBondContact CE1-CZ3 3.46Å; H369-W374 AromaticContact NE2-CD2 3.33Å; H369-W374 VanDerWaalsContact NE2-CD2 3.33Å; H369-W374 AromaticContact NE2-CE2 3.65Å; H369-W374 AromaticContact NE2-CE3 3.37Å; H369-W374 AromaticContact NE2-CG 3.89Å; H369-W374 AromaticContact NE2-CZ2 3.99Å; H369-W374 AromaticContact NE2-CZ3 3.73Å | ||
| 370 | T | 39.8 | Very low | 56.2 | Low | 96 Ų | 96 | 87 Ų | 87 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | trans | -80.3 | 116.3 | 168.5 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 371 | G | 54.3 | Low | 58.8 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -64.8 | 176.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 372 | T | 60.6 | Low | 61.6 | Low | 125 Ų | 125 | 76 Ų | 76 | 77% | 0.767 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 84.7 | 9.7 | -172.1 | 79.9 | 0 | 0 | 0 | 0 | 117.9 | N401 | T372-N401 PolarHBondContact O-ND2 3.43Š|
| 373 | G | 70.9 | Confident | 64.2 | Low | 13 Ų | 13 | 71.1 Ų | 71.1 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 152.7 | 168.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C375 M422 | G373-C375 PolarHBondContact O-N 3.4Å; G373-M422 CarbonylContact C-O 3.54Å; G373-M422 WeakPolarHBondContact CA-O 3.48Å |
| 374 | W | 84.4 | Confident | 66.7 | Low | 80 Ų | 80 | 72.7 Ų | 72.7 | 30% | 0.303 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 105.8 | -179.3 | -64.9 | 87.7 | 0 | 0 | 0 | 109.8 | H369 I376 T421 M422 Y425 A428 F449 | H369-W374 AromaticContact CE1-CD2 3.67Å; H369-W374 AromaticContact CE1-CE3 3.2Å; H369-W374 AromaticContact CE1-CZ3 3.48Å; H369-W374 VanDerWaalsContact CE1-CZ3 3.48Å; H369-W374 WeakPolarHBondContact CE1-CZ3 3.46Å; H369-W374 AromaticContact NE2-CD2 3.33Å; H369-W374 VanDerWaalsContact NE2-CD2 3.33Å; H369-W374 AromaticContact NE2-CE2 3.65Å; H369-W374 AromaticContact NE2-CE3 3.37Å; H369-W374 AromaticContact NE2-CG 3.89Å; H369-W374 AromaticContact NE2-CZ2 3.99Å; H369-W374 AromaticContact NE2-CZ3 3.73Å; W374-I376 PolarHBondContact O-N 2.58Å; W374-T421 WeakPolarHBondContact O-CA 3.46Å; W374-M422 PolarHBondContact N-O 2.82Å; W374-M422 PolarHBondContact O-N 2.82Å; W374-Y425 AromaticContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CG 4.34Å; W374-Y425 AromaticContact CE2-CD2 3.87Å; W374-Y425 AromaticContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CD2 3.44Å; W374-Y425 VanDerWaalsContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CE2 4.04Å; W374-Y425 HydrophobicContact CE3-CG 4.47Å; W374-Y425 HydrophobicContact CG-CD2 4.45Å; W374-Y425 AromaticContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CE2 4.27Å; W374-Y425 HydrophobicContact CH2-CG 4.24Å; W374-Y425 AromaticContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CG 4.1Å; W374-Y425 AromaticContact CZ3-CD2 3.46Å; W374-Y425 HydrophobicContact CZ3-CD2 3.46Å; W374-Y425 VanDerWaalsContact CZ3-CD2 3.46Å; W374-Y425 AromaticContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CG 4.42Å; W374-A428 HydrophobicContact CB-CB 3.82Å; W374-F449 HydrophobicContact CB-CE1 4.32Å; W374-F449 HydrophobicContact CE3-CE1 4.14Å |
| 375 | C | 88.8 | Confident | 69.4 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.4 | -177.1 | -164 | 0 | 0 | 0 | 0 | 111.1 | G373 V420 K450 | G373-C375 PolarHBondContact O-N 3.4Å; C375-V420 CarbonylContact C-O 3.58Å; C375-V420 WeakPolarHBondContact CA-O 3.19Å; C375-K450 HydrophobicContact CB-CB 4.14Å; C375-K450 HydrophobicContact CB-CD 4.09Å; C375-K450 VanDerWaalsContact O-CB 3.26Å; C375-K450 WeakPolarHBondContact O-CB 3.46Å; C375-K450 PolarHBondContact O-N 2.83Å; C375-K450 VanDerWaalsContact SG-CD 3.5Å |
| 376 | I | 91.8 | Very high | 72.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.4 | 175.8 | -52.7 | 178.2 | 0 | 0 | 0 | 108 | W374 V378 F394 F419 V420 M422 A428 A431 I432 V447 S448 | W374-I376 PolarHBondContact O-N 2.58Å; I376-V378 HydrophobicContact CG2-CG2 4.37Å; I376-F394 HydrophobicContact CD1-CD1 3.99Å; I376-F394 HydrophobicContact CD1-CE1 3.59Å; I376-F394 HydrophobicContact CG2-CE1 4.09Å; I376-F394 HydrophobicContact CG2-CZ 4.26Å; I376-F419 WeakPolarHBondContact O-CA 3.45Å; I376-V420 HydrophobicContact CB-CB 4.41Å; I376-V420 PolarHBondContact N-O 2.79Å; I376-V420 PolarHBondContact O-N 3.47Å; I376-M422 HydrophobicContact CD1-CG 3.6Å; I376-M422 HydrophobicContact CD1-SD 4.47Å; I376-M422 HydrophobicContact CG1-CG 4.4Å; I376-A428 HydrophobicContact CD1-CB 3.92Å; I376-A428 HydrophobicContact CG1-CB 4.3Å; I376-A431 HydrophobicContact CD1-CB 4.38Å; I376-I432 HydrophobicContact CD1-CD1 4.41Å; I376-I432 HydrophobicContact CD1-CG1 4.2Å; I376-I432 HydrophobicContact CG1-CD1 4.18Å; I376-I432 HydrophobicContact CG1-CG1 4.33Å; I376-I432 HydrophobicContact CG2-CD1 4.33Å; I376-I432 HydrophobicContact CG2-CG1 3.88Å; I376-V447 HydrophobicContact CG2-CG1 3.43Å; I376-V447 VanDerWaalsContact CG2-CG1 3.43Å; I376-S448 CarbonylContact C-O 3.55Å; I376-S448 WeakPolarHBondContact CA-O 3.48Å; I376-S448 WeakPolarHBondContact CG2-O 3.25Å |
| 377 | F | 92.7 | Very high | 74.7 | Confident | 60 Ų | 60 | 57 Ų | 57 | 26% | 0.263 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.2 | 168.8 | 178.1 | -121.9 | 0 | 0 | 0 | 109.2 | Y379 F417 F419 V447 S448 K450 | F377-Y379 HydrophobicContact CE1-CD2 4.16Å; F377-Y379 HydrophobicContact CE1-CG 4.25Å; F377-Y379 AromaticContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CG 4.26Å; F377-F417 HydrophobicContact CE2-CB 3.92Å; F377-F417 AromaticContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CG 4.13Å; F377-F417 HydrophobicContact CZ-CB 4.21Å; F377-F419 HydrophobicContact CB-CE1 4.5Å; F377-F419 HydrophobicContact CD2-CD1 4.03Å; F377-F419 AromaticContact CD2-CE1 3.52Å; F377-F419 HydrophobicContact CD2-CE1 3.52Å; F377-F419 AromaticContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CE2-CE1 4.19Å; F377-F419 HydrophobicContact CE2-CZ 4.21Å; F377-F419 HydrophobicContact CG-CE1 4.42Å; F377-V447 WeakPolarHBondContact O-CA 3.49Å; F377-S448 PolarHBondContact N-O 2.83Å; F377-S448 PolarHBondContact O-N 2.68Å; F377-K450 HydrophobicContact CB-CB 4.43Å |
| 378 | V | 92.2 | Very high | 77.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.2 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | I376 L381 L390 F394 F417 G418 V420 Q446 V447 | I376-V378 HydrophobicContact CG2-CG2 4.37Å; V378-L381 HydrophobicContact CG1-CD1 4.35Å; V378-L381 HydrophobicContact CG1-CD2 3.95Å; V378-L381 HydrophobicContact CG1-CG 4.09Å; V378-L390 HydrophobicContact CB-CD2 4.32Å; V378-L390 HydrophobicContact CG1-CD2 3.98Å; V378-L390 HydrophobicContact CG2-CD2 4.19Å; V378-F394 HydrophobicContact CG2-CE2 3.87Å; V378-F394 HydrophobicContact CG2-CZ 3.69Å; V378-F417 CarbonylContact O-C 3.54Å; V378-F417 WeakPolarHBondContact O-CA 3.48Å; V378-F417 WeakPolarHBondContact O-CB 3.41Å; V378-G418 PolarHBondContact N-O 2.69Å; V378-G418 PolarHBondContact O-N 3.03Å; V378-V420 HydrophobicContact CG2-CG2 4.17Å; V378-Q446 WeakPolarHBondContact CA-O 3.48Å; V378-V447 HydrophobicContact CG1-CG2 4.29Å; V378-V447 HydrophobicContact CG2-CG1 4.39Å; V378-V447 HydrophobicContact CG2-CG2 4.49Å |
