| 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 | 30.4 | Very low | 29.3 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 100% | 1.177 | 78% | 0.776 | S | S | * | * | 0 | 89.2 | 0 | -57.6 | 167.2 | -168.5 | 0 | 0 | 105.3 | |||||
| 2 | A | 29.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 70.8 | 102.6 | 78.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 3 | I | 29.4 | Very low | 29 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | cis | 64 | 119.3 | 28.8 | -53 | 177.4 | 0 | 0 | 0 | 109.2 | ||||
| 4 | P | 31.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -137.8 | 168.6 | 60.7 | 40.2 | -23.5 | 0 | 0 | 0 | 119.8 | |||||
| 5 | I | 31.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -111 | 140.9 | 163.4 | -59.7 | 165.5 | 0 | 0 | 0 | 107.1 | F7 | I5-F7 HydrophobicContact CG2-CD2 4.28Š| ||
| 6 | T | 30 | Very low | 29.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 125.7 | 157.2 | 49.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 7 | F | 26.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | 58.5 | 142.6 | 59.7 | -79.3 | -108.7 | 0 | 0 | 0 | 114.3 | I5 | I5-F7 HydrophobicContact CG2-CD2 4.28Š| |||
| 8 | Q | 26.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 56% | 0.556 | 74% | 0.744 | S | S | * | * | cis | -174 | 152.7 | -29.5 | -166.3 | 171.1 | 9.4 | 0 | 0 | 107.4 | E1333 | Q8-E1333 PolarHBondContact NE2-OE1 2.82Š| ||
| 9 | S | 29.3 | Very low | 28.7 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | 163.4 | 139.7 | 136.6 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 10 | L | 28.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 58% | 0.581 | 73% | 0.729 | S | S | * | * | trans | -103 | 154.2 | 171 | -66.4 | 87.4 | 0 | 0 | 0 | 112 | ||||
| 11 | H | 30.2 | Very low | 28.6 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 82% | 0.819 | 73% | 0.73 | S | S | * | * | trans | -166.4 | 114.6 | 148.2 | -109.4 | -68.3 | 0 | 0 | 0 | 105.9 | ||||
| 12 | E | 27.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | cis | 73.4 | 103.2 | 25.7 | -153.4 | -173.4 | -101.7 | 0 | 0 | 114.9 | ||||
| 13 | T | 26.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | 179.2 | 167 | 114.3 | 30.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 14 | T | 33.4 | Very low | 27.9 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | 85.6 | 138.2 | 166.9 | 76.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 15 | N | 29.2 | Very low | 27.9 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | cis | -160.6 | 144.5 | -46.6 | -127.2 | -21.7 | 0 | 0 | 0 | 113.9 | ||||
| 16 | S | 26.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | 51.8 | 133.7 | 148.1 | 65.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 17 | G | 28.7 | Very low | 27.4 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | 130.4 | 89.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 18 | L | 25 | Very low | 27.4 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 45% | 0.45 | 69% | 0.685 | S | S | . | * | cis | 70.2 | 88.1 | 26.9 | -149.9 | -176.6 | 0 | 0 | 0 | 113.7 | P1484 | L18-P1484 HydrophobicContact CD1-CB 3.73Å; L18-P1484 HydrophobicContact CD2-CB 3.81Å; L18-P1484 HydrophobicContact CG-CB 4.34Å | ||
| 19 | M | 25.5 | Very low | 27.4 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 58% | 0.581 | 69% | 0.689 | S | S | * | * | trans | 174.5 | 154.1 | 137.6 | -105.1 | -171.2 | 174.9 | 0 | 0 | 117.4 | ||||
| 20 | I | 28.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | trans | 73.8 | 87.5 | 148.1 | -64.8 | 160.6 | 0 | 0 | 0 | 119 | ||||
| 21 | H | 24.8 | Very low | 27.4 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | 16.3 | 108 | 107.1 | -143.6 | -81.6 | 0 | 0 | 0 | 118.3 | |||||
| 22 | S | 27.3 | Very low | 27.4 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -146.5 | 112.4 | 152.7 | -68.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | C | 23.2 | Very low | 27.3 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -81 | 172.8 | 148.6 | -71.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 24 | D | 25.7 | Very low | 27.6 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | trans | 67.3 | 120.5 | 176.7 | -51.8 | -31.2 | 0 | 0 | 0 | 114.1 | ||||
| 25 | I | 30.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | 64.4 | 95.8 | 56.9 | -54.3 | 166.5 | 0 | 0 | 0 | 110.9 | |||||
| 26 | H | 25 | Very low | 27.4 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.787 | 68% | 0.678 | S | S | * | * | -155.6 | 116.3 | 123.1 | -100 | -66.3 | 0 | 0 | 0 | 104.8 | |||||
| 27 | D | 26.4 | Very low | 27.5 | Very low | 92 Ų | 92 | 121 Ų | 121 | 49% | 0.492 | 68% | 0.678 | S | S | . | * | 79.4 | 157.3 | 85 | -86.1 | -56 | 0 | 0 | 0 | 112.3 | F29 | D27-F29 VanDerWaalsContact OD1-CD2 3.28Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.48Å; D27-F29 WeakPolarHBondContact OD1-CE2 3.39Å | |||
| 28 | T | 27 | Very low | 27.5 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | cis | -115.5 | 160 | 22.4 | 45.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 29 | F | 26.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | 26.6 | 130.4 | 93.1 | -56.3 | -119.7 | 0 | 0 | 0 | 112.7 | D27 | D27-F29 VanDerWaalsContact OD1-CD2 3.28Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.48Å; D27-F29 WeakPolarHBondContact OD1-CE2 3.39Å | |||
| 30 | D | 29.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | cis | -119.6 | 150.7 | 39 | -83.7 | -57 | 0 | 0 | 0 | 114 | ||||
| 31 | S | 26.6 | Very low | 27.4 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | 68.6 | 153.4 | 54 | 109.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 32 | H | 30.2 | Very low | 27.4 | Very low | 154 Ų | 154 | 126 Ų | 126 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | cis | -158 | 170.4 | 17.3 | -133.4 | -19.7 | 0 | 0 | 0 | 110.8 | ||||
| 33 | I | 26.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | 74.2 | 144.4 | 146.5 | -78.3 | 163.6 | 0 | 0 | 0 | 117.1 | ||||
| 34 | P | 33.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | -134.6 | -145.4 | -125.5 | 45 | -29.2 | 0 | 0 | 0 | 112.8 | |||||
| 35 | S | 28.4 | Very low | 27.5 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | 131.1 | 156.4 | 133.2 | 73.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 36 | I | 29 | Very low | 27.3 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | 71.3 | 116.1 | 165.9 | -52.5 | -178.6 | 0 | 0 | 0 | 117.7 | ||||
| 37 | P | 30.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | trans | -93.2 | 156.9 | 164 | 37.2 | -32.8 | 0 | 0 | 0 | 112.7 | ||||
| 38 | S | 29.1 | Very low | 27.6 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -154 | 116.1 | 154.5 | -69.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 39 | N | 24.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | 58.5 | 126.6 | 77.5 | -91.1 | 1.3 | 0 | 0 | 0 | 115.1 | |||||
| 40 | H | 26.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | trans | 72.8 | 143 | 141.8 | -65.4 | -18.9 | 0 | 0 | 0 | 118.3 | ||||
| 41 | H | 25 | Very low | 27.8 | Very low | 124 Ų | 124 | 125 Ų | 125 | 57% | 0.574 | 68% | 0.677 | S | S | * | * | cis | -172.2 | -162.8 | -16.2 | -131.3 | -36.1 | 0 | 0 | 0 | 110.1 | ||||
| 42 | Y | 26 | Very low | 27.8 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | trans | 34.3 | 128.3 | 142.7 | -63.4 | -52.8 | 0 | 0 | 0 | 120 | ||||
| 43 | Y | 25.8 | Very low | 27.7 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | cis | -173.1 | -173.1 | -1.6 | -140 | -168.3 | 0 | 0 | 0 | 112.7 | ||||
| 44 | H | 26.4 | Very low | 27.7 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 53% | 0.532 | 69% | 0.691 | S | S | . | * | trans | 19.3 | 149.6 | 137.1 | -74.1 | -141.8 | 0 | 0 | 0 | 120.8 | ||||
| 45 | E | 24.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 127 Ų | 127 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | cis | -167.6 | -170.5 | 0.1 | -121.7 | 177.3 | 147.2 | 0 | 0 | 112.3 | ||||
| 46 | V | 27.2 | Very low | 27.3 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | trans | 13.6 | 134 | 143.8 | -177.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 47 | G | 29.2 | Very low | 27.2 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | cis | 146.8 | -176.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 48 | H | 28.4 | Very low | 27.2 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | 66.8 | 140.3 | 162.7 | -75.3 | -67.5 | 0 | 0 | 0 | 121.4 | ||||
| 49 | I | 28.2 | Very low | 27.1 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | 54.4 | 125.6 | 128.4 | -60.9 | 169.3 | 0 | 0 | 0 | 117.6 | |||||
| 50 | D | 29.3 | Very low | 27.4 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | cis | -170.7 | -167.4 | -20.4 | -120.2 | -60.3 | 0 | 0 | 0 | 106.1 | ||||
| 51 | G | 28.8 | Very low | 27.3 | Very low | 45 Ų | 45 | 130.7 Ų | 130.7 | 46% | 0.464 | 71% | 0.71 | S | S | . | * | cis | 143.2 | 134.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 52 | S | 27.2 | Very low | 27.9 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | 65.2 | 151.6 | 177.9 | 79.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 53 | D | 26.8 | Very low | 27.8 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | cis | -163.6 | 169.2 | -19.9 | -125.1 | -47.3 | 0 | 0 | 0 | 113.8 | ||||
| 54 | S | 27.6 | Very low | 27.7 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | 71.8 | 130.8 | 151.9 | 88.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 55 | M | 26.3 | Very low | 27.7 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | 93.8 | 148.9 | 79 | -80.3 | -165 | -174.5 | 0 | 0 | 114 | |||||
| 56 | N | 26.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 132 Ų | 132 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -160.6 | 159 | -13.1 | -130.7 | -17.9 | 0 | 0 | 0 | 111.8 | ||||
| 57 | T | 27 | Very low | 27.7 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | 61.3 | 162.4 | 151.1 | 58.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 58 | N | 29.5 | Very low | 27.4 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | cis | -143 | 155.3 | 11.2 | -100.9 | -50.4 | 0 | 0 | 0 | 111.9 | ||||