| 379 | Y | 91.6 | Very high | 80 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 42% | 0.42 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 161.8 | -175.7 | -172 | -96.3 | 0 | 0 | 0 | 111.3 | F377 G416 F417 Q446 | F377-Y379 HydrophobicContact CE1-CD2 4.16Å; F377-Y379 HydrophobicContact CE1-CG 4.25Å; F377-Y379 AromaticContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CG 4.26Å; Y379-G416 CarbonylContact C-O 3.6Å; Y379-F417 HydrophobicContact CD2-CB 3.76Å; Y379-F417 HydrophobicContact CE2-CB 4.44Å; Y379-Q446 PolarHBondContact N-O 3.15Å; Y379-Q446 PolarHBondContact O-N 2.89Å |
| 380 | N | 89.4 | Confident | 82.4 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 61.6 | 33.5 | -171.9 | -160.3 | 28.8 | 0 | 0 | 0 | 115 | G416 R443 V444 | N380-G416 WeakPolarHBondContact CA-O 3.45Å; N380-G416 PolarHBondContact N-O 3.45Å; N380-R443 WeakPolarHBondContact O-CB 3.4Å; N380-R443 WeakPolarHBondContact O-CD 3.26Å; N380-V444 WeakPolarHBondContact CB-O 3.4Å; N380-V444 PolarHBondContact ND2-O 2.97Å |
| 381 | L | 89.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -62.7 | 158.4 | 168.3 | -68.6 | 168.9 | 0 | 0 | 0 | 111.4 | V378 L390 V405 G416 L440 R443 L445 | V378-L381 HydrophobicContact CG1-CD1 4.35Å; V378-L381 HydrophobicContact CG1-CD2 3.95Å; V378-L381 HydrophobicContact CG1-CG 4.09Å; L381-L390 HydrophobicContact CD1-CD1 4.26Å; L381-L390 HydrophobicContact CD2-CD2 4.07Å; L381-V405 HydrophobicContact CD1-CG1 4.31Å; L381-G416 PolarHBondContact N-O 3.48Å; L381-L440 HydrophobicContact CD2-CD2 4.25Å; L381-R443 WeakPolarHBondContact O-CD 3.45Å; L381-R443 PolarHBondContact O-NH1 3.44Å; L381-L445 HydrophobicContact CD2-CD2 3.79Å; L381-L445 HydrophobicContact CG-CD2 4.47Å | ||
| 382 | S | 85.2 | Confident | 86.6 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | trans | -68.8 | 149.7 | 170.1 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | D384 S385 C414 | S382-D384 PolarHBondContact O-N 3.05Å; S382-S385 WeakPolarHBondContact CB-OG 3.42Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 VanDerWaalsContact N-OG 3.14Å; S382-S385 WeakPolarHBondContact O-CB 3.31Å; S382-S385 PolarHBondContact O-N 3.45Å; S382-S385 VanDerWaalsContact O-N 3.07Å; S382-C414 WeakPolarHBondContact O-CB 3.36Å | ||
| 383 | P | 84.1 | Confident | 87.9 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.6 | 167.7 | 23.7 | -36.2 | 0 | 0 | 0 | 113.8 | K413 C414 | P383-K413 HydrophobicContact CB-CB 4.26Å; P383-K413 HydrophobicContact CB-CD 4.35Å; P383-K413 WeakPolarHBondContact O-CA 3.29Å; P383-K413 WeakPolarHBondContact O-CB 3.09Å; P383-C414 PolarHBondContact O-N 3.3Å |
| 384 | D | 83.4 | Confident | 88.9 | Confident | 101 Ų | 101 | 50.2 Ų | 50.2 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 19.3 | 179.9 | -58.7 | -60.9 | 0 | 0 | 0 | 112.8 | S382 K413 | S382-D384 PolarHBondContact O-N 3.05Å; D384-K413 VanDerWaalsContact CG-NZ 3.3Å; D384-K413 IonicContact OD1-NZ 2.68Å; D384-K413 PolarHBondContact OD1-NZ 3.46Å; D384-K413 IonicContact OD2-NZ 3.23Å; D384-K413 PolarHBondContact OD2-NZ 2.76Å |
| 385 | S | 84.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -91.1 | 106.2 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 112 | S382 C414 | S382-S385 WeakPolarHBondContact CB-OG 3.42Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 VanDerWaalsContact N-OG 3.14Å; S382-S385 WeakPolarHBondContact O-CB 3.31Å; S382-S385 PolarHBondContact O-N 3.45Å; S382-S385 VanDerWaalsContact O-N 3.07Å; S385-C414 PolarHBondContact O-SG 2.86Å | ||
| 386 | D | 87.9 | Confident | 89.2 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | trans | -82.5 | 167.5 | 178.2 | -63.3 | -38.9 | 0 | 0 | 0 | 114.1 | S388 V389 R407 | D386-S388 PolarHBondContact O-N 3.11Å; D386-S388 VanDerWaalsContact O-N 3.15Å; D386-V389 WeakPolarHBondContact O-CB 2.87Å; D386-V389 PolarHBondContact O-N 3.01Å; D386-V389 VanDerWaalsContact O-N 3.07Å; D386-R407 IonicContact OD1-CZ 2.69Å; D386-R407 VanDerWaalsContact OD1-CZ 3.23Å; D386-R407 IonicContact OD1-NH1 3.68Å; D386-R407 PolarHBondContact OD1-NH1 2.89Å; D386-R407 IonicContact OD1-NH2 3.84Å; D386-R407 PolarHBondContact OD1-NH2 3.3Å | ||
| 387 | E | 89.8 | Confident | 89.1 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -52.8 | -34.8 | 176.9 | -72.4 | 72.1 | -165.2 | 0 | 0 | 112.8 | V389 L390 W391 V403 V405 R407 | E387-V389 PolarHBondContact O-N 2.95Å; E387-L390 WeakPolarHBondContact O-CB 3.45Å; E387-L390 PolarHBondContact O-N 2.83Å; E387-W391 PolarHBondContact O-N 2.86Å; E387-V403 HydrophobicContact CB-CG1 3.88Å; E387-V403 HydrophobicContact CG-CG1 3.95Å; E387-V405 HydrophobicContact CG-CB 4.44Å; E387-V405 HydrophobicContact CG-CG2 3.99Å; E387-V405 VanDerWaalsContact OE1-CB 3.31Å; E387-V405 WeakPolarHBondContact OE1-CB 3.12Å; E387-V405 PolarHBondContact OE1-N 2.94Å; E387-V405 VanDerWaalsContact OE1-N 3.11Å; E387-R407 IonicContact OE1-NE 2.62Å; E387-R407 IonicContact OE1-NH2 2.69Å; E387-R407 IonicContact OE2-CZ 3.85Å; E387-R407 IonicContact OE2-NE 2.67Å; E387-R407 IonicContact OE2-NH2 3.74Å; E387-R407 PolarHBondContact OE2-NH2 2.89Å |
| 388 | S | 90.1 | Very high | 88.8 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.2 | -35.9 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 113 | D386 L390 W391 Q392 | D386-S388 PolarHBondContact O-N 3.11Å; D386-S388 VanDerWaalsContact O-N 3.15Å; S388-L390 VanDerWaalsContact C-N 3.35Å; S388-W391 PolarHBondContact O-N 2.67Å; S388-Q392 WeakPolarHBondContact O-CB 3.3Å; S388-Q392 PolarHBondContact O-N 3.1Å |
| 389 | V | 88.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | D386 E387 Q392 L393 L440 | D386-V389 WeakPolarHBondContact O-CB 2.87Å; D386-V389 PolarHBondContact O-N 3.01Å; D386-V389 VanDerWaalsContact O-N 3.07Å; E387-V389 PolarHBondContact O-N 2.95Å; V389-Q392 PolarHBondContact O-N 3.35Å; V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.49Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 VanDerWaalsContact O-CG 3.27Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.44Å; V389-L440 HydrophobicContact CG1-CD1 3.87Å; V389-L440 HydrophobicContact CG1-CD2 3.95Å |
| 390 | L | 90.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 175.2 | -67.7 | 177.2 | 0 | 0 | 0 | 112 | V378 L381 E387 S388 Q392 L393 F394 V403 V405 V420 | V378-L390 HydrophobicContact CB-CD2 4.32Å; V378-L390 HydrophobicContact CG1-CD2 3.98Å; V378-L390 HydrophobicContact CG2-CD2 4.19Å; L381-L390 HydrophobicContact CD1-CD1 4.26Å; L381-L390 HydrophobicContact CD2-CD2 4.07Å; E387-L390 WeakPolarHBondContact O-CB 3.45Å; E387-L390 PolarHBondContact O-N 2.83Å; S388-L390 VanDerWaalsContact C-N 3.35Å; L390-Q392 VanDerWaalsContact C-N 3.31Å; L390-Q392 PolarHBondContact O-N 3.42Å; L390-L393 PolarHBondContact O-N 3.28Å; L390-F394 HydrophobicContact CD2-CD2 4.37Å; L390-F394 HydrophobicContact CD2-CE2 3.98Å; L390-F394 WeakPolarHBondContact O-CB 3.27Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 PolarHBondContact O-N 3.07Å; L390-V403 HydrophobicContact CB-CG1 3.64Å; L390-V403 HydrophobicContact CB-CG2 4.49Å; L390-V403 HydrophobicContact CD1-CG1 3.7Å; L390-V403 HydrophobicContact CG-CG1 4.3Å; L390-V405 HydrophobicContact CD1-CG2 3.7Å; L390-V420 HydrophobicContact CB-CG2 4.15Å; L390-V420 HydrophobicContact CD1-CG2 4.11Å; L390-V420 HydrophobicContact CD2-CG2 4.4Å; L390-V420 HydrophobicContact CG-CG2 4.47Å |
| 391 | W | 91.3 | Very high | 88.3 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 171.1 | -75.5 | 104.5 | 0 | 0 | 0 | 111.6 | E387 S388 G395 V400 V403 | E387-W391 PolarHBondContact O-N 2.86Å; S388-W391 PolarHBondContact O-N 2.67Å; W391-G395 PolarHBondContact O-N 3.03Å; W391-V400 HydrophobicContact CD2-CG1 4.32Å; W391-V400 HydrophobicContact CE3-CB 3.79Å; W391-V400 HydrophobicContact CE3-CG1 3.74Å; W391-V400 HydrophobicContact CH2-CB 4.26Å; W391-V400 HydrophobicContact CH2-CG1 3.81Å; W391-V400 WeakPolarHBondContact CH2-O 3.13Å; W391-V400 HydrophobicContact CZ2-CG1 4.37Å; W391-V400 HydrophobicContact CZ3-CB 3.51Å; W391-V400 HydrophobicContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-O 3.25Å; W391-V400 WeakPolarHBondContact CZ3-O 3.48Å; W391-V403 HydrophobicContact CD2-CG2 3.71Å; W391-V403 VanDerWaalsContact CE2-CG2 3.44Å; W391-V403 HydrophobicContact CE3-CG2 4.39Å; W391-V403 HydrophobicContact CG-CG2 3.94Å; W391-V403 HydrophobicContact CZ2-CB 4.25Å; W391-V403 HydrophobicContact CZ2-CG2 3.89Å |
| 392 | Q | 90.1 | Very high | 88.1 | Confident | 152 Ų | 152 | 56.5 Ų | 56.5 | 71% | 0.71 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.7 | -35 | 179.3 | -169.5 | 62.1 | 44.4 | 0 | 0 | 113.3 | S388 V389 L390 P396 | S388-Q392 WeakPolarHBondContact O-CB 3.3Å; S388-Q392 PolarHBondContact O-N 3.1Å; V389-Q392 PolarHBondContact O-N 3.35Å; L390-Q392 VanDerWaalsContact C-N 3.31Å; L390-Q392 PolarHBondContact O-N 3.42Å; Q392-P396 VanDerWaalsContact O-CD 3.32Å; Q392-P396 WeakPolarHBondContact O-CD 3.36Å |
| 393 | L | 89.4 | Confident | 88.4 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -76.3 | -38.9 | 178.3 | -74.6 | 170.8 | 0 | 0 | 0 | 113.1 | V389 L390 F397 L435 Y438 L445 | V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.49Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 VanDerWaalsContact O-CG 3.27Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.44Å; L390-L393 PolarHBondContact O-N 3.28Å; L393-F397 VanDerWaalsContact O-CD2 3.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.24Å; L393-F397 VanDerWaalsContact O-CE2 3.29Å; L393-F397 WeakPolarHBondContact O-CE2 3.45Å; L393-L435 HydrophobicContact CB-CD1 4.3Å; L393-L435 HydrophobicContact CB-CD2 4.37Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; L393-Y438 HydrophobicContact CD2-CD1 4.23Å; L393-Y438 HydrophobicContact CD2-CE1 3.72Å; L393-L445 HydrophobicContact CD1-CD1 3.91Å |
| 394 | F | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -92.3 | -26.2 | -175 | -76.3 | -97.7 | 0 | 0 | 0 | 113.8 | I376 V378 L390 P396 F397 V400 V420 M422 A431 L435 V447 | I376-F394 HydrophobicContact CD1-CD1 3.99Å; I376-F394 HydrophobicContact CD1-CE1 3.59Å; I376-F394 HydrophobicContact CG2-CE1 4.09Å; I376-F394 HydrophobicContact CG2-CZ 4.26Å; V378-F394 HydrophobicContact CG2-CE2 3.87Å; V378-F394 HydrophobicContact CG2-CZ 3.69Å; L390-F394 HydrophobicContact CD2-CD2 4.37Å; L390-F394 HydrophobicContact CD2-CE2 3.98Å; L390-F394 WeakPolarHBondContact O-CB 3.27Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 PolarHBondContact O-N 3.07Å; F394-P396 VanDerWaalsContact C-CD 3.45Å; F394-F397 PolarHBondContact O-N 2.96Å; F394-V400 HydrophobicContact CB-CG2 3.66Å; F394-V420 HydrophobicContact CB-CG1 4.13Å; F394-V420 HydrophobicContact CD1-CB 4.47Å; F394-V420 HydrophobicContact CD1-CG1 3.99Å; F394-V420 HydrophobicContact CD2-CG1 4.37Å; F394-V420 HydrophobicContact CD2-CG2 3.96Å; F394-V420 HydrophobicContact CE2-CG2 3.97Å; F394-V420 HydrophobicContact CG-CB 4.49Å; F394-V420 HydrophobicContact CG-CG1 3.9Å; F394-V420 HydrophobicContact CG-CG2 4.31Å; F394-V420 HydrophobicContact CZ-CG2 4.34Å; F394-M422 HydrophobicContact CB-SD 4.31Å; F394-M422 HydrophobicContact CD1-SD 4.16Å; F394-A431 HydrophobicContact CD1-CB 3.75Å; F394-A431 HydrophobicContact CE1-CB 3.88Å; F394-L435 HydrophobicContact CD1-CD1 3.88Å; F394-L435 HydrophobicContact CD2-CD1 3.79Å; F394-L435 HydrophobicContact CE1-CD1 3.68Å; F394-L435 HydrophobicContact CE2-CD1 3.61Å; F394-L435 HydrophobicContact CG-CD1 3.93Å; F394-L435 HydrophobicContact CZ-CD1 3.55Å; F394-V447 HydrophobicContact CE1-CG1 4.22Å; F394-V447 HydrophobicContact CZ-CG1 3.81Å |
| 395 | G | 88.7 | Confident | 88.9 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -53.7 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | W391 F397 | W391-G395 PolarHBondContact O-N 3.03Å; G395-F397 PolarHBondContact O-N 3.2Å |
| 396 | P | 91.1 | Very high | 89.1 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -65.4 | -17.8 | 174.9 | -24.8 | 35.8 | 0 | 0 | 0 | 115.1 | Q392 F394 | Q392-P396 VanDerWaalsContact O-CD 3.32Å; Q392-P396 WeakPolarHBondContact O-CD 3.36Å; F394-P396 VanDerWaalsContact C-CD 3.45Å |
| 397 | F | 88.4 | Confident | 89.2 | Confident | 60 Ų | 60 | 55 Ų | 55 | 26% | 0.263 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -98.6 | -15.5 | -175.5 | -62.9 | -79.9 | 0 | 0 | 0 | 113.9 | L393 F394 G395 M422 E427 A431 S434 L435 | L393-F397 VanDerWaalsContact O-CD2 3.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.24Å; L393-F397 VanDerWaalsContact O-CE2 3.29Å; L393-F397 WeakPolarHBondContact O-CE2 3.45Å; F394-F397 PolarHBondContact O-N 2.96Å; G395-F397 PolarHBondContact O-N 3.2Å; F397-M422 HydrophobicContact CB-CE 4.45Å; F397-E427 VanDerWaalsContact O-CB 3.28Å; F397-E427 WeakPolarHBondContact O-CB 3.48Å; F397-E427 WeakPolarHBondContact O-CG 3.35Å; F397-A431 HydrophobicContact CB-CB 3.7Å; F397-A431 HydrophobicContact CD1-CB 4.45Å; F397-A431 HydrophobicContact CD2-CB 4.15Å; F397-A431 HydrophobicContact CG-CB 3.85Å; F397-S434 VanDerWaalsContact CE1-OG 3.31Å; F397-S434 WeakPolarHBondContact CE1-OG 3.39Å; F397-S434 VanDerWaalsContact CZ-CB 3.41Å; F397-L435 HydrophobicContact CD2-CD1 4.11Å; F397-L435 HydrophobicContact CE2-CD1 3.88Å; F397-L435 HydrophobicContact CE2-CD2 3.99Å; F397-L435 HydrophobicContact CE2-CG 3.86Å; F397-L435 HydrophobicContact CZ-CD2 4.47Å; F397-L435 HydrophobicContact CZ-CG 4.35Å |
| 398 | G | 86.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 161.9 | -178 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V400 E427 | G398-V400 PolarHBondContact O-N 3.26Å; G398-E427 WeakPolarHBondContact CA-OE2 3.45Å |
| 399 | A | 86.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | trans | -79.5 | 105.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N401 T423 E427 | A399-N401 PolarHBondContact O-N 3.06Å; A399-T423 HydrophobicContact CB-CG2 4.17Å; A399-T423 PolarHBondContact O-N 3.14Å; A399-T423 PolarHBondContact O-OG1 3.07Å; A399-E427 PolarHBondContact N-OE2 3.23Å | ||