| 59 | G | 27.6 | Very low | 27.3 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 73.1 | 146.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 60 | L | 29.8 | Very low | 27 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | cis | -146.4 | 161 | -1.9 | -95.4 | 155.6 | 0 | 0 | 0 | 110.9 | ||||
| 61 | F | 25.2 | Very low | 26.9 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -83.6 | -175 | 171.7 | -93.6 | -85.1 | 0 | 0 | 0 | 111.3 | ||||
| 62 | P | 37.3 | Very low | 26.8 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | cis | -134.9 | 175.4 | -16.2 | 26.6 | -3.5 | 0 | 0 | 0 | 115.2 | ||||
| 63 | E | 24.6 | Very low | 26.7 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 46.7 | 155.8 | 137.4 | -66.6 | 177.8 | 133.4 | 0 | 0 | 122.7 | ||||
| 64 | W | 23.9 | Very low | 26.8 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | cis | -142.2 | 153.7 | -2.7 | -92 | -42.1 | 0 | 0 | 0 | 109.8 | ||||
| 65 | S | 26 | Very low | 26.8 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -171.1 | 126.3 | 130.2 | -89.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 66 | L | 23.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -83.8 | 144.4 | 169.2 | -79.8 | 158.1 | 0 | 0 | 0 | 110.5 | ||||
| 67 | K | 27.7 | Very low | 26.7 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -140.8 | 54.2 | 154.3 | -140.1 | 168.1 | -169.7 | 174 | 0 | 113.1 | S69 | K67-S69 PolarHBondContact O-N 3.28Š| ||
| 68 | L | 23.6 | Very low | 26.6 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -77.9 | 94.3 | 159.9 | -133.7 | 171.6 | 0 | 0 | 0 | 107.3 | S70 | L68-S70 PolarHBondContact O-N 3.5Š| ||
| 69 | S | 25.8 | Very low | 26.3 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 87.9 | -175.6 | -179 | 0 | 0 | 0 | 0 | 111.6 | K67 | K67-S69 PolarHBondContact O-N 3.28Š| ||
| 70 | S | 22.2 | Very low | 26 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -113.8 | 105 | 156.4 | 57 | 0 | 0 | 0 | 0 | 109.1 | L68 | L68-S70 PolarHBondContact O-N 3.5Š| ||
| 71 | K | 27.3 | Very low | 25.8 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -137.7 | 148.1 | 167.9 | -79.4 | -172.6 | 148.7 | -130.9 | 0 | 106.4 | ||||
| 72 | Q | 27.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 59% | 0.593 | 75% | 0.749 | S | S | * | * | cis | -151.4 | 136.9 | -14.5 | -104.8 | 170.3 | -80.8 | 0 | 0 | 104.5 | ||||
| 73 | D | 24 | Very low | 25.1 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 50 | 100.5 | 84.4 | -56.7 | -42.6 | 0 | 0 | 0 | 114.1 | |||||
| 74 | V | 29.1 | Very low | 25.3 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -141.4 | 97.5 | 161.4 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 75 | Y | 26.9 | Very low | 25.3 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | 63.6 | 162.2 | 157 | -76.7 | -103.3 | 0 | 0 | 0 | 116.2 | K77 | Y75-K77 HydrophobicContact CD1-CB 3.83Å; Y75-K77 HydrophobicContact CE1-CB 3.76Å; Y75-K77 HydrophobicContact CE1-CD 3.99Å; Y75-K77 HydrophobicContact CE1-CG 4.44Å | ||
| 76 | V | 25.2 | Very low | 25.4 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | cis | -97.7 | 158.8 | 20.8 | 179.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 77 | K | 27.2 | Very low | 25.8 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | -123.1 | 136.9 | -175.7 | -160.3 | -167 | -178.8 | -172.5 | 0 | 109.2 | Y75 | Y75-K77 HydrophobicContact CD1-CB 3.83Å; Y75-K77 HydrophobicContact CE1-CB 3.76Å; Y75-K77 HydrophobicContact CE1-CD 3.99Å; Y75-K77 HydrophobicContact CE1-CG 4.44Å | ||
| 78 | S | 24.8 | Very low | 25.6 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | 45 | 119.4 | 149.9 | 60.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 79 | N | 22.5 | Very low | 26 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | 35.6 | 145.8 | 120.6 | -47.5 | 22.1 | 0 | 0 | 0 | 121.5 | |||||
| 80 | S | 22.2 | Very low | 25.9 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -65.9 | 176 | 147.2 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | E | 24 | Very low | 26.2 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | cis | -160.1 | 150.9 | 8 | -141.2 | 147.4 | -93.5 | 0 | 0 | 106.1 | ||||
| 82 | D | 24.8 | Very low | 26.3 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -172.8 | 122.9 | 141.4 | -109.3 | -24.8 | 0 | 0 | 0 | 114.1 | ||||
| 83 | T | 24.9 | Very low | 26.1 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | 65.8 | 137.6 | 145.4 | 60.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 84 | T | 28 | Very low | 26.3 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | 69.9 | 103.5 | 146.8 | 48.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 85 | N | 24.4 | Very low | 26.2 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | 45.4 | 111.8 | 116.7 | -46.1 | -10.6 | 0 | 0 | 0 | 118.9 | |||||
| 86 | Y | 28.2 | Very low | 26.4 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -179.3 | 124.4 | 92.6 | -108.8 | -86.7 | 0 | 0 | 0 | 112.8 | |||||
| 87 | T | 30.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 37.8 | 124.9 | 146.2 | 57 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 88 | D | 24.1 | Very low | 26.5 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -59 | 169.6 | 146.1 | -56.9 | -73.7 | 0 | 0 | 0 | 112.1 | ||||
| 89 | P | 33 | Very low | 26.7 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | -139.5 | 139.4 | 96.6 | 36 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 90 | L | 23.4 | Very low | 26.8 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -74.6 | 145 | 163.5 | -73.4 | 158.3 | 0 | 0 | 0 | 111.7 | ||||
| 91 | F | 28.6 | Very low | 27.7 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -174.8 | 150.4 | 149.1 | -89.8 | -49.1 | 0 | 0 | 0 | 108.9 | ||||
| 92 | L | 27.7 | Very low | 27.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -146.6 | 159.9 | -2.7 | -149.8 | 141.3 | 0 | 0 | 0 | 109.6 | ||||
| 93 | S | 23.9 | Very low | 27.7 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | -99.3 | 159.6 | -171.2 | 55.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 94 | T | 28.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -137.8 | 103.5 | 151.2 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 95 | N | 26.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 21 | 129.5 | 143.5 | -48.5 | -12.1 | 0 | 0 | 0 | 120.7 | ||||
| 96 | L | 30.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | -168.9 | 136.7 | 101.5 | -100.9 | 145.3 | 0 | 0 | 0 | 112.5 | |||||
| 97 | E | 26.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 12.1 | 134.3 | 146.4 | -72.7 | 172 | 179.1 | 0 | 0 | 120.3 | ||||
| 98 | L | 29.5 | Very low | 27.5 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | cis | -145.5 | 153.4 | 6.5 | -70.6 | 106.1 | 0 | 0 | 0 | 113.5 | ||||
| 99 | N | 27.5 | Very low | 27.4 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 33.3 | 113.4 | 145.7 | -51.2 | -9.7 | 0 | 0 | 0 | 119.4 | ||||
| 100 | Y | 25.7 | Very low | 27 | Very low | 223 Ų | 223 | 151.2 Ų | 151.2 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | cis | 71.1 | 156.7 | 10.3 | -80 | -42.3 | 0 | 0 | 0 | 116.8 | ||||
| 101 | P | 40 | Very low | 27.2 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -146 | -158.8 | -75.5 | 36.6 | -12.4 | 0 | 0 | 0 | 115.9 | |||||
| 102 | K | 23.8 | Very low | 27.1 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -61.6 | 142.7 | 154.9 | -63.3 | 178.6 | 178.3 | -179.1 | 0 | 111.5 | ||||
| 103 | L | 25.7 | Very low | 27.1 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 165.5 | 161.6 | 119.3 | -101.6 | 129.4 | 0 | 0 | 0 | 110.8 | |||||
| 104 | S | 25.6 | Very low | 27.3 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -143.8 | 139.5 | -177.6 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | Y | 25.4 | Very low | 27.6 | Very low | 213 Ų | 213 | 150 Ų | 150 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -151.9 | 147.6 | 162.7 | -111.8 | -74.1 | 0 | 0 | 0 | 111.8 | ||||
| 106 | T | 26.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 49.4 | 118.2 | 166 | 48.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 107 | T | 28.1 | Very low | 27.4 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -115.2 | 135.8 | 163.3 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | E | 26.2 | Very low | 27.4 | Very low | 199 Ų | 199 | 143 Ų | 143 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -120.1 | 152.4 | 135.1 | -78.1 | -163.6 | 145.2 | 0 | 0 | 107.9 | ||||
| 109 | C | 22.3 | Very low | 27.3 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -86.8 | 140.7 | -154.1 | -57.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 110 | N | 25 | Very low | 27.1 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | -162.1 | 152.3 | 123.9 | -96.6 | -38.9 | 0 | 0 | 0 | 112 | |||||
| 111 | S | 26.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | 48.2 | 107.7 | 164.7 | 54.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 112 | E | 26.2 | Very low | 26.9 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 72.5 | 116.1 | 129.3 | -65 | 166.1 | 179.6 | 0 | 0 | 121.2 | |||||
| 113 | Q | 28.7 | Very low | 27 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 59.8 | 136.3 | 142.8 | -59.6 | 176.2 | -80.3 | 0 | 0 | 119.1 | ||||
| 114 | E | 28.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | cis | -162.9 | 159.1 | 2.3 | -121.4 | 164.6 | -149.2 | 0 | 0 | 110.9 | ||||
| 115 | I | 33.3 | Very low | 27.3 | Very low | 136 Ų | 136 | 137 Ų | 137 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | trans | 58 | 91.8 | 154.6 | -58 | 159.7 | 0 | 0 | 0 | 116.8 | ||||
| 116 | S | 25.1 | Very low | 27.4 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 44.7 | 136.6 | 85.6 | 73.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 117 | S | 29.6 | Very low | 27.5 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -161.3 | 148.8 | 19.8 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 118 | S | 26.4 | Very low | 27.6 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 62.1 | 143.8 | 52.9 | 82.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 119 | L | 27.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -165.1 | 179.6 | -11.7 | -117.8 | 172.7 | 0 | 0 | 0 | 111.2 | ||||