| 400 | V | 89.5 | Confident | 88 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.7 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | W391 F394 G398 V403 V420 M422 | W391-V400 HydrophobicContact CD2-CG1 4.32Å; W391-V400 HydrophobicContact CE3-CB 3.79Å; W391-V400 HydrophobicContact CE3-CG1 3.74Å; W391-V400 HydrophobicContact CH2-CB 4.26Å; W391-V400 HydrophobicContact CH2-CG1 3.81Å; W391-V400 WeakPolarHBondContact CH2-O 3.13Å; W391-V400 HydrophobicContact CZ2-CG1 4.37Å; W391-V400 HydrophobicContact CZ3-CB 3.51Å; W391-V400 HydrophobicContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-O 3.25Å; W391-V400 WeakPolarHBondContact CZ3-O 3.48Å; F394-V400 HydrophobicContact CB-CG2 3.66Å; G398-V400 PolarHBondContact O-N 3.26Å; V400-V403 HydrophobicContact CG1-CG2 3.6Å; V400-V420 HydrophobicContact CG1-CG1 3.83Å; V400-V420 HydrophobicContact CG2-CG1 4.32Å; V400-M422 HydrophobicContact CG2-CE 4.49Å; V400-M422 HydrophobicContact CG2-SD 3.69Å |
| 401 | N | 86.9 | Confident | 87.5 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -33.2 | 177.5 | -173.5 | 21.2 | 0 | 0 | 0 | 112 | T372 A399 T421 T423 | T372-N401 PolarHBondContact O-ND2 3.43Å; A399-N401 PolarHBondContact O-N 3.06Å; N401-T421 HydrophobicContact CB-CG2 4.42Å; N401-T421 WeakPolarHBondContact CB-O 3.44Å; N401-T421 PolarHBondContact N-O 3.13Å; N401-T423 HydrophobicContact CB-CG2 4.29Å |
| 402 | N | 85.5 | Confident | 86.8 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 151.1 | 178.3 | -156.5 | -106.8 | 0 | 0 | 0 | 113 | V420 T421 | N402-V420 CarbonylContact O-C 3.52Å; N402-V420 WeakPolarHBondContact O-CA 3.37Å; N402-T421 PolarHBondContact N-O 2.96Å; N402-T421 PolarHBondContact O-N 2.93Å |
| 403 | V | 90.2 | Very high | 86.4 | Confident | 14 Ų | 14 | 65 Ų | 65 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.6 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | E387 L390 W391 V400 F419 V420 | E387-V403 HydrophobicContact CB-CG1 3.88Å; E387-V403 HydrophobicContact CG-CG1 3.95Å; L390-V403 HydrophobicContact CB-CG1 3.64Å; L390-V403 HydrophobicContact CB-CG2 4.49Å; L390-V403 HydrophobicContact CD1-CG1 3.7Å; L390-V403 HydrophobicContact CG-CG1 4.3Å; W391-V403 HydrophobicContact CD2-CG2 3.71Å; W391-V403 VanDerWaalsContact CE2-CG2 3.44Å; W391-V403 HydrophobicContact CE3-CG2 4.39Å; W391-V403 HydrophobicContact CG-CG2 3.94Å; W391-V403 HydrophobicContact CZ2-CB 4.25Å; W391-V403 HydrophobicContact CZ2-CG2 3.89Å; V400-V403 HydrophobicContact CG1-CG2 3.6Å; V403-F419 WeakPolarHBondContact CA-O 3.49Å; V403-V420 HydrophobicContact CG2-CG1 4.37Å; V403-V420 HydrophobicContact CG2-CG2 4.39Å |
| 404 | K | 89.3 | Confident | 86.1 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 107 | 175.9 | -175.7 | 178.3 | -174.6 | 178.1 | 0 | 110.2 | I173 I406 G418 F419 | I173-K404 PolarHBondContact O-NZ 2.86Å; K404-I406 HydrophobicContact CD-CD1 4.23Å; K404-I406 HydrophobicContact CG-CD1 4.13Å; K404-G418 CarbonylContact O-C 3.45Å; K404-G418 VanDerWaalsContact O-CA 3.24Å; K404-G418 WeakPolarHBondContact O-CA 3.43Å; K404-F419 PolarHBondContact N-O 2.94Å; K404-F419 PolarHBondContact O-N 3.33Å |
| 405 | V | 90.4 | Very high | 85.8 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 141.9 | 168.6 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | L381 E387 L390 C414 | L381-V405 HydrophobicContact CD1-CG1 4.31Å; E387-V405 HydrophobicContact CG-CB 4.44Å; E387-V405 HydrophobicContact CG-CG2 3.99Å; E387-V405 VanDerWaalsContact OE1-CB 3.31Å; E387-V405 WeakPolarHBondContact OE1-CB 3.12Å; E387-V405 PolarHBondContact OE1-N 2.94Å; E387-V405 VanDerWaalsContact OE1-N 3.11Å; L390-V405 HydrophobicContact CD1-CG2 3.7Å; V405-C414 HydrophobicContact CG1-CB 3.75Å; V405-C414 VanDerWaalsContact CG1-SG 3.55Å |
| 406 | I | 88.2 | Confident | 85.6 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.8 | 175.6 | -57.4 | -54.9 | 0 | 0 | 0 | 108.4 | K404 K415 F417 F419 | K404-I406 HydrophobicContact CD-CD1 4.23Å; K404-I406 HydrophobicContact CG-CD1 4.13Å; I406-K415 HydrophobicContact CG2-CB 4.47Å; I406-K415 HydrophobicContact CG2-CD 4.16Å; I406-K415 WeakPolarHBondContact O-CB 3.31Å; I406-K415 PolarHBondContact O-N 3Å; I406-F417 HydrophobicContact CB-CD2 4.01Å; I406-F417 HydrophobicContact CB-CE1 4.49Å; I406-F417 HydrophobicContact CB-CE2 3.69Å; I406-F417 HydrophobicContact CB-CZ 3.94Å; I406-F417 HydrophobicContact CG1-CD2 3.85Å; I406-F417 HydrophobicContact CG1-CE2 3.5Å; I406-F417 HydrophobicContact CG1-CZ 4.2Å; I406-F417 HydrophobicContact CG2-CE1 4.37Å; I406-F417 HydrophobicContact CG2-CE2 3.97Å; I406-F417 HydrophobicContact CG2-CZ 3.76Å; I406-F417 PolarHBondContact N-O 2.86Å; I406-F419 HydrophobicContact CD1-CD2 4.39Å; I406-F419 HydrophobicContact CD1-CE2 4.24Å; I406-F419 HydrophobicContact CG1-CD2 4.23Å; I406-F419 HydrophobicContact CG1-CE2 3.88Å |
| 407 | R | 89.3 | Confident | 85.6 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 160.5 | -178.3 | -63.2 | 169.2 | -172.4 | -95.2 | 5.8 | 110.7 | D386 E387 N412 K413 C414 | D386-R407 IonicContact OD1-CZ 2.69Å; D386-R407 VanDerWaalsContact OD1-CZ 3.23Å; D386-R407 IonicContact OD1-NH1 3.68Å; D386-R407 PolarHBondContact OD1-NH1 2.89Å; D386-R407 IonicContact OD1-NH2 3.84Å; D386-R407 PolarHBondContact OD1-NH2 3.3Å; E387-R407 IonicContact OE1-NE 2.62Å; E387-R407 IonicContact OE1-NH2 2.69Å; E387-R407 IonicContact OE2-CZ 3.85Å; E387-R407 IonicContact OE2-NE 2.67Å; E387-R407 IonicContact OE2-NH2 3.74Å; E387-R407 PolarHBondContact OE2-NH2 2.89Å; R407-N412 WeakPolarHBondContact CD-O 3.32Å; R407-N412 PolarHBondContact NH1-O 3.42Å; R407-K413 CarbonylContact C-O 3.58Å; R407-K413 VanDerWaalsContact CA-O 3.3Å; R407-K413 WeakPolarHBondContact CA-O 3.28Å; R407-C414 PolarHBondContact NH1-SG 3.2Å |
| 408 | D | 84.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 21% | 0.214 | 32% | 0.324 | C | S | . | . | trans | -80.5 | 139.8 | 165.8 | -163.5 | -92.4 | 0 | 0 | 0 | 110.8 | N410 N412 K413 K415 | D408-N410 VanDerWaalsContact C-N 3.3Å; D408-N410 PolarHBondContact O-N 2.82Å; D408-N410 WeakPolarHBondContact OD1-CB 3.32Å; D408-N410 PolarHBondContact OD1-N 2.74Å; D408-N410 PolarHBondContact OD1-ND2 2.95Å; D408-N412 VanDerWaalsContact O-CA 3.23Å; D408-N412 WeakPolarHBondContact O-CA 3.43Å; D408-N412 PolarHBondContact O-N 2.82Å; D408-K413 PolarHBondContact N-O 2.78Å; D408-K415 HydrophobicContact CB-CG 4.33Å; D408-K415 WeakPolarHBondContact OD2-CE 3.42Å; D408-K415 IonicContact OD2-NZ 3.79Å; D408-K415 PolarHBondContact OD2-NZ 2.75Å | ||
| 409 | F | 79.9 | Confident | 86 | Confident | 185 Ų | 185 | 64.2 Ų | 64.2 | 81% | 0.811 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.2 | -177.9 | -175.7 | -101.8 | 0 | 0 | 0 | 112.6 | ||
| 410 | N | 79.3 | Confident | 86.3 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -29.5 | -173.2 | -49.7 | -80 | 0 | 0 | 0 | 112.5 | D408 | D408-N410 VanDerWaalsContact C-N 3.3Å; D408-N410 PolarHBondContact O-N 2.82Å; D408-N410 WeakPolarHBondContact OD1-CB 3.32Å; D408-N410 PolarHBondContact OD1-N 2.74Å; D408-N410 PolarHBondContact OD1-ND2 2.95Å |
| 411 | T | 81.2 | Confident | 86.3 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -9.8 | -175.1 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | K413 | T411-K413 PolarHBondContact O-N 3.01Š|
| 412 | N | 76.6 | Confident | 86.4 | Confident | 112 Ų | 112 | 58 Ų | 58 | 60% | 0.599 | 29% | 0.285 | S | S | * | . | trans | 55.4 | -0.6 | -171.8 | -73.4 | -85.6 | 0 | 0 | 0 | 116.3 | R407 D408 | R407-N412 WeakPolarHBondContact CD-O 3.32Å; R407-N412 PolarHBondContact NH1-O 3.42Å; D408-N412 VanDerWaalsContact O-CA 3.23Å; D408-N412 WeakPolarHBondContact O-CA 3.43Å; D408-N412 PolarHBondContact O-N 2.82Å | ||
| 413 | K | 81.6 | Confident | 86.5 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | trans | -72.8 | 151.1 | 173.1 | -75.9 | 179 | 175.3 | -76.3 | 0 | 111.4 | P383 D384 R407 D408 T411 | P383-K413 HydrophobicContact CB-CB 4.26Å; P383-K413 HydrophobicContact CB-CD 4.35Å; P383-K413 WeakPolarHBondContact O-CA 3.29Å; P383-K413 WeakPolarHBondContact O-CB 3.09Å; D384-K413 VanDerWaalsContact CG-NZ 3.3Å; D384-K413 IonicContact OD1-NZ 2.68Å; D384-K413 PolarHBondContact OD1-NZ 3.46Å; D384-K413 IonicContact OD2-NZ 3.23Å; D384-K413 PolarHBondContact OD2-NZ 2.76Å; R407-K413 CarbonylContact C-O 3.58Å; R407-K413 VanDerWaalsContact CA-O 3.3Å; R407-K413 WeakPolarHBondContact CA-O 3.28Å; D408-K413 PolarHBondContact N-O 2.78Å; T411-K413 PolarHBondContact O-N 3.01Å | ||
| 414 | C | 84.1 | Confident | 86.4 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.2 | -175.1 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | S382 P383 S385 V405 R407 G416 | S382-C414 WeakPolarHBondContact O-CB 3.36Å; P383-C414 PolarHBondContact O-N 3.3Å; S385-C414 PolarHBondContact O-SG 2.86Å; V405-C414 HydrophobicContact CG1-CB 3.75Å; V405-C414 VanDerWaalsContact CG1-SG 3.55Å; R407-C414 PolarHBondContact NH1-SG 3.2Å; C414-G416 PolarHBondContact O-N 3.42Å |
| 415 | K | 84.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 60.2 Ų | 60.2 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 18.4 | 178.7 | -76.3 | -177.8 | 156.1 | 159 | 0 | 113.7 | I406 D408 F417 | I406-K415 HydrophobicContact CG2-CB 4.47Å; I406-K415 HydrophobicContact CG2-CD 4.16Å; I406-K415 WeakPolarHBondContact O-CB 3.31Å; I406-K415 PolarHBondContact O-N 3Å; D408-K415 HydrophobicContact CB-CG 4.33Å; D408-K415 WeakPolarHBondContact OD2-CE 3.42Å; D408-K415 IonicContact OD2-NZ 3.79Å; D408-K415 PolarHBondContact OD2-NZ 2.75Å; K415-F417 VanDerWaalsContact C-N 3.28Å; K415-F417 HydrophobicContact CB-CD1 4.06Å; K415-F417 HydrophobicContact CB-CE1 3.82Å; K415-F417 WeakPolarHBondContact O-CD1 3.43Å; K415-F417 PolarHBondContact O-N 2.95Å |
| 416 | G | 85.3 | Confident | 86.3 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | 9.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y379 N380 L381 C414 | Y379-G416 CarbonylContact C-O 3.6Å; N380-G416 WeakPolarHBondContact CA-O 3.45Å; N380-G416 PolarHBondContact N-O 3.45Å; L381-G416 PolarHBondContact N-O 3.48Å; C414-G416 PolarHBondContact O-N 3.42Å |
| 417 | F | 90.3 | Very high | 86.3 | Confident | 56 Ų | 56 | 66 Ų | 66 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.7 | 178.1 | 71 | -89.6 | 0 | 0 | 0 | 114.7 | F377 V378 Y379 I406 K415 F419 | F377-F417 HydrophobicContact CE2-CB 3.92Å; F377-F417 AromaticContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CG 4.13Å; F377-F417 HydrophobicContact CZ-CB 4.21Å; V378-F417 CarbonylContact O-C 3.54Å; V378-F417 WeakPolarHBondContact O-CA 3.48Å; V378-F417 WeakPolarHBondContact O-CB 3.41Å; Y379-F417 HydrophobicContact CD2-CB 3.76Å; Y379-F417 HydrophobicContact CE2-CB 4.44Å; I406-F417 HydrophobicContact CB-CD2 4.01Å; I406-F417 HydrophobicContact CB-CE1 4.49Å; I406-F417 HydrophobicContact CB-CE2 3.69Å; I406-F417 HydrophobicContact CB-CZ 3.94Å; I406-F417 HydrophobicContact CG1-CD2 3.85Å; I406-F417 HydrophobicContact CG1-CE2 3.5Å; I406-F417 HydrophobicContact CG1-CZ 4.2Å; I406-F417 HydrophobicContact CG2-CE1 4.37Å; I406-F417 HydrophobicContact CG2-CE2 3.97Å; I406-F417 HydrophobicContact CG2-CZ 3.76Å; I406-F417 PolarHBondContact N-O 2.86Å; K415-F417 VanDerWaalsContact C-N 3.28Å; K415-F417 HydrophobicContact CB-CD1 4.06Å; K415-F417 HydrophobicContact CB-CE1 3.82Å; K415-F417 WeakPolarHBondContact O-CD1 3.43Å; K415-F417 PolarHBondContact O-N 2.95Å; F417-F419 HydrophobicContact CD2-CE2 4.21Å; F417-F419 HydrophobicContact CD2-CZ 4.42Å; F417-F419 HydrophobicContact CE2-CE2 4.17Å; F417-F419 HydrophobicContact CE2-CZ 4.39Å |
| 418 | G | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 179 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V378 K404 | V378-G418 PolarHBondContact N-O 2.69Å; V378-G418 PolarHBondContact O-N 3.03Å; K404-G418 CarbonylContact O-C 3.45Å; K404-G418 VanDerWaalsContact O-CA 3.24Å; K404-G418 WeakPolarHBondContact O-CA 3.43Å |
| 419 | F | 92.8 | Very high | 86.6 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.7 | 179.2 | -58.1 | -84.8 | 0 | 0 | 0 | 109.9 | I376 F377 V403 K404 I406 F417 K450 | I376-F419 WeakPolarHBondContact O-CA 3.45Å; F377-F419 HydrophobicContact CB-CE1 4.5Å; F377-F419 HydrophobicContact CD2-CD1 4.03Å; F377-F419 AromaticContact CD2-CE1 3.52Å; F377-F419 HydrophobicContact CD2-CE1 3.52Å; F377-F419 AromaticContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CE2-CE1 4.19Å; F377-F419 HydrophobicContact CE2-CZ 4.21Å; F377-F419 HydrophobicContact CG-CE1 4.42Å; V403-F419 WeakPolarHBondContact CA-O 3.49Å; K404-F419 PolarHBondContact N-O 2.94Å; K404-F419 PolarHBondContact O-N 3.33Å; I406-F419 HydrophobicContact CD1-CD2 4.39Å; I406-F419 HydrophobicContact CD1-CE2 4.24Å; I406-F419 HydrophobicContact CG1-CD2 4.23Å; I406-F419 HydrophobicContact CG1-CE2 3.88Å; F417-F419 HydrophobicContact CD2-CE2 4.21Å; F417-F419 HydrophobicContact CD2-CZ 4.42Å; F417-F419 HydrophobicContact CE2-CE2 4.17Å; F417-F419 HydrophobicContact CE2-CZ 4.39Å; F419-K450 HydrophobicContact CD1-CD 3.97Å; F419-K450 HydrophobicContact CD1-CG 4.45Å; F419-K450 HydrophobicContact CE1-CD 3.96Å; F419-K450 HydrophobicContact CE1-CG 4.21Å |
| 420 | V | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.9 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | C375 I376 V378 L390 F394 V400 N402 V403 M422 | C375-V420 CarbonylContact C-O 3.58Å; C375-V420 WeakPolarHBondContact CA-O 3.19Å; I376-V420 HydrophobicContact CB-CB 4.41Å; I376-V420 PolarHBondContact N-O 2.79Å; I376-V420 PolarHBondContact O-N 3.47Å; V378-V420 HydrophobicContact CG2-CG2 4.17Å; L390-V420 HydrophobicContact CB-CG2 4.15Å; L390-V420 HydrophobicContact CD1-CG2 4.11Å; L390-V420 HydrophobicContact CD2-CG2 4.4Å; L390-V420 HydrophobicContact CG-CG2 4.47Å; F394-V420 HydrophobicContact CB-CG1 4.13Å; F394-V420 HydrophobicContact CD1-CB 4.47Å; F394-V420 HydrophobicContact CD1-CG1 3.99Å; F394-V420 HydrophobicContact CD2-CG1 4.37Å; F394-V420 HydrophobicContact CD2-CG2 3.96Å; F394-V420 HydrophobicContact CE2-CG2 3.97Å; F394-V420 HydrophobicContact CG-CB 4.49Å; F394-V420 HydrophobicContact CG-CG1 3.9Å; F394-V420 HydrophobicContact CG-CG2 4.31Å; F394-V420 HydrophobicContact CZ-CG2 4.34Å; V400-V420 HydrophobicContact CG1-CG1 3.83Å; V400-V420 HydrophobicContact CG2-CG1 4.32Å; N402-V420 CarbonylContact O-C 3.52Å; N402-V420 WeakPolarHBondContact O-CA 3.37Å; V403-V420 HydrophobicContact CG2-CG1 4.37Å; V403-V420 HydrophobicContact CG2-CG2 4.39Å; V420-M422 HydrophobicContact CG1-SD 4.22Å |
| 421 | T | 90.8 | Very high | 87.7 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 111.6 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 108.7 | W374 N401 N402 | W374-T421 WeakPolarHBondContact O-CA 3.46Å; N401-T421 HydrophobicContact CB-CG2 4.42Å; N401-T421 WeakPolarHBondContact CB-O 3.44Å; N401-T421 PolarHBondContact N-O 3.13Å; N402-T421 PolarHBondContact N-O 2.96Å; N402-T421 PolarHBondContact O-N 2.93Å |