| 120 | L | 22 | Very low | 28.4 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -149.3 | 154.7 | 163 | -126.7 | 97.4 | 0 | 0 | 0 | 106.6 | ||||
| 121 | P | 36 | Very low | 28.4 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | cis | -137.4 | -155.1 | -19.6 | 35.3 | -12.3 | 0 | 0 | 0 | 112.6 | ||||
| 122 | D | 26.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | 79.1 | 158.1 | 150.2 | -64.5 | -14 | 0 | 0 | 0 | 122.4 | ||||
| 123 | C | 26.4 | Very low | 28.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -108.2 | 137.8 | -162.8 | -80 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 124 | L | 27.9 | Very low | 28.5 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 38.9 | 131.4 | 130.7 | -62.8 | 167.7 | 0 | 0 | 0 | 119.2 | ||||
| 125 | S | 28.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -165.4 | 156.6 | 7.8 | 45 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 126 | K | 27.3 | Very low | 28.2 | Very low | 207 Ų | 207 | 134.5 Ų | 134.5 | 90% | 0.9 | 76% | 0.764 | S | S | * | * | trans | -81.8 | 143.6 | 158.7 | -81.4 | -174 | 174.8 | -179.2 | 0 | 109.6 | ||||
| 127 | G | 29.8 | Very low | 28.5 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -76.4 | 136.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 128 | L | 29 | Very low | 28.3 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 46.8 | 107.2 | 148.3 | -75.1 | 158.9 | 0 | 0 | 0 | 119.5 | ||||
| 129 | S | 27.2 | Very low | 28.5 | Very low | 81 Ų | 81 | 141 Ų | 141 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | trans | 72.4 | 140.4 | 142 | -100.4 | 0 | 0 | 0 | 0 | 118.4 | L131 | S129-L131 VanDerWaalsContact C-N 3.29Š| ||
| 130 | E | 39.7 | Very low | 28.7 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | cis | 56.9 | 36.5 | 23.2 | -150.8 | 173.9 | -164.5 | 0 | 0 | 112.7 | ||||
| 131 | L | 24.4 | Very low | 29 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 54% | 0.539 | 78% | 0.779 | S | S | . | * | trans | -152 | 38.4 | 167.2 | -134.9 | 137.5 | 0 | 0 | 0 | 112.6 | S129 N133 K134 | S129-L131 VanDerWaalsContact C-N 3.29Å; L131-N133 WeakPolarHBondContact CD2-O 3.5Å; L131-N133 CarbonylContact O-C 3.55Å; L131-K134 WeakPolarHBondContact CD2-O 3.42Å | ||
| 132 | V | 26.2 | Very low | 28.5 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -97.5 | 81 | 140 | -177.6 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 133 | N | 28.9 | Very low | 28.7 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | S | Bend | -99 | 136.3 | 57.5 | -63.6 | -64.2 | 0 | 0 | 0 | 117.6 | L131 | L131-N133 WeakPolarHBondContact CD2-O 3.5Å; L131-N133 CarbonylContact O-C 3.55Å | |
| 134 | K | 29.6 | Very low | 28.8 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 71.2 | 86.9 | 168 | -59.4 | -174.6 | 177.7 | -176.2 | 0 | 116.7 | L131 | L131-K134 WeakPolarHBondContact CD2-O 3.42Š|
| 135 | L | 27.6 | Very low | 29 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | -161.7 | 119.4 | 61.3 | -84.3 | 162.1 | 0 | 0 | 0 | 111 | |||||
| 136 | N | 27.4 | Very low | 29 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -157 | 81.6 | 150 | -130.7 | -9.5 | 0 | 0 | 0 | 108.2 | ||
| 137 | N | 30 | Very low | 28.8 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -177.8 | 67.4 | 163.7 | -98.4 | -14.5 | 0 | 0 | 0 | 108.7 | N139 | N137-N139 PolarHBondContact O-N 3.44Š| ||
| 138 | D | 25.9 | Very low | 28.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -71.3 | 110.8 | 155.8 | -72.3 | -45.2 | 0 | 0 | 0 | 107.5 | ||||
| 139 | N | 29.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -174.6 | 82.9 | 164.2 | -99.2 | -44.5 | 0 | 0 | 0 | 110.7 | N137 | N137-N139 PolarHBondContact O-N 3.44Š| ||
| 140 | T | 33.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | -175.2 | 130.9 | 118.6 | 21.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 141 | D | 27.3 | Very low | 28 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 160.6 | 179 | -85.8 | -55.4 | 0 | 0 | 0 | 114.5 | ||||
| 142 | H | 26.7 | Very low | 28.2 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 45.4 | 113.5 | 147.1 | -57.7 | -29.2 | 0 | 0 | 0 | 120.3 | ||||
| 143 | G | 28.9 | Very low | 28.4 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -132.1 | 4.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 144 | I | 28 | Very low | 28.5 | Very low | 166 Ų | 166 | 146 Ų | 146 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 70.2 | 151 | 170.1 | -67.4 | 174.2 | 0 | 0 | 0 | 116.3 | ||||
| 145 | P | 32.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -114.6 | 173.5 | -170.8 | 42.4 | -32.3 | 0 | 0 | 0 | 115.4 | ||||
| 146 | N | 29.2 | Very low | 28.6 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -165.3 | 129 | 147.6 | -87.1 | -36.4 | 0 | 0 | 0 | 107.3 | ||||
| 147 | Q | 24.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 71.4 | 99.5 | 64.5 | -71.5 | -162.3 | 5.1 | 0 | 0 | 115.6 | |||||
| 148 | S | 27.8 | Very low | 28.4 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -179.7 | 152.9 | 134.2 | 32.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 149 | E | 28.9 | Very low | 28.3 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 29.3 | 117.2 | 159.9 | -68.5 | 128.7 | -129.1 | 0 | 0 | 120.2 | ||||
| 150 | C | 22.7 | Very low | 28 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 66.7 | 107.5 | 52.3 | -56.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 151 | Y | 28.2 | Very low | 27.6 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | 177.5 | 141.1 | 120.2 | -110 | -89.1 | 0 | 0 | 0 | 110.7 | |||||
| 152 | E | 29.2 | Very low | 27.5 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 56.4 | 145.4 | 162.8 | -74.8 | 158.2 | -151.7 | 0 | 0 | 119.9 | ||||
| 153 | S | 31 | Very low | 27.6 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | -165.7 | 141.8 | -11.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 154 | N | 29.9 | Very low | 28 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 62.7 | 154.5 | 152.7 | -55.3 | 1 | 0 | 0 | 0 | 120.4 | ||||
| 155 | E | 29.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -158.8 | 177.1 | -31.7 | -109.3 | -157.1 | 141.5 | 0 | 0 | 110.5 | ||||
| 156 | L | 29.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | -21.2 | 143.6 | 171.8 | -77.7 | 69.3 | 0 | 0 | 0 | 118.6 | ||||
| 157 | S | 26.6 | Very low | 27.5 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | cis | 97.9 | 133.4 | 38.2 | 88.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 158 | N | 27.5 | Very low | 27.6 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | 8.2 | 122.2 | 165.5 | -63.4 | -10.5 | 0 | 0 | 0 | 120 | ||||
| 159 | C | 23 | Very low | 27.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 176.6 | 165.9 | 118.5 | -102.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 160 | L | 23.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | 25.1 | 125.2 | 149.7 | -87.7 | 72.9 | 0 | 0 | 0 | 122.5 | ||||
| 161 | T | 24.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | 49.6 | 165.5 | 129.5 | 64.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 162 | T | 25.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | 79 | 92.5 | 158 | 20.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 163 | I | 30 | Very low | 27.7 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -42.2 | 153.2 | 131.1 | -71.7 | 162.1 | 0 | 0 | 0 | 110.7 | ||||
| 164 | P | 35.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | cis | -141.6 | -165.4 | 27.7 | 28.8 | -2.4 | 0 | 0 | 0 | 117.6 | ||||
| 165 | S | 26.1 | Very low | 27.1 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 75.4 | 121 | 149.5 | 45.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 166 | T | 26.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | cis | 72.4 | 114.9 | 48.5 | 70.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 167 | L | 28.2 | Very low | 26.6 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | -177 | 145.6 | 121.7 | -121.1 | 68.4 | 0 | 0 | 0 | 113.6 | |||||
| 168 | N | 26.2 | Very low | 26.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 55% | 0.551 | 73% | 0.731 | S | S | * | * | trans | 37.9 | 140.2 | 140.9 | -61.3 | -8.2 | 0 | 0 | 0 | 123.1 | F170 | N168-F170 HydrophobicContact CB-CD2 4.05Å; N168-F170 HydrophobicContact CB-CE2 4.31Å; N168-F170 WeakPolarHBondContact ND2-CE2 3.2Å | ||
| 169 | I | 32.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 129 Ų | 129 | 82% | 0.821 | 73% | 0.726 | S | S | * | * | -163.6 | 116.9 | 102.3 | -96.6 | 153.1 | 0 | 0 | 0 | 107.9 | |||||
| 170 | F | 26.7 | Very low | 26.5 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | 68.5 | 134.2 | 77.3 | -89 | -122.5 | 0 | 0 | 0 | 113.1 | N168 | N168-F170 HydrophobicContact CB-CD2 4.05Å; N168-F170 HydrophobicContact CB-CE2 4.31Å; N168-F170 WeakPolarHBondContact ND2-CE2 3.2Å | |||
| 171 | T | 25.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 63% | 0.632 | 72% | 0.724 | S | S | * | * | cis | -170 | 178.9 | -7.4 | 8.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 172 | S | 26.8 | Very low | 27.4 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | 72.9 | 145.2 | 148.9 | 65.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 173 | F | 25.3 | Very low | 27.7 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 82% | 0.82 | 72% | 0.72 | S | S | * | * | cis | -158.3 | 152.8 | -12 | -116.1 | -42 | 0 | 0 | 0 | 112.1 | ||||
| 174 | T | 24.5 | Very low | 27.8 | Very low | 103 Ų | 103 | 129 Ų | 129 | 63% | 0.632 | 72% | 0.715 | S | S | * | * | trans | 55.5 | 122.4 | 148.5 | 52.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 175 | N | 24.3 | Very low | 27.5 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | 92.9 | 132.9 | 124.7 | -65.4 | 2.4 | 0 | 0 | 0 | 122.7 | |||||
| 176 | S | 25.4 | Very low | 27.5 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | 55.5 | 95.9 | 143.4 | 62 | 0 | 0 | 0 | 0 | 120 | ||||
| 177 | E | 24.6 | Very low | 27.5 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | 57.6 | 126.9 | 110.3 | -70 | -176.2 | 137.9 | 0 | 0 | 121.7 | |||||
| 178 | V | 23.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | 83.2 | 95.7 | 144.8 | 179.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 179 | N | 23.4 | Very low | 27.2 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 63.1 | 119 | 132.4 | -64.9 | -21.9 | 0 | 0 | 0 | 123.5 | ||||
| 180 | N | 28.3 | Very low | 26.7 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | 56.6 | 113.9 | 128.7 | -64.4 | -9.4 | 0 | 0 | 0 | 121.6 | |||||
| 181 | K | 32.2 | Very low | 27.2 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -162.8 | 147.7 | 145.8 | -109.7 | 169.9 | -175 | 170.9 | 0 | 108.2 | ||||
| 182 | V | 33.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -135.7 | 146.3 | 1.5 | -134.6 | 0 | 0 | 0 | 0 | 105.6 | ||
| 183 | N | 32.5 | Very low | 27.3 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -128.7 | 155.6 | 18.7 | -51.3 | -52.5 | 0 | 0 | 0 | 109.8 | ||
| 184 | S | 31.2 | Very low | 27.4 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -179.3 | 139.1 | -14.1 | 46.9 | 0 | 0 | 0 | 0 | 106.8 | ||
| 185 | L | 29.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 63% | 0.634 | 76% | 0.755 | S | S | * | * | cis | -154.7 | 129.8 | -3.1 | -98.4 | 154.5 | 0 | 0 | 0 | 106.9 | ||||
| 186 | N | 26.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | 56.2 | 130.5 | 164.3 | -59.7 | 2.3 | 0 | 0 | 0 | 120.2 | ||||
| 187 | S | 26 | Very low | 28.1 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 67.7 | 135.5 | 155.2 | 65.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 188 | S | 24.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 69.7 | 153.1 | 172.3 | 79.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 189 | N | 23.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 17.2 | 129 | 156.2 | -59.3 | -8.6 | 0 | 0 | 0 | 122 | ||||
| 190 | C | 22.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 71.4 | 164.4 | 137.6 | -66.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 191 | Y | 36.8 | Very low | 28.2 | Very low | 231 Ų | 231 | 137.6 Ų | 137.6 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -54.1 | 141.5 | 168.5 | -66.9 | -102.5 | 0 | 0 | 0 | 113.5 | ||||
| 192 | P | 29 | Very low | 28 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -147.8 | 169.7 | 137.6 | 33.7 | -15.8 | 0 | 0 | 0 | 114.5 | ||||
| 193 | S | 27.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | cis | -170.6 | 139.5 | -32.8 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 194 | L | 25.6 | Very low | 27.2 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -159.6 | 119.5 | 163 | -98 | 171 | 0 | 0 | 0 | 106.2 | ||
| 195 | S | 29 | Very low | 27.5 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -153.3 | 141.4 | -5.3 | 58.4 | 0 | 0 | 0 | 0 | 111 | ||
| 196 | H | 28.7 | Very low | 27.5 | Very low | 180 Ų | 180 | 136 Ų | 136 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | trans | 55.6 | 81.9 | 165.4 | -64.8 | -71.4 | 0 | 0 | 0 | 119.6 | ||||
| 197 | K | 31.3 | Very low | 27.5 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | 161.1 | 92.6 | 134.9 | -89.8 | 165.9 | -178.4 | -177.5 | 0 | 108.4 | ||||
| 198 | S | 29.3 | Very low | 27.6 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | 65.4 | 129.3 | 45.2 | 88.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 199 | H | 25 | Very low | 27.8 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | cis | -169.9 | 128.6 | -14.6 | -117.5 | -67.3 | 0 | 0 | 0 | 106.2 | ||||
| 200 | S | 22.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 61 | 154.2 | -166.3 | 12.4 | 0 | 0 | 0 | 0 | 114 | ||
| 201 | D | 24.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 58.8 | 174.1 | 175.3 | -49.8 | -35.6 | 0 | 0 | 0 | 117.8 | ||
| 202 | H | 28.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | trans | 42.1 | 112.3 | 156.1 | -66.5 | -59.5 | 0 | 0 | 0 | 122.4 | ||||
| 203 | L | 24.4 | Very low | 28.1 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 59% | 0.592 | 71% | 0.706 | S | S | * | * | 53.1 | 140.5 | 113.3 | -67.2 | 174.9 | 0 | 0 | 0 | 122.1 | |||||
| 204 | Y | 26.1 | Very low | 28.3 | Very low | 152 Ų | 152 | 135 Ų | 135 | 60% | 0.596 | 70% | 0.704 | S | S | * | * | trans | 72.6 | 137.4 | 156.6 | -81.9 | -134.4 | 0 | 0 | 0 | 114.9 | ||||
| 205 | S | 36.2 | Very low | 28.4 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | cis | 69 | 155.7 | 33.8 | 99.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 206 | P | 30.7 | Very low | 28.2 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -136.2 | 128.2 | 152.3 | 33.6 | -18.7 | 0 | 0 | 0 | 113.4 | ||
| 207 | I | 25.6 | Very low | 28.1 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 68.8 | 118.2 | 155.5 | -51 | 159.4 | 0 | 0 | 0 | 113.9 | ||
| 208 | S | 27.8 | Very low | 27.9 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -157.6 | 146.8 | 7.4 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 209 | T | 30.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | cis | -165 | 139.3 | 8.2 | 8.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 210 | K | 29.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 124 Ų | 124 | 61% | 0.609 | 68% | 0.683 | S | S | * | * | trans | 49.8 | 142.3 | 136.8 | -68 | 174.7 | 171.2 | -174.2 | 0 | 120.5 | ||||
| 211 | Y | 30.4 | Very low | 28.5 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | cis | -149.3 | 150.2 | 18.1 | -121.3 | -60.8 | 0 | 0 | 0 | 112.8 | ||||
| 212 | N | 29.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | trans | -29.8 | 158.5 | 171.3 | -64.2 | 66.4 | 0 | 0 | 0 | 118.6 | ||||
| 213 | D | 28.7 | Very low | 29.1 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 49% | 0.492 | 70% | 0.698 | S | S | . | * | cis | -152 | -162.5 | -6.7 | -97.7 | -21.1 | 0 | 0 | 0 | 108.7 | ||||
| 214 | H | 31 | Very low | 29.1 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | cis | -161.7 | 162.7 | 39.6 | -79.9 | -68.6 | 0 | 0 | 0 | 109.4 | ||||
| 215 | T | 27.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | cis | 78.9 | 126.9 | 29.3 | 71.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 216 | S | 25.1 | Very low | 28.6 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | cis | -157 | -175.9 | 2.3 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 217 | S | 26.5 | Very low | 28.3 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | trans | -91.1 | -171.8 | 171.1 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 218 | H | 27.6 | Very low | 28.2 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | cis | -161.9 | 172.8 | 32.5 | -136.6 | -77.9 | 0 | 0 | 0 | 115.2 | ||||
| 219 | S | 26.2 | Very low | 28.1 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | -24.7 | 133.4 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 220 | S | 36.7 | Very low | 28 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 57 | 134.9 | 135.6 | 66.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 221 | N | 26.2 | Very low | 27.9 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | 67.4 | 92.5 | 167.1 | -73.8 | 8.9 | 0 | 0 | 0 | 118.1 | ||||
| 222 | L | 41.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -39.5 | 142.9 | 152.5 | -50.9 | 100.8 | 0 | 0 | 0 | 113.1 | ||||
| 223 | T | 24.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | -177.7 | 126.8 | 102.3 | 26.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 224 | N | 23.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -167.2 | 121.9 | 152.8 | -106.9 | 9.7 | 0 | 0 | 0 | 105.4 | ||||
| 225 | E | 25.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | S | Bend | cis | -140.5 | 175.7 | -4.6 | -72 | -179.8 | 96.4 | 0 | 0 | 109.8 | ||
| 226 | S | 27.7 | Very low | 27.2 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 42.9 | 104.9 | 159.5 | 58 | 0 | 0 | 0 | 0 | 118 | ||||
| 227 | L | 23 | Very low | 27.2 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | 37.3 | 126.2 | 86.3 | -83.4 | 82.5 | 0 | 0 | 0 | 115.5 | |||||
| 228 | N | 23.5 | Very low | 27.1 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 51.3 | 112.1 | 152.7 | -68.4 | -26.3 | 0 | 0 | 0 | 118.5 | ||||
| 229 | I | 27 | Very low | 27 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | 178.7 | 144.9 | 111.1 | -92.9 | 154.2 | 0 | 0 | 0 | 110.5 | |||||
| 230 | S | 27.5 | Very low | 27.1 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 69.2 | 135.8 | 171.1 | -70.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 231 | K | 26.8 | Very low | 26.5 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | 66 | 133 | 51.8 | -63.4 | 174.7 | 178.6 | -177.9 | 0 | 111.1 | |||||
| 232 | M | 25.8 | Very low | 26.5 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | cis | -153.1 | 158.2 | 7.4 | -102.9 | 134.8 | 60.2 | 0 | 0 | 106.4 | ||||
| 233 | F | 30.2 | Very low | 26 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | cis | -146.2 | 160.1 | 15.4 | -100.8 | -64 | 0 | 0 | 0 | 111.6 | ||||
| 234 | N | 28.2 | Very low | 25.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | trans | 17.6 | 137.4 | 150.7 | -65.8 | 34.8 | 0 | 0 | 0 | 120.7 | D236 | N234-D236 PolarHBondContact ND2-OD2 2.58Š| ||
| 235 | L | 23.2 | Very low | 26 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | cis | 61.5 | 84.6 | 7.8 | -138 | -173.9 | 0 | 0 | 0 | 115.5 | ||||
| 236 | D | 26 | Very low | 26 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | trans | -152.8 | 134.9 | 143.4 | -81.8 | -54.4 | 0 | 0 | 0 | 106.5 | N234 | N234-D236 PolarHBondContact ND2-OD2 2.58Š| ||
| 237 | H | 23.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | 86.6 | 148.8 | 55.9 | -111.5 | 56.8 | 0 | 0 | 0 | 114.4 | |||||
| 238 | Y | 25.8 | Very low | 26.3 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | trans | 69.9 | 111.7 | -173.9 | -69 | -87.2 | 0 | 0 | 0 | 115 | ||||