| 422 | M | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 155 | 174.7 | -55.9 | -66.1 | -75.5 | 0 | 0 | 110.4 | G373 W374 I376 F394 F397 V400 V420 E427 A428 | G373-M422 CarbonylContact C-O 3.54Å; G373-M422 WeakPolarHBondContact CA-O 3.48Å; W374-M422 PolarHBondContact N-O 2.82Å; W374-M422 PolarHBondContact O-N 2.82Å; I376-M422 HydrophobicContact CD1-CG 3.6Å; I376-M422 HydrophobicContact CD1-SD 4.47Å; I376-M422 HydrophobicContact CG1-CG 4.4Å; F394-M422 HydrophobicContact CB-SD 4.31Å; F394-M422 HydrophobicContact CD1-SD 4.16Å; F397-M422 HydrophobicContact CB-CE 4.45Å; V400-M422 HydrophobicContact CG2-CE 4.49Å; V400-M422 HydrophobicContact CG2-SD 3.69Å; V420-M422 HydrophobicContact CG1-SD 4.22Å; M422-E427 HydrophobicContact CE-CB 4.06Å; M422-A428 HydrophobicContact CB-CB 3.92Å; M422-A428 HydrophobicContact CG-CB 3.78Å |
| 423 | T | 87.2 | Confident | 88.9 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 37% | 0.368 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -71.9 | -43.2 | 171.7 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | A399 N401 | A399-T423 HydrophobicContact CB-CG2 4.17Å; A399-T423 PolarHBondContact O-N 3.14Å; A399-T423 PolarHBondContact O-OG1 3.07Å; N401-T423 HydrophobicContact CB-CG2 4.29Å |
| 424 | N | 88.6 | Confident | 89.3 | Confident | 74 Ų | 74 | 46 Ų | 46 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -110.3 | 153.3 | -168.5 | -60.5 | -29.8 | 0 | 0 | 0 | 112.4 | E427 A428 | N424-E427 HydrophobicContact CB-CB 4.16Å; N424-E427 HydrophobicContact CB-CG 3.97Å; N424-E427 VanDerWaalsContact ND2-CD 3.31Å; N424-E427 PolarHBondContact ND2-OE1 3.06Å; N424-E427 PolarHBondContact ND2-OE2 3.48Å; N424-A428 WeakPolarHBondContact O-CB 3.4Å; N424-A428 PolarHBondContact O-N 3.48Å |
| 425 | Y | 87.7 | Confident | 89.6 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 38% | 0.376 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.5 | -50.6 | -176.5 | 176.3 | -116.2 | 0 | 0 | 0 | 112.1 | W374 E427 A428 A429 F449 | W374-Y425 AromaticContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CG 4.34Å; W374-Y425 AromaticContact CE2-CD2 3.87Å; W374-Y425 AromaticContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CD2 3.44Å; W374-Y425 VanDerWaalsContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CE2 4.04Å; W374-Y425 HydrophobicContact CE3-CG 4.47Å; W374-Y425 HydrophobicContact CG-CD2 4.45Å; W374-Y425 AromaticContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CE2 4.27Å; W374-Y425 HydrophobicContact CH2-CG 4.24Å; W374-Y425 AromaticContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CG 4.1Å; W374-Y425 AromaticContact CZ3-CD2 3.46Å; W374-Y425 HydrophobicContact CZ3-CD2 3.46Å; W374-Y425 VanDerWaalsContact CZ3-CD2 3.46Å; W374-Y425 AromaticContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CG 4.42Å; Y425-E427 PolarHBondContact O-N 2.94Å; Y425-A428 CarbonylContact O-C 3.56Å; Y425-A428 WeakPolarHBondContact O-CA 3.26Å; Y425-A428 WeakPolarHBondContact O-CB 3.41Å; Y425-A428 PolarHBondContact O-N 2.88Å; Y425-A429 PolarHBondContact O-N 3.25Å; Y425-F449 HydrophobicContact CD2-CE1 4.29Å; Y425-F449 AromaticContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CE2-CE1 4.15Å; Y425-F449 AromaticContact CE2-CE2 3.83Å; Y425-F449 HydrophobicContact CE2-CE2 3.83Å; Y425-F449 AromaticContact CE2-CZ 3.43Å; Y425-F449 HydrophobicContact CE2-CZ 3.43Å; Y425-F449 VanDerWaalsContact CE2-CZ 3.43Å |
| 426 | D | 88.9 | Confident | 89.9 | Confident | 115 Ų | 115 | 45 Ų | 45 | 62% | 0.615 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -69.4 | -37.9 | -171 | -49 | -90.3 | 0 | 0 | 0 | 110.7 | A428 A429 M430 | D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 2.78Å; D426-A429 PolarHBondContact O-N 3Å; D426-M430 WeakPolarHBondContact O-CB 3.36Å; D426-M430 VanDerWaalsContact O-CG 3.23Å; D426-M430 WeakPolarHBondContact O-CG 3.31Å; D426-M430 PolarHBondContact O-N 3.18Å |
| 427 | E | 89.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 166.9 | -68.1 | 175.4 | -162.1 | 0 | 0 | 111.9 | F397 G398 A399 M422 N424 Y425 A431 | F397-E427 VanDerWaalsContact O-CB 3.28Å; F397-E427 WeakPolarHBondContact O-CB 3.48Å; F397-E427 WeakPolarHBondContact O-CG 3.35Å; G398-E427 WeakPolarHBondContact CA-OE2 3.45Å; A399-E427 PolarHBondContact N-OE2 3.23Å; M422-E427 HydrophobicContact CE-CB 4.06Å; N424-E427 HydrophobicContact CB-CB 4.16Å; N424-E427 HydrophobicContact CB-CG 3.97Å; N424-E427 VanDerWaalsContact ND2-CD 3.31Å; N424-E427 PolarHBondContact ND2-OE1 3.06Å; N424-E427 PolarHBondContact ND2-OE2 3.48Å; Y425-E427 PolarHBondContact O-N 2.94Å; E427-A431 VanDerWaalsContact O-CB 3.31Å; E427-A431 WeakPolarHBondContact O-CB 3.3Å; E427-A431 PolarHBondContact O-N 2.84Å |
| 428 | A | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W374 I376 M422 N424 Y425 D426 A431 I432 F449 | W374-A428 HydrophobicContact CB-CB 3.82Å; I376-A428 HydrophobicContact CD1-CB 3.92Å; I376-A428 HydrophobicContact CG1-CB 4.3Å; M422-A428 HydrophobicContact CB-CB 3.92Å; M422-A428 HydrophobicContact CG-CB 3.78Å; N424-A428 WeakPolarHBondContact O-CB 3.4Å; N424-A428 PolarHBondContact O-N 3.48Å; Y425-A428 CarbonylContact O-C 3.56Å; Y425-A428 WeakPolarHBondContact O-CA 3.26Å; Y425-A428 WeakPolarHBondContact O-CB 3.41Å; Y425-A428 PolarHBondContact O-N 2.88Å; D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 2.78Å; A428-A431 PolarHBondContact O-N 2.74Å; A428-I432 WeakPolarHBondContact O-CB 3.48Å; A428-I432 WeakPolarHBondContact O-CD1 3.44Å; A428-I432 VanDerWaalsContact O-CG1 3.26Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 3.44Å; A428-F449 HydrophobicContact CB-CE1 3.79Å; A428-F449 HydrophobicContact CB-CZ 4.19Å |
| 429 | A | 89.9 | Confident | 90 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y425 D426 I432 A433 F449 | Y425-A429 PolarHBondContact O-N 3.25Å; D426-A429 PolarHBondContact O-N 3Å; A429-I432 PolarHBondContact O-N 2.84Å; A429-A433 WeakPolarHBondContact O-CB 3.17Å; A429-A433 PolarHBondContact O-N 2.93Å; A429-F449 HydrophobicContact CB-CZ 4.21Å |
| 430 | M | 90 | Very high | 89.6 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 174.6 | -71.8 | -67.2 | -71.8 | 0 | 0 | 111.9 | D426 A433 S434 | D426-M430 WeakPolarHBondContact O-CB 3.36Å; D426-M430 VanDerWaalsContact O-CG 3.23Å; D426-M430 WeakPolarHBondContact O-CG 3.31Å; D426-M430 PolarHBondContact O-N 3.18Å; M430-A433 PolarHBondContact O-N 3.28Å; M430-S434 VanDerWaalsContact O-CB 3.3Å; M430-S434 WeakPolarHBondContact O-CB 3.37Å; M430-S434 PolarHBondContact O-N 3.14Å; M430-S434 PolarHBondContact O-OG 3.05Å |
| 431 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I376 F394 F397 E427 A428 S434 L435 | I376-A431 HydrophobicContact CD1-CB 4.38Å; F394-A431 HydrophobicContact CD1-CB 3.75Å; F394-A431 HydrophobicContact CE1-CB 3.88Å; F397-A431 HydrophobicContact CB-CB 3.7Å; F397-A431 HydrophobicContact CD1-CB 4.45Å; F397-A431 HydrophobicContact CD2-CB 4.15Å; F397-A431 HydrophobicContact CG-CB 3.85Å; E427-A431 VanDerWaalsContact O-CB 3.31Å; E427-A431 WeakPolarHBondContact O-CB 3.3Å; E427-A431 PolarHBondContact O-N 2.84Å; A428-A431 PolarHBondContact O-N 2.74Å; A431-S434 PolarHBondContact O-N 3.03Å; A431-L435 HydrophobicContact CB-CD1 4.48Å; A431-L435 VanDerWaalsContact O-CB 3.22Å; A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 WeakPolarHBondContact O-CG 3.43Å; A431-L435 PolarHBondContact O-N 2.95Å |