| 239 | E | 24.8 | Very low | 26.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | 83.6 | 143.2 | 72.5 | -79.3 | -175.3 | -164.8 | 0 | 0 | 112.4 | |||||
| 240 | T | 28 | Very low | 26.3 | Very low | 100 Ų | 100 | 142 Ų | 142 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | cis | -157.2 | 157.8 | 19.3 | -11.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 241 | M | 25.4 | Very low | 26.4 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | 61.6 | 140.6 | 163.6 | -50.5 | -56.5 | 178.6 | 0 | 0 | 118.1 | ||||
| 242 | K | 24.3 | Very low | 26.3 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 83% | 0.83 | 72% | 0.717 | S | S | * | * | cis | 73.3 | 149.6 | 30.7 | -71.4 | -168.9 | 174.2 | -178.9 | 0 | 115.6 | ||||
| 243 | P | 30.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | cis | -144.3 | 173 | -33.4 | 39 | -20.8 | 0 | 0 | 0 | 115.9 | ||||
| 244 | S | 22.9 | Very low | 26.1 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | 55.8 | 121.9 | 140 | 63.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 245 | F | 26 | Very low | 26.2 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | 74 | 128.1 | 132.5 | -83.5 | -107.7 | 0 | 0 | 0 | 122.8 | ||||
| 246 | N | 26.2 | Very low | 26.5 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | trans | 64.4 | 149.6 | 151.8 | -69.1 | 35.3 | 0 | 0 | 0 | 118.9 | ||||
| 247 | D | 27.9 | Very low | 26.6 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | cis | -160.2 | 149.1 | -8.9 | -121.4 | -30.7 | 0 | 0 | 0 | 108.5 | ||||
| 248 | K | 27.6 | Very low | 26.8 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | trans | 65.4 | 149.7 | 159.6 | -65.2 | 169.5 | -170.9 | 171.9 | 0 | 117.6 | ||||
| 249 | D | 27 | Very low | 26.9 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | -151.2 | 149.8 | -5.1 | -105 | -32.4 | 0 | 0 | 0 | 110.2 | ||||
| 250 | L | 24.4 | Very low | 27.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 158.3 | 166.9 | -86 | 74.3 | 0 | 0 | 0 | 120.8 | ||||
| 251 | I | 28.5 | Very low | 26.9 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | 81.6 | 95.6 | 168.3 | -46.9 | -171 | 0 | 0 | 0 | 118.9 | ||||
| 252 | H | 24.8 | Very low | 26.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | 56.2 | 140.1 | 131.3 | -115.4 | -91.4 | 0 | 0 | 0 | 124.5 | ||||
| 253 | E | 26 | Very low | 26.9 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | 71 | 132.4 | 163.4 | -56 | -140.3 | 135.6 | 0 | 0 | 120.8 | ||||
| 254 | G | 27.2 | Very low | 26.6 | Very low | 68 Ų | 68 | 150 Ų | 150 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 132.1 | 120.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | T | 29.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | cis | -159.5 | 168.4 | -5.8 | -24.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 256 | L | 30.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 73 | 133.1 | 170.6 | -93.6 | 72.3 | 0 | 0 | 0 | 118.5 | ||||
| 257 | Q | 28.3 | Very low | 26.7 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -92.3 | 178.8 | 179.6 | -57.2 | 161.5 | -50.7 | 0 | 0 | 111.2 | ||||
| 258 | L | 26.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 79.5 | 91.9 | 158.6 | -64.1 | 168.8 | 0 | 0 | 0 | 118.8 | ||||
| 259 | Q | 27.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 109.2 | 135.8 | 106.1 | -163.8 | 167.1 | -2.2 | 0 | 0 | 118.5 | |||||
| 260 | T | 29.2 | Very low | 26.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | trans | 65.5 | 96.7 | 165.2 | 34.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 261 | S | 23.6 | Very low | 26.8 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 60.2 | 149.2 | 114.5 | -50.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 262 | F | 27.2 | Very low | 26.7 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | trans | 75.4 | 82.7 | 170.1 | -75.3 | -82.8 | 0 | 0 | 0 | 118.5 | ||||
| 263 | E | 22.7 | Very low | 26.9 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -97.1 | 116.1 | 141.2 | -84.3 | -147.7 | 136.4 | 0 | 0 | 110.9 | ||||
| 264 | K | 24.6 | Very low | 27 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -178.4 | 148.5 | 140.6 | -104.3 | 168.7 | -176.9 | 178.2 | 0 | 109.9 | ||||
| 265 | V | 25.4 | Very low | 27.1 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 68.6 | 84 | 173.1 | -165.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 266 | K | 27.2 | Very low | 27.1 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | -166.7 | 108.8 | 113.8 | -108.5 | 165.5 | -174 | 171.9 | 0 | 115 | |||||
| 267 | N | 24.9 | Very low | 27 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 9.4 | 136.2 | 135.5 | -50.6 | -6.7 | 0 | 0 | 0 | 118.7 | ||||
| 268 | F | 26.6 | Very low | 27 | Very low | 203 Ų | 203 | 153.2 Ų | 153.2 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -147.4 | 137 | 125.7 | -121.1 | -74.2 | 0 | 0 | 0 | 113.4 | |||||
| 269 | T | 25.1 | Very low | 27 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -108.3 | 121.7 | 177.9 | 29 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 270 | T | 29.3 | Very low | 27 | Very low | 113 Ų | 113 | 154 Ų | 154 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | -154.8 | 136 | 164.3 | 30.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 271 | N | 28.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 154.1 Ų | 154.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | cis | -123.2 | 150 | 20.3 | -54.7 | -70.5 | 0 | 0 | 0 | 109.4 | ||||
| 272 | K | 26 | Very low | 26.9 | Very low | 184 Ų | 184 | 157.7 Ų | 157.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | cis | 59.4 | 96 | 10.2 | -161.7 | 172.2 | -172.7 | 174.2 | 0 | 117.4 | ||||
| 273 | K | 29.1 | Very low | 27 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 161.2 | 138 | 149 | -90.9 | 170.5 | 177.8 | 179.9 | 0 | 106.8 | ||||
| 274 | L | 28.3 | Very low | 27 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -154.9 | 178.2 | -1.9 | -92.3 | 153.5 | 0 | 0 | 0 | 106.6 | ||||
| 275 | L | 29.2 | Very low | 27.1 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | cis | -157.9 | 140.3 | 15.3 | -153.9 | 122.1 | 0 | 0 | 0 | 108.6 | ||||
| 276 | H | 29.5 | Very low | 27 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 33 | 134.2 | 163.5 | -63 | -50.7 | 0 | 0 | 0 | 122 | ||||
| 277 | N | 28.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 143 Ų | 143 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | cis | -145.4 | -136.3 | 1.3 | -140.2 | 44.9 | 0 | 0 | 0 | 111.2 | ||||
| 278 | D | 27 | Very low | 26.8 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | cis | -154.5 | -179.5 | 7.9 | -132.9 | -18.2 | 0 | 0 | 0 | 114.6 | ||||
| 279 | E | 27.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | trans | -97.7 | 167.9 | -174.8 | -77.6 | 173.1 | -177.9 | 0 | 0 | 114.4 | ||||
| 280 | Y | 27.3 | Very low | 26.8 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -161.6 | 155.2 | 0.2 | -119 | -37.4 | 0 | 0 | 0 | 114 | ||||
| 281 | T | 25.7 | Very low | 26.5 | Very low | 115 Ų | 115 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 42.9 | 130.1 | 150.9 | 51.7 | 0 | 0 | 0 | 0 | 126 | ||||
| 282 | E | 24.7 | Very low | 26.3 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | 17.7 | 161.6 | 105.7 | -79.2 | -170.4 | -167.6 | 0 | 0 | 121.5 | |||||
| 283 | P | 30 | Very low | 26.3 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | cis | -146.7 | -154.7 | 33.4 | 45 | -22.9 | 0 | 0 | 0 | 117.3 | ||||
| 284 | S | 23.1 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -106.2 | -147.7 | -174.7 | 62.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 285 | V | 25.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 83.2 | 133 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 286 | S | 23.6 | Very low | 25.9 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | cis | -174.9 | 160.6 | -13.3 | 59 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 287 | L | 24.2 | Very low | 25.7 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 63.8 | 157.4 | 144.7 | -73.7 | 164.1 | 0 | 0 | 0 | 118.7 | ||||
| 288 | S | 24.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -157.2 | 146 | -1.7 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 289 | A | 25.6 | Very low | 25.3 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -164.2 | 130.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 290 | E | 25.2 | Very low | 25.2 | Very low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | 46 | 104.3 | 157.2 | -59.8 | -173.5 | 137.3 | 0 | 0 | 120.7 | ||||
| 291 | E | 22.2 | Very low | 25 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -72.6 | -170.8 | 149.6 | -60.6 | 174.3 | 87.9 | 0 | 0 | 111.5 | ||||
| 292 | I | 25.6 | Very low | 25 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | 110.2 | 130.5 | 155.9 | -58.6 | 169.5 | 0 | 0 | 0 | 116.7 | ||||
| 293 | V | 26.4 | Very low | 24.9 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | 79.8 | 96.8 | 163.7 | 161.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 294 | K | 25.8 | Very low | 24.9 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 69.8 | 117.4 | 135.4 | -62.1 | 179.8 | -174.1 | 175 | 0 | 121.3 | ||||
| 295 | R | 25.7 | Very low | 24.9 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -69.3 | 131.1 | 136.5 | -81.3 | -178.6 | 173.1 | 166 | -1.9 | 110.7 | ||
| 296 | H | 25.3 | Very low | 25 | Very low | 160 Ų | 160 | 152 Ų | 152 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 73.3 | 162.9 | 142.1 | -72.4 | 59.1 | 0 | 0 | 0 | 120.8 | ||||
| 297 | I | 26.2 | Very low | 25.1 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 76.6 | 123.4 | -173.5 | -54 | 175.1 | 0 | 0 | 0 | 110.9 | ||||
| 298 | I | 23.5 | Very low | 25.1 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -84.4 | 111.9 | 31.4 | -54.9 | 179.3 | 0 | 0 | 0 | 115.1 | S300 | I298-S300 WeakPolarHBondContact CG2-OG 3.33Š| ||
| 299 | H | 24.7 | Very low | 25.2 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -106.3 | 123 | 142.8 | -154.4 | -74.5 | 0 | 0 | 0 | 104.9 | ||||
| 300 | S | 24.8 | Very low | 25.2 | Very low | 86 Ų | 86 | 160.6 Ų | 160.6 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -140.2 | 123.2 | 170.6 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | I298 | I298-S300 WeakPolarHBondContact CG2-OG 3.33Š| ||
| 301 | Y | 23.3 | Very low | 25.2 | Very low | 207 Ų | 207 | 157.3 Ų | 157.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | cis | -100.6 | 135.2 | 18.9 | -86.8 | -106.7 | 0 | 0 | 0 | 115.4 | ||
| 302 | T | 25.4 | Very low | 25.5 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 131.8 | 141 | 49.7 | 0 | 0 | 0 | 0 | 108 | K304 | T302-K304 PolarHBondContact O-N 3.12Š|
| 303 | N | 23.3 | Very low | 25.6 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.9 | 163.8 | -84.9 | -3.8 | 0 | 0 | 0 | 109.4 | ||
| 304 | K | 28.8 | Very low | 25.6 | Very low | 197 Ų | 197 | 154 Ų | 154 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -119.3 | 140.4 | 145.9 | -89.5 | -167.2 | 170.8 | -172.3 | 0 | 107.5 | T302 | T302-K304 PolarHBondContact O-N 3.12Š| ||
| 305 | N | 23.7 | Very low | 25.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -74.1 | 143.8 | -178.8 | -44.6 | -36.2 | 0 | 0 | 0 | 109.2 | ||||
| 306 | D | 26.4 | Very low | 25.6 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -122.2 | 169 | 141.3 | -84.8 | -46.6 | 0 | 0 | 0 | 108.7 | ||||
| 307 | E | 26.8 | Very low | 25.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -67 | 139.2 | -157.6 | -66.5 | 167.6 | 144.2 | 0 | 0 | 113.6 | ||||
| 308 | Q | 23.2 | Very low | 25.9 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | 34.3 | 109.4 | 101.7 | -55.5 | -174.6 | 3.3 | 0 | 0 | 112.4 | |||||
| 309 | D | 26.6 | Very low | 25.9 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | -167 | 160.5 | 78.6 | -126.7 | -15 | 0 | 0 | 0 | 115 | |||||
| 310 | K | 26.6 | Very low | 26 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 73% | 0.726 | 75% | 0.753 | S | S | * | * | trans | 32 | 140.6 | 141.1 | -68.3 | 165.8 | -171 | 86.9 | 0 | 119.8 | ||||
| 311 | V | 25.7 | Very low | 25.9 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | cis | -175.5 | 150 | 7.1 | 116.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 312 | V | 27.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | -168.2 | 114.4 | 76.7 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 313 | S | 27 | Very low | 26.2 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | 64.1 | 170.2 | 149.2 | 91.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 314 | F | 26.6 | Very low | 26.2 | Very low | 179 Ų | 179 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -143.1 | 162.5 | -5 | -117.9 | -46.1 | 0 | 0 | 0 | 110.8 | ||||
| 315 | L | 25 | Very low | 26 | Very low | 137 Ų | 137 | 144 Ų | 144 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -27.1 | 157.8 | 165.9 | -62.6 | 162.1 | 0 | 0 | 0 | 117.1 | ||||
| 316 | N | 28 | Very low | 26.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -161.6 | 159 | 24.5 | -138.6 | -9.6 | 0 | 0 | 0 | 115.5 | ||||
| 317 | Y | 23.8 | Very low | 26.2 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -81.3 | 164.6 | 153.6 | -103.4 | -90.8 | 0 | 0 | 0 | 109.1 | ||||
| 318 | P | 32.5 | Very low | 26 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -151 | 147.7 | 93.9 | 37.5 | -19 | 0 | 0 | 0 | 116.9 | |||||
| 319 | T | 23.6 | Very low | 26.2 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -84.1 | 143.2 | 149.4 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | S | 27.4 | Very low | 26.2 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -151 | 112.7 | 162.3 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 321 | S | 22.6 | Very low | 26.2 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -77.5 | 145 | 164.3 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 322 | I | 27.9 | Very low | 26.3 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -148.3 | 148.1 | 156.1 | -103 | 147.3 | 0 | 0 | 0 | 111.4 | ||||
| 323 | V | 27.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -58.6 | 154.7 | -171.7 | -172.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 324 | S | 22.8 | Very low | 26.3 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 157 | 172.2 | -37.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 325 | Y | 26.1 | Very low | 26.3 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | -171.6 | 164.5 | 118.2 | -114.3 | -77.3 | 0 | 0 | 0 | 112.1 | |||||
| 326 | D | 24.3 | Very low | 26.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | -65 | 164.7 | -175.1 | -51.3 | -85.9 | 0 | 0 | 0 | 114.2 | ||||
| 327 | H | 27.9 | Very low | 26.4 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | -171.5 | 175 | 56.9 | -130.1 | -2.3 | 0 | 0 | 0 | 115 | |||||
| 328 | L | 24.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 138 Ų | 138 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -26.8 | 159.1 | 162.9 | -58.9 | 166.8 | 0 | 0 | 0 | 117.2 | ||||
| 329 | T | 26.5 | Very low | 26.4 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -166.9 | 160.9 | 22 | -9.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 330 | T | 25.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | 12.1 | 148.9 | 144.6 | 53.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 331 | T | 27.8 | Very low | 27 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -169.3 | 160.5 | 19.4 | 2.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 332 | L | 27 | Very low | 27.3 | Very low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 64.1 | 113.1 | 144.7 | -67.3 | 161.3 | 0 | 0 | 0 | 124.1 | ||||
| 333 | L | 26.6 | Very low | 27.3 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | 79.4 | 137.6 | 129.3 | -68.9 | 174.8 | 0 | 0 | 0 | 125.4 | |||||
| 334 | N | 28.6 | Very low | 27.4 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 79.4 | 97.8 | 143.7 | -68.3 | -11.1 | 0 | 0 | 0 | 123.6 | ||||
| 335 | H | 26.1 | Very low | 27.6 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 62.4 | 100.9 | 120.5 | -93.4 | -78.5 | 0 | 0 | 0 | 123.2 | |||||
| 336 | T | 27.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | 45.6 | 118.6 | 123.8 | 60.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 337 | S | 26.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -162.5 | 175.7 | 147.4 | 56.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 338 | W | 26.3 | Very low | 27.7 | Very low | 218 Ų | 218 | 130.4 Ų | 130.4 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | -159.4 | 118.3 | -81.6 | -146.3 | 58.1 | 0 | 0 | 0 | 112.8 | |||||
| 339 | I | 30.5 | Very low | 27.9 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | -159.3 | 131.8 | 169.8 | -98.5 | 145.9 | 0 | 0 | 0 | 108.6 | ||||
| 340 | H | 32.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 59% | 0.593 | 73% | 0.727 | S | S | * | * | cis | -177.3 | 170.2 | -14.7 | -98.3 | -6.6 | 0 | 0 | 0 | 105.8 | ||||
| 341 | K | 31.3 | Very low | 28.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 61% | 0.609 | 73% | 0.732 | S | S | * | * | cis | -173.5 | 169.8 | -12.2 | -101.9 | -178.7 | 151.1 | -72 | 0 | 105.5 | ||||
| 342 | D | 29.7 | Very low | 28.1 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | cis | -153.2 | 169.2 | -2.7 | -101.3 | -21.7 | 0 | 0 | 0 | 106.5 | ||||
| 343 | E | 26.7 | Very low | 28.1 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | 70.2 | 143 | 43 | -80.2 | -109.1 | -114.1 | 0 | 0 | 114.5 | ||||
| 344 | T | 29.9 | Very low | 28.3 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | -120 | -130.1 | 13.2 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 345 | S | 26.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | -161.7 | -156.2 | -166.4 | 66 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 346 | S | 25.9 | Very low | 28.4 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 92.2 | 150.8 | 161 | 82.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 347 | S | 27.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -174 | 147.6 | -19.4 | 50.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 348 | S | 28 | Very low | 28.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 66.3 | 146.6 | 153.7 | 77.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 349 | S | 28.8 | Very low | 28.7 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | -171.5 | 149.7 | 58.3 | -84.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 350 | F | 25.1 | Very low | 28.7 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | 55 | 115.3 | 147.9 | -91.6 | -89.6 | 0 | 0 | 0 | 124.9 | ||||
| 351 | K | 30.6 | Very low | 28.4 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | -179 | 140.1 | 98.8 | -108 | 171.3 | -177.7 | 164.4 | 0 | 117.7 | |||||
| 352 | R | 28.2 | Very low | 28.2 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | 80.2 | 142.7 | 156.5 | -76.4 | -172.5 | 168.2 | 127.8 | -1.5 | 121.2 | ||||
| 353 | N | 27.9 | Very low | 28 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -124.9 | 163 | -163.6 | -44.3 | -26.7 | 0 | 0 | 0 | 111.8 | ||||
| 354 | Q | 29.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 166.1 | 113.4 | 125.8 | -93 | 174.8 | -14.4 | 0 | 0 | 109.7 | |||||
| 355 | S | 29.3 | Very low | 27.9 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | 75.3 | 140 | 80.5 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 356 | L | 28.3 | Very low | 27.8 | Very low | 156 Ų | 156 | 158 Ų | 158 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | cis | -162.9 | 173.2 | 5.9 | -154 | 71.7 | 0 | 0 | 0 | 112.1 | ||||
| 357 | S | 30.2 | Very low | 28 | Very low | 98 Ų | 98 | 162 Ų | 162 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | 61.5 | 107.7 | 144.9 | 59.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 358 | T | 27.5 | Very low | 28 | Very low | 133 Ų | 133 | 164.3 Ų | 164.3 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -17.4 | 140.2 | 143 | 52.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 359 | L | 28 | Very low | 27.9 | Very low | 176 Ų | 176 | 167 Ų | 167 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | -170.6 | 168.5 | 120.7 | -109.5 | 166.8 | 0 | 0 | 0 | 113 | |||||