| 432 | I | 92.5 | Very high | 88.8 | Confident | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59 | -50.5 | 174.9 | -74.2 | 159.7 | 0 | 0 | 0 | 110.8 | I376 A428 A429 S434 L435 N436 V447 F449 | I376-I432 HydrophobicContact CD1-CD1 4.41Å; I376-I432 HydrophobicContact CD1-CG1 4.2Å; I376-I432 HydrophobicContact CG1-CD1 4.18Å; I376-I432 HydrophobicContact CG1-CG1 4.33Å; I376-I432 HydrophobicContact CG2-CD1 4.33Å; I376-I432 HydrophobicContact CG2-CG1 3.88Å; A428-I432 WeakPolarHBondContact O-CB 3.48Å; A428-I432 WeakPolarHBondContact O-CD1 3.44Å; A428-I432 VanDerWaalsContact O-CG1 3.26Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 3.44Å; A429-I432 PolarHBondContact O-N 2.84Å; I432-S434 PolarHBondContact O-N 2.8Å; I432-L435 PolarHBondContact O-N 3.26Å; I432-N436 WeakPolarHBondContact O-CB 3.23Å; I432-N436 PolarHBondContact O-N 2.89Å; I432-V447 HydrophobicContact CB-CG1 4.46Å; I432-V447 HydrophobicContact CG1-CG1 3.96Å; I432-F449 HydrophobicContact CD1-CB 4.41Å; I432-F449 HydrophobicContact CD1-CD1 3.58Å; I432-F449 HydrophobicContact CD1-CD2 3.53Å; I432-F449 HydrophobicContact CD1-CE1 3.56Å; I432-F449 HydrophobicContact CD1-CE2 3.52Å; I432-F449 HydrophobicContact CD1-CG 3.56Å; I432-F449 HydrophobicContact CD1-CZ 3.53Å |
| 433 | A | 90.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A429 M430 | A429-A433 WeakPolarHBondContact O-CB 3.17Å; A429-A433 PolarHBondContact O-N 2.93Å; M430-A433 PolarHBondContact O-N 3.28Å |
| 434 | S | 89.6 | Confident | 88.9 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -92.7 | -27.4 | -177 | -51.9 | 0 | 0 | 0 | 0 | 114 | F397 M430 A431 I432 | F397-S434 VanDerWaalsContact CE1-OG 3.31Å; F397-S434 WeakPolarHBondContact CE1-OG 3.39Å; F397-S434 VanDerWaalsContact CZ-CB 3.41Å; M430-S434 VanDerWaalsContact O-CB 3.3Å; M430-S434 WeakPolarHBondContact O-CB 3.37Å; M430-S434 PolarHBondContact O-N 3.14Å; M430-S434 PolarHBondContact O-OG 3.05Å; A431-S434 PolarHBondContact O-N 3.03Å; I432-S434 PolarHBondContact O-N 2.8Å |
| 435 | L | 91 | Very high | 89.1 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -104.5 | -17.5 | -175.5 | -62.1 | 172.2 | 0 | 0 | 0 | 113.7 | L393 F394 F397 A431 I432 G437 Y438 V447 | L393-L435 HydrophobicContact CB-CD1 4.3Å; L393-L435 HydrophobicContact CB-CD2 4.37Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; F394-L435 HydrophobicContact CD1-CD1 3.88Å; F394-L435 HydrophobicContact CD2-CD1 3.79Å; F394-L435 HydrophobicContact CE1-CD1 3.68Å; F394-L435 HydrophobicContact CE2-CD1 3.61Å; F394-L435 HydrophobicContact CG-CD1 3.93Å; F394-L435 HydrophobicContact CZ-CD1 3.55Å; F397-L435 HydrophobicContact CD2-CD1 4.11Å; F397-L435 HydrophobicContact CE2-CD1 3.88Å; F397-L435 HydrophobicContact CE2-CD2 3.99Å; F397-L435 HydrophobicContact CE2-CG 3.86Å; F397-L435 HydrophobicContact CZ-CD2 4.47Å; F397-L435 HydrophobicContact CZ-CG 4.35Å; A431-L435 HydrophobicContact CB-CD1 4.48Å; A431-L435 VanDerWaalsContact O-CB 3.22Å; A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 WeakPolarHBondContact O-CG 3.43Å; A431-L435 PolarHBondContact O-N 2.95Å; I432-L435 PolarHBondContact O-N 3.26Å; L435-G437 PolarHBondContact O-N 3.47Å; L435-Y438 HydrophobicContact CD2-CD2 4.32Å; L435-Y438 HydrophobicContact CD2-CG 4.33Å; L435-Y438 WeakPolarHBondContact O-CB 3.09Å; L435-Y438 PolarHBondContact O-N 3.27Å; L435-V447 HydrophobicContact CB-CG2 3.96Å; L435-V447 WeakPolarHBondContact O-CG2 3.49Å |
| 436 | N | 91.1 | Very high | 89.2 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 114.8 | 172 | -171 | 38.4 | 0 | 0 | 0 | 109.9 | I432 Q446 V447 | I432-N436 WeakPolarHBondContact O-CB 3.23Å; I432-N436 PolarHBondContact O-N 2.89Å; N436-Q446 WeakPolarHBondContact OD1-CA 3.45Å; N436-V447 HydrophobicContact CB-CB 4Å; N436-V447 WeakPolarHBondContact CB-O 3.22Å; N436-V447 PolarHBondContact OD1-N 3.33Å; N436-V447 PolarHBondContact OD1-O 2.83Å |
| 437 | G | 88.4 | Confident | 89.4 | Confident | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -0.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L435 L445 | L435-G437 PolarHBondContact O-N 3.47Å; G437-L445 PolarHBondContact N-O 2.87Å |
| 438 | Y | 90.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 63 Ų | 63 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | trans | -66.3 | 137.3 | 178.7 | -175.5 | -91.8 | 0 | 0 | 0 | 112 | L393 L435 L440 V444 L445 | L393-Y438 HydrophobicContact CD2-CD1 4.23Å; L393-Y438 HydrophobicContact CD2-CE1 3.72Å; L435-Y438 HydrophobicContact CD2-CD2 4.32Å; L435-Y438 HydrophobicContact CD2-CG 4.33Å; L435-Y438 WeakPolarHBondContact O-CB 3.09Å; L435-Y438 PolarHBondContact O-N 3.27Å; Y438-L440 HydrophobicContact CD1-CB 4.41Å; Y438-L440 HydrophobicContact CE1-CB 4.47Å; Y438-L440 HydrophobicContact CE1-CD1 4.45Å; Y438-V444 CarbonylContact O-C 3.59Å; Y438-V444 WeakPolarHBondContact O-CA 3.32Å; Y438-L445 HydrophobicContact CD1-CD1 4.07Å; Y438-L445 PolarHBondContact O-N 2.92Å | ||
| 439 | R | 89.4 | Confident | 89.6 | Confident | 183 Ų | 183 | 65.7 Ų | 65.7 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 108.9 | 179.2 | -73 | 177.2 | 178.6 | -97.8 | 1.9 | 111 | R443 V444 | R439-R443 CarbonylContact C-O 3.59Å; R439-R443 WeakPolarHBondContact CA-O 3.38Å; R439-V444 HydrophobicContact CG-CG2 4.14Å |
| 440 | L | 84.1 | Confident | 89.3 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.199 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 88.4 | 174.4 | -173.2 | 68.4 | 0 | 0 | 0 | 108.9 | L381 V389 Y438 R443 L445 | L381-L440 HydrophobicContact CD2-CD2 4.25Å; V389-L440 HydrophobicContact CG1-CD1 3.87Å; V389-L440 HydrophobicContact CG1-CD2 3.95Å; Y438-L440 HydrophobicContact CD1-CB 4.41Å; Y438-L440 HydrophobicContact CE1-CB 4.47Å; Y438-L440 HydrophobicContact CE1-CD1 4.45Å; L440-R443 PolarHBondContact N-O 3.37Å; L440-R443 PolarHBondContact O-N 2.9Å; L440-L445 HydrophobicContact CB-CD1 4.11Å; L440-L445 HydrophobicContact CB-CD2 4Å; L440-L445 HydrophobicContact CB-CG 3.97Å; L440-L445 HydrophobicContact CD2-CD1 4.27Å; L440-L445 HydrophobicContact CD2-CD2 4.07Å |
| 441 | G | 82.4 | Confident | 88.6 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -140 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R443 | G441-R443 PolarHBondContact O-N 3.36Å; G441-R443 VanDerWaalsContact O-N 3.14Å |
| 442 | D | 84.8 | Confident | 86.8 | Confident | 169 Ų | 169 | 72.7 Ų | 72.7 | 90% | 0.904 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -0.9 | 178.6 | -56.2 | -69.6 | 0 | 0 | 0 | 114.5 | ||
| 443 | R | 86.4 | Confident | 84.6 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 36% | 0.358 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.6 | -177.5 | -64.2 | -172.8 | -179.6 | -147 | -12.5 | 112.4 | N380 L381 R439 L440 G441 | N380-R443 WeakPolarHBondContact O-CB 3.4Å; N380-R443 WeakPolarHBondContact O-CD 3.26Å; L381-R443 WeakPolarHBondContact O-CD 3.45Å; L381-R443 PolarHBondContact O-NH1 3.44Å; R439-R443 CarbonylContact C-O 3.59Å; R439-R443 WeakPolarHBondContact CA-O 3.38Å; L440-R443 PolarHBondContact N-O 3.37Å; L440-R443 PolarHBondContact O-N 2.9Å; G441-R443 PolarHBondContact O-N 3.36Å; G441-R443 VanDerWaalsContact O-N 3.14Å |