| 360 | K | 30.7 | Very low | 27.8 | Very low | 195 Ų | 195 | 169 Ų | 169 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -99.2 | 133.2 | -178.9 | -66.5 | 176.9 | 178.4 | 175.6 | 0 | 111.9 | ||||
| 361 | Q | 26.8 | Very low | 28 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | 175.1 | 162 | 127.3 | -97.8 | -176.5 | 35.6 | 0 | 0 | 115.1 | |||||
| 362 | S | 27.1 | Very low | 27.7 | Very low | 95 Ų | 95 | 166 Ų | 166 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | trans | 18.6 | 135.4 | 158.4 | 60.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 363 | R | 26.1 | Very low | 27.6 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | 50.4 | 136.1 | 138.7 | -72.8 | -177.9 | 172.6 | 164.1 | -0.6 | 121.7 | ||||
| 364 | L | 24.7 | Very low | 27.6 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 57.8 | 82.7 | 152 | -85.7 | 143.3 | 0 | 0 | 0 | 117.7 | R366 | L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.91Å | ||
| 365 | K | 28.3 | Very low | 27.3 | Very low | 220 Ų | 220 | 160 Ų | 160 | 96% | 0.957 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 82.2 | 159.1 | -87.3 | -168.6 | 173.8 | -178.5 | 0 | 112 | ||||
| 366 | R | 26.3 | Very low | 27.2 | Very low | 222 Ų | 222 | 160.2 Ų | 160.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -152 | 78.9 | 149.9 | -153.1 | -171.4 | -61.8 | -175 | 2.8 | 113.3 | L364 | L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.91Å |
| 367 | K | 28.4 | Very low | 27.3 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 56.2 | 116.6 | 160.3 | -55.6 | -173.5 | 175 | -167.8 | 0 | 117.1 | ||||
| 368 | I | 28 | Very low | 27 | Very low | 147 Ų | 147 | 162 Ų | 162 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 176.1 | 120.1 | 105.8 | -85.6 | 151.8 | 0 | 0 | 0 | 106.7 | |||||
| 369 | D | 25.2 | Very low | 27 | Very low | 165 Ų | 165 | 163.7 Ų | 163.7 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -114.1 | 94.1 | 152.4 | -71.2 | -55.9 | 0 | 0 | 0 | 105.5 | ||||
| 370 | D | 28.2 | Very low | 27 | Very low | 142 Ų | 142 | 159 Ų | 159 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | -177.6 | 149.4 | 121.5 | -99.6 | -29.6 | 0 | 0 | 0 | 110.2 | |||||
| 371 | P | 28.7 | Very low | 26.8 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 150 | -170.1 | 35.3 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 372 | Y | 23.3 | Very low | 26.8 | Very low | 210 Ų | 210 | 158.8 Ų | 158.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 61.3 | 103.9 | 171.4 | -67.9 | -79.3 | 0 | 0 | 0 | 118.2 | ||||
| 373 | S | 26.8 | Very low | 26.7 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | S | Bend | -97 | 125.9 | 111.1 | 62.2 | 0 | 0 | 0 | 0 | 109 | |||
| 374 | S | 27.1 | Very low | 26.9 | Very low | 86 Ų | 86 | 155.3 Ų | 155.3 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | trans | -11.4 | 119.9 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 375 | Y | 23.5 | Very low | 27 | Very low | 227 Ų | 227 | 152.1 Ų | 152.1 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -76 | 118.6 | 138.5 | -113.6 | -78.9 | 0 | 0 | 0 | 107.6 | ||||
| 376 | T | 28 | Very low | 26.8 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | trans | -104.9 | 127.1 | 167.2 | 15.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 377 | I | 31 | Very low | 26.7 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 73.6 | 121.3 | 151.9 | -59 | 166.5 | 0 | 0 | 0 | 116.5 | H379 | I377-H379 WeakPolarHBondContact CG2-O 3.42Š| ||
| 378 | N | 23.9 | Very low | 26.5 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -97.1 | 153.9 | 160 | -154 | 2.4 | 0 | 0 | 0 | 108.2 | ||
| 379 | H | 27.6 | Very low | 26.4 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | 68.4 | 140 | -170.2 | -51.6 | -90.1 | 0 | 0 | 0 | 115.7 | I377 | I377-H379 WeakPolarHBondContact CG2-O 3.42Š| ||
| 380 | G | 26.4 | Very low | 26.3 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 144.1 | 61 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R382 | G380-R382 PolarHBondContact O-N 3.2Š| ||
| 381 | T | 26.5 | Very low | 26.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -56.7 | 97.7 | 176.4 | 37.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 382 | R | 27.2 | Very low | 26.1 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -165.4 | 102.1 | 144.8 | -110.3 | 158.8 | -172.6 | 171.6 | 2.2 | 115.5 | G380 | G380-R382 PolarHBondContact O-N 3.2Š| ||
| 383 | N | 26 | Very low | 26.3 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -17.6 | 128.4 | 131.8 | -93.5 | -21.6 | 0 | 0 | 0 | 115.2 | ||||
| 384 | P | 29.2 | Very low | 26.4 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | -72.3 | 99.1 | 110.1 | 31.9 | -27 | 0 | 0 | 0 | 107.8 | |||||
| 385 | C | 26.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | 69 | 86 | 93.9 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | Q387 | C385-Q387 PolarHBondContact O-N 2.74Š| |||
| 386 | R | 25.8 | Very low | 26.6 | Very low | 226 Ų | 226 | 143.1 Ų | 143.1 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -59.3 | 110.7 | 130.9 | -97.3 | -177.8 | 165.9 | -178.2 | -4.1 | 107.4 | ||||
| 387 | Q | 23.5 | Very low | 26.7 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -119.9 | 119.3 | 144.7 | -87.6 | -175.5 | -28.8 | 0 | 0 | 105.5 | C385 | C385-Q387 PolarHBondContact O-N 2.74Š| ||
| 388 | L | 23.4 | Very low | 26.7 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | 65 | 124.7 | 16.6 | -139 | 175.2 | 0 | 0 | 0 | 112.3 | ||||
| 389 | S | 26.4 | Very low | 26.9 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 50% | 0.503 | 75% | 0.746 | S | S | . | * | trans | 55.2 | 111.6 | 172.7 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | M391 | S389-M391 VanDerWaalsContact C-N 3.29Å; S389-M391 PolarHBondContact O-N 2.89Å | ||
| 390 | N | 23.3 | Very low | 27 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | trans | -55.6 | 101.7 | 133.3 | -82.2 | -12.4 | 0 | 0 | 0 | 107.6 | ||||
| 391 | M | 25.9 | Very low | 27.2 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -137.3 | 93.9 | 160.4 | -85.1 | -114.4 | -78.2 | 0 | 0 | 108.8 | S389 | S389-M391 VanDerWaalsContact C-N 3.29Å; S389-M391 PolarHBondContact O-N 2.89Å | ||
| 392 | N | 26.3 | Very low | 27.3 | Very low | 134 Ų | 134 | 144 Ų | 144 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | -51.2 | 145.7 | 136.3 | -73.8 | -39.8 | 0 | 0 | 0 | 107.9 | ||||
| 393 | Q | 29 | Very low | 27.5 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 64% | 0.64 | 72% | 0.721 | S | S | * | * | cis | -169.1 | 151.3 | 0.9 | -119.2 | 168.4 | 28.5 | 0 | 0 | 108.2 | ||||
| 394 | N | 28.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | trans | 65.1 | 159.3 | 147.9 | -58.4 | -15.6 | 0 | 0 | 0 | 117.9 | ||||
| 395 | F | 24.9 | Very low | 27.9 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | cis | -156.1 | -154.6 | -36.8 | -135.2 | -89.2 | 0 | 0 | 0 | 106.3 | ||||
| 396 | I | 29.6 | Very low | 28.3 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | 76.8 | 97.4 | 173.8 | -52.8 | -179.7 | 0 | 0 | 0 | 111.8 | ||||
| 397 | Q | 29.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | 78.3 | 152.5 | 76.1 | -69.4 | 163.2 | -46.4 | 0 | 0 | 112.4 | |||||
| 398 | E | 30.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | cis | -143.7 | 157.8 | 19.4 | -156.8 | 172.6 | -106.3 | 0 | 0 | 112 | ||||
| 399 | G | 29.4 | Very low | 29.4 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -162.6 | -23.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 400 | K | 29 | Very low | 29.7 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | trans | 63.5 | 121.8 | 174.6 | -45.9 | 172.3 | -176.8 | 173.2 | 0 | 113.5 | ||||
| 401 | H | 30.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | cis | -164.1 | 167.5 | 48.3 | -77.2 | -86.5 | 0 | 0 | 0 | 108.3 | ||||
| 402 | C | 29.5 | Very low | 29.8 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | -165.1 | 165.8 | -6.2 | -118.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 403 | I | 30.9 | Very low | 29.8 | Very low | 139 Ų | 139 | 140 Ų | 140 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 60.5 | 115.3 | 142.5 | -62.8 | 162.8 | 0 | 0 | 0 | 119.7 | ||||
| 404 | T | 33 | Very low | 29.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 61.9 | 151.5 | 161.2 | 56.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 405 | D | 30.5 | Very low | 29.6 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -176.5 | 179 | -41.1 | -114.8 | -66.9 | 0 | 0 | 0 | 107.2 | ||||
| 406 | T | 33.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | cis | -152.2 | 161.3 | 5 | -7.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 407 | T | 34.3 | Very low | 29.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | 65.5 | 151.8 | 166.6 | 66.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 408 | N | 32.2 | Very low | 29.6 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | cis | -146.8 | -179.2 | 0.7 | -129.2 | -19.2 | 0 | 0 | 0 | 113.5 | ||||
| 409 | K | 29.8 | Very low | 29.5 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -124 | -168.6 | -166.8 | -92.5 | -177.7 | 179.7 | 178.5 | 0 | 112 | ||||
| 410 | P | 34.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | -142.2 | 173.5 | -50.1 | 42.3 | -25.3 | 0 | 0 | 0 | 116.8 | |||||
| 411 | Y | 26 | Very low | 29.4 | Very low | 214 Ų | 214 | 138.5 Ų | 138.5 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | 37.9 | 127.1 | 137.7 | -79.2 | -108.5 | 0 | 0 | 0 | 126 | ||||
| 412 | T | 24.7 | Very low | 29.3 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | 28.7 | 152.2 | 129 | 67.2 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 413 | L | 26.5 | Very low | 29 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -169 | 144.8 | 137.4 | -90.4 | 141.1 | 0 | 0 | 0 | 112.6 | ||||
| 414 | H | 28.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 52.6 | 127 | 157 | -71.4 | -114.9 | 0 | 0 | 0 | 120.8 | ||||