| 444 | V | 91.3 | Very high | 82.2 | Confident | 54 Ų | 54 | 83 Ų | 83 | 33% | 0.327 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.4 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | N380 Y438 R439 | N380-V444 WeakPolarHBondContact CB-O 3.4Å; N380-V444 PolarHBondContact ND2-O 2.97Å; Y438-V444 CarbonylContact O-C 3.59Å; Y438-V444 WeakPolarHBondContact O-CA 3.32Å; R439-V444 HydrophobicContact CG-CG2 4.14Å |
| 445 | L | 92.4 | Very high | 79.6 | Confident | 1 Ų | 1 | 88.7 Ų | 88.7 | 1% | 0.005 | 46% | 0.461 | C | S | . | . | trans | -66.8 | 138.5 | 178 | -59.4 | -173.9 | 0 | 0 | 0 | 110.6 | L381 L393 G437 Y438 L440 V447 | L381-L445 HydrophobicContact CD2-CD2 3.79Å; L381-L445 HydrophobicContact CG-CD2 4.47Å; L393-L445 HydrophobicContact CD1-CD1 3.91Å; G437-L445 PolarHBondContact N-O 2.87Å; Y438-L445 HydrophobicContact CD1-CD1 4.07Å; Y438-L445 PolarHBondContact O-N 2.92Å; L440-L445 HydrophobicContact CB-CD1 4.11Å; L440-L445 HydrophobicContact CB-CD2 4Å; L440-L445 HydrophobicContact CB-CG 3.97Å; L440-L445 HydrophobicContact CD2-CD1 4.27Å; L440-L445 HydrophobicContact CD2-CD2 4.07Å; L445-V447 HydrophobicContact CB-CG2 4.29Å | ||
| 446 | Q | 90.7 | Very high | 76.9 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.7 | 168.4 | -70.7 | 179.2 | -12 | 0 | 0 | 108.3 | V378 Y379 N436 | V378-Q446 WeakPolarHBondContact CA-O 3.48Å; Y379-Q446 PolarHBondContact N-O 3.15Å; Y379-Q446 PolarHBondContact O-N 2.89Å; N436-Q446 WeakPolarHBondContact OD1-CA 3.45Å |
| 447 | V | 93.1 | Very high | 74.1 | Confident | 2 Ų | 2 | 102.9 Ų | 102.9 | 1% | 0.012 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.4 | -172.1 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | I376 F377 V378 F394 I432 L435 N436 L445 | I376-V447 HydrophobicContact CG2-CG1 3.43Å; I376-V447 VanDerWaalsContact CG2-CG1 3.43Å; F377-V447 WeakPolarHBondContact O-CA 3.49Å; V378-V447 HydrophobicContact CG1-CG2 4.29Å; V378-V447 HydrophobicContact CG2-CG1 4.39Å; V378-V447 HydrophobicContact CG2-CG2 4.49Å; F394-V447 HydrophobicContact CE1-CG1 4.22Å; F394-V447 HydrophobicContact CZ-CG1 3.81Å; I432-V447 HydrophobicContact CB-CG1 4.46Å; I432-V447 HydrophobicContact CG1-CG1 3.96Å; L435-V447 HydrophobicContact CB-CG2 3.96Å; L435-V447 WeakPolarHBondContact O-CG2 3.49Å; N436-V447 HydrophobicContact CB-CB 4Å; N436-V447 WeakPolarHBondContact CB-O 3.22Å; N436-V447 PolarHBondContact OD1-N 3.33Å; N436-V447 PolarHBondContact OD1-O 2.83Å; L445-V447 HydrophobicContact CB-CG2 4.29Å |
| 448 | S | 90.6 | Very high | 73.4 | Confident | 53 Ų | 53 | 105.8 Ų | 105.8 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 162.9 | -176.7 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | I376 F377 K450 | I376-S448 CarbonylContact C-O 3.55Å; I376-S448 WeakPolarHBondContact CA-O 3.48Å; I376-S448 WeakPolarHBondContact CG2-O 3.25Å; F377-S448 PolarHBondContact N-O 2.83Å; F377-S448 PolarHBondContact O-N 2.68Å; S448-K450 PolarHBondContact O-N 2.95Å |
| 449 | F | 91.1 | Very high | 72.5 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 25% | 0.25 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.2 | 135.3 | 169.6 | -73.8 | -66.5 | 0 | 0 | 0 | 110.5 | W374 Y425 A428 A429 I432 T451 | W374-F449 HydrophobicContact CB-CE1 4.32Å; W374-F449 HydrophobicContact CE3-CE1 4.14Å; Y425-F449 HydrophobicContact CD2-CE1 4.29Å; Y425-F449 AromaticContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CE2-CE1 4.15Å; Y425-F449 AromaticContact CE2-CE2 3.83Å; Y425-F449 HydrophobicContact CE2-CE2 3.83Å; Y425-F449 AromaticContact CE2-CZ 3.43Å; Y425-F449 HydrophobicContact CE2-CZ 3.43Å; Y425-F449 VanDerWaalsContact CE2-CZ 3.43Å; A428-F449 HydrophobicContact CB-CE1 3.79Å; A428-F449 HydrophobicContact CB-CZ 4.19Å; A429-F449 HydrophobicContact CB-CZ 4.21Å; I432-F449 HydrophobicContact CD1-CB 4.41Å; I432-F449 HydrophobicContact CD1-CD1 3.58Å; I432-F449 HydrophobicContact CD1-CD2 3.53Å; I432-F449 HydrophobicContact CD1-CE1 3.56Å; I432-F449 HydrophobicContact CD1-CE2 3.52Å; I432-F449 HydrophobicContact CD1-CG 3.56Å; I432-F449 HydrophobicContact CD1-CZ 3.53Å; F449-T451 PolarHBondContact O-N 3.47Å |
| 450 | K | 83.5 | Confident | 71.6 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 41% | 0.409 | 55% | 0.546 | S | S | . | . | trans | -65 | 106.2 | 178.4 | 178.6 | -172.6 | 170.5 | -173.7 | 0 | 110.2 | C375 F377 F419 S448 | C375-K450 HydrophobicContact CB-CB 4.14Å; C375-K450 HydrophobicContact CB-CD 4.09Å; C375-K450 VanDerWaalsContact O-CB 3.26Å; C375-K450 WeakPolarHBondContact O-CB 3.46Å; C375-K450 PolarHBondContact O-N 2.83Å; C375-K450 VanDerWaalsContact SG-CD 3.5Å; F377-K450 HydrophobicContact CB-CB 4.43Å; F419-K450 HydrophobicContact CD1-CD 3.97Å; F419-K450 HydrophobicContact CD1-CG 4.45Å; F419-K450 HydrophobicContact CE1-CD 3.96Å; F419-K450 HydrophobicContact CE1-CG 4.21Å; S448-K450 PolarHBondContact O-N 2.95Å | ||
| 451 | T | 76.5 | Confident | 70.8 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | trans | -73.3 | 128.6 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | F449 K453 | F449-T451 PolarHBondContact O-N 3.47Å; T451-K453 PolarHBondContact O-N 2.96Å | ||
| 452 | N | 53 | Low | 70.1 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | trans | -76.4 | 106.9 | 169.2 | -75.3 | -47.3 | 0 | 0 | 0 | 108.4 | G368 T454 | G368-N452 PolarHBondContact O-ND2 3.41Å; N452-T454 PolarHBondContact O-N 3.11Å | ||
| 453 | K | 46.3 | Very low | 69.1 | Low | 188 Ų | 188 | 104 Ų | 104 | 82% | 0.817 | 54% | 0.539 | S | S | * | . | trans | -64.9 | 97.9 | 167.8 | -76.9 | -173.2 | 175.7 | -177.6 | 0 | 108.9 | T451 H455 | T451-K453 PolarHBondContact O-N 2.96Å; K453-H455 PolarHBondContact O-N 3.02Å | ||
| 454 | T | 39.9 | Very low | 67.9 | Low | 132 Ų | 132 | 104.6 Ų | 104.6 | 81% | 0.81 | 55% | 0.552 | S | S | * | * | trans | -58.6 | 116.3 | 158.1 | 39.6 | 0 | 0 | 0 | 0 | 107.4 | N452 K456 | N452-T454 PolarHBondContact O-N 3.11Å; T454-K456 PolarHBondContact O-N 3.37Å; T454-K456 VanDerWaalsContact O-N 3.11Å | ||
| 455 | H | 35.2 | Very low | 66.1 | Low | 177 Ų | 177 | 108.5 Ų | 108.5 | 82% | 0.819 | 57% | 0.569 | S | S | * | * | trans | -62.6 | 115.9 | 165.3 | -91.1 | -108.9 | 0 | 0 | 0 | 107 | K453 S457 | K453-H455 PolarHBondContact O-N 3.02Å; H455-S457 PolarHBondContact O-N 2.99Å | ||
| 456 | K | 34.7 | Very low | 63.9 | Low | 206 Ų | 206 | 117.5 Ų | 117.5 | 90% | 0.896 | 62% | 0.616 | S | S | * | * | trans | -67 | 115.5 | 161.8 | -119.8 | -178 | 176 | -174.8 | 0 | 106.1 | T454 | T454-K456 PolarHBondContact O-N 3.37Å; T454-K456 VanDerWaalsContact O-N 3.11Å | ||
| 457 | S | 32.4 | Very low | 61.5 | Low | 187 Ų | 187 | 118.4 Ų | 118.4 | 100% | 1.308 | 63% | 0.626 | S | S | * | * | trans | -64.1 | 0 | 171.1 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | H455 | H455-S457 PolarHBondContact O-N 2.99Š|
Retrieved 457 of 457 residues in 185.4 ms
(Link to these results)