| 415 | T | 24.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | 76.9 | 117.1 | 46.2 | 71.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 416 | T | 28.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | 173.1 | 132.7 | 122.8 | 30.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 417 | H | 26.3 | Very low | 28.3 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 36.7 | 141.4 | 138.3 | -93.3 | -86.4 | 0 | 0 | 0 | 126.2 | ||||
| 418 | N | 29.3 | Very low | 27.9 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 95.5 | 130.3 | 137.7 | -70.6 | -17.2 | 0 | 0 | 0 | 122.8 | ||||
| 419 | G | 28.1 | Very low | 27.5 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 88.9 | 155.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 420 | L | 27.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | cis | -179.2 | 136.1 | -27.2 | -121.8 | 167.6 | 0 | 0 | 0 | 106.7 | ||||
| 421 | Q | 28.8 | Very low | 26.9 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 59.7 | 175.3 | 161.1 | -77.5 | 162.5 | -21.5 | 0 | 0 | 118.1 | ||||
| 422 | S | 27.2 | Very low | 26.9 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | -170.3 | 114.9 | -56.9 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 423 | I | 25.1 | Very low | 27.1 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 58.1 | -173.3 | 156.3 | -16.9 | -177.1 | 0 | 0 | 0 | 116.1 | ||||
| 424 | P | 37.3 | Very low | 27.2 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | -118.4 | -151.9 | -113.1 | 42.9 | -25.6 | 0 | 0 | 0 | 115.7 | |||||
| 425 | E | 27.2 | Very low | 27 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | 77.1 | 170.7 | 176.2 | -64.5 | -176.5 | 177.3 | 0 | 0 | 116.7 | ||||
| 426 | S | 24.6 | Very low | 27.4 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | -177.1 | 150.3 | -73.5 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 427 | Y | 23.8 | Very low | 27.3 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | 62 | 160 | -173.5 | -56.2 | -89.1 | 0 | 0 | 0 | 112.7 | I429 | Y427-I429 HydrophobicContact CD1-CD1 3.72Å; Y427-I429 HydrophobicContact CD1-CG1 4.33Å; Y427-I429 HydrophobicContact CE1-CD1 4.37Å | ||
| 428 | F | 26 | Very low | 27.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | cis | -121.6 | 152.6 | 14.9 | -90.2 | -115.6 | 0 | 0 | 0 | 110.1 | ||||
| 429 | I | 24.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 52% | 0.523 | 72% | 0.716 | S | S | . | * | cis | 82.1 | 118.6 | 47.7 | -68.1 | 174.4 | 0 | 0 | 0 | 113.3 | Y427 | Y427-I429 HydrophobicContact CD1-CD1 3.72Å; Y427-I429 HydrophobicContact CD1-CG1 4.33Å; Y427-I429 HydrophobicContact CE1-CD1 4.37Å | ||
| 430 | D | 22.5 | Very low | 27 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | 63.7 | 151.8 | 160 | -62.6 | -8.8 | 0 | 0 | 0 | 117.7 | ||||
| 431 | F | 27.9 | Very low | 26.9 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 79% | 0.789 | 71% | 0.71 | S | S | * | * | cis | -141.4 | 144.4 | 46.4 | -95.3 | -100.8 | 0 | 0 | 0 | 116.5 | ||||
| 432 | T | 26.5 | Very low | 27 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 54% | 0.54 | 71% | 0.707 | S | S | . | * | trans | 22.6 | 122.1 | 143.6 | 59.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 433 | H | 29.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | -174.2 | 153.1 | 78 | -81.1 | -67.5 | 0 | 0 | 0 | 109.9 | |||||
| 434 | D | 28.1 | Very low | 26.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | cis | -160.5 | -168.1 | -15.5 | -140 | -65 | 0 | 0 | 0 | 111.5 | ||||
| 435 | H | 23.8 | Very low | 26.2 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | trans | -94 | -177.1 | 176.5 | -106.7 | -131.4 | 0 | 0 | 0 | 111.9 | ||||
| 436 | P | 34 | Very low | 26.5 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | cis | -140.9 | -158.6 | -42.1 | 35.3 | -14.1 | 0 | 0 | 0 | 113.4 | ||||
| 437 | L | 26.3 | Very low | 26.8 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | 87.2 | 134.6 | 153.9 | -67.3 | 156.5 | 0 | 0 | 0 | 120.2 | ||||
| 438 | N | 23.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | 38.3 | 140.1 | 128.4 | -59.2 | 1.8 | 0 | 0 | 0 | 119.7 | |||||
| 439 | Q | 28.6 | Very low | 27.1 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | cis | -162.8 | 177.8 | 31.7 | -133.1 | 156.5 | -3.2 | 0 | 0 | 113.2 | ||||
| 440 | S | 25.1 | Very low | 27.1 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 57% | 0.573 | 70% | 0.702 | S | S | * | * | trans | -29.1 | 160.3 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 441 | D | 25.2 | Very low | 27.6 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | cis | -169.4 | -168.2 | -5.3 | -100.8 | -32.9 | 0 | 0 | 0 | 109.1 | ||||
| 442 | H | 30.3 | Very low | 27.5 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | 74.5 | 132.4 | 170.4 | -73.2 | -94.7 | 0 | 0 | 0 | 115.7 | ||||
| 443 | L | 26.3 | Very low | 27.5 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | 62.4 | 142.9 | 62.3 | -81.6 | 84.9 | 0 | 0 | 0 | 113.3 | |||||
| 444 | C | 23.5 | Very low | 27.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | cis | -171.2 | 165.7 | -25.7 | -154.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 445 | I | 24.2 | Very low | 27.2 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | trans | 59.3 | 116.6 | 163.3 | -50.7 | 172.3 | 0 | 0 | 0 | 116.9 | ||||
| 446 | K | 32.4 | Very low | 27.5 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | -173.9 | 119.5 | 118.8 | -96.8 | -173.2 | 179.8 | -81.1 | 0 | 107.3 | |||||
| 447 | E | 30.5 | Very low | 27.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 57% | 0.57 | 72% | 0.721 | S | S | * | * | 83.6 | 132.6 | 77 | -79.6 | -179.5 | 176.6 | 0 | 0 | 113.5 | |||||
| 448 | I | 26.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 67% | 0.672 | 72% | 0.722 | S | S | * | * | 57.6 | 128.9 | 127.4 | -60.9 | 171.7 | 0 | 0 | 0 | 117.5 | |||||
| 449 | E | 29.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -155.9 | 142.5 | 0.8 | -117.5 | 171.6 | -168.9 | 0 | 0 | 110.6 | ||||
| 450 | Q | 25.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | 28.6 | 118 | 111.2 | -57.2 | -164.8 | 32.3 | 0 | 0 | 120.2 | I452 | Q450-I452 HydrophobicContact CG-CD1 4.32Š| |||
| 451 | K | 31.6 | Very low | 28 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | -169.8 | 119.3 | 127.4 | -97.6 | 146.8 | -174 | 168.5 | 0 | 106.4 | |||||
| 452 | I | 25.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | cis | 64.3 | 85.8 | 14 | -51.5 | 178.9 | 0 | 0 | 0 | 114.2 | Q450 | Q450-I452 HydrophobicContact CG-CD1 4.32Š| ||
| 453 | K | 26.9 | Very low | 28.1 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 81% | 0.809 | 71% | 0.711 | S | S | * | * | -177.5 | 148.5 | 118.3 | -97.7 | 148.6 | -176.9 | 176.4 | 0 | 109.5 | |||||
| 454 | C | 24.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | cis | 75.3 | 95.2 | 17 | -46.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 455 | S | 26.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -159.4 | 137.7 | 154.8 | 49.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 456 | L | 30.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | 62.6 | 134 | 54.2 | -82.3 | 81.2 | 0 | 0 | 0 | 113.9 | |||||
| 457 | P | 36.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | -115.9 | 135.5 | 118.8 | -4.9 | 25.4 | 0 | 0 | 0 | 111.3 | |||||
| 458 | C | 26.7 | Very low | 28.1 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | 83.2 | 151.5 | 80.7 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 459 | C | 27.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 131 Ų | 131 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | cis | -151.1 | 154.1 | 32.2 | -71.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 460 | L | 29.5 | Very low | 28.1 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | 55.3 | 150.1 | 139.7 | -60.5 | 167.4 | 0 | 0 | 0 | 121.4 | ||||
| 461 | S | 27.3 | Very low | 28.8 | Very low | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 70% | 0.701 | S | S | . | * | cis | -176.1 | 155.9 | -19.7 | 47.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 462 | Y | 28.2 | Very low | 28.5 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | 78.4 | 156.9 | 172.8 | -56.9 | -78.7 | 0 | 0 | 0 | 118.2 | ||||
| 463 | S | 28.7 | Very low | 28.5 | Very low | 63 Ų | 63 | 126.4 Ų | 126.4 | 44% | 0.441 | 70% | 0.699 | S | S | . | * | cis | 180 | 150.7 | -26 | 59.6 | 0 | 0 | 0 | 0 | 115.6 | S489 H490 | S463-S489 CarbonylContact C-O 2.96Å; S463-S489 VanDerWaalsContact CA-O 3.3Å; S463-S489 WeakPolarHBondContact CA-O 3.31Å; S463-S489 PolarHBondContact N-O 2.93Å; S463-H490 CarbonylContact C-O 3.32Å | ||
| 464 | N | 29.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | trans | 67.1 | 178.8 | 156.6 | -75.4 | 96.6 | 0 | 0 | 0 | 118.4 | S489 H490 R491 | N464-S489 PolarHBondContact N-O 3.46Å; N464-S489 CarbonylContact O-C 3.58Å; N464-H490 WeakPolarHBondContact CA-O 3.33Å; N464-H490 PolarHBondContact N-O 2.92Å; N464-H490 CarbonylContact O-C 3.55Å; N464-H490 PolarHBondContact O-N 3.5Å; N464-R491 PolarHBondContact O-N 2.66Å | ||
| 465 | E | 27.2 | Very low | 28.4 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 41% | 0.407 | 69% | 0.689 | S | S | . | * | -149.4 | 169.6 | -61.9 | -126.2 | -54.5 | 70.4 | 0 | 0 | 113.7 | R491 S492 | E465-R491 WeakPolarHBondContact OE1-CA 3.38Å; E465-S492 PolarHBondContact OE1-N 3.26Å | |||
| 466 | M | 27.1 | Very low | 28.4 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | 69.8 | 139.7 | 152.7 | -72.8 | -164.1 | -176.1 | 0 | 0 | 123.2 | I493 | M466-I493 HydrophobicContact CE-CD1 3.86Å; M466-I493 HydrophobicContact CE-CG1 4.48Å | ||
| 467 | A | 28 | Very low | 28.2 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | trans | 74.1 | 106.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 468 | Y | 26.4 | Very low | 27.8 | Very low | 215 Ų | 215 | 125 Ų | 125 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | 60 | 121.2 | 128.7 | -81.1 | -90.1 | 0 | 0 | 0 | 125.1 | |||||
| 469 | N | 27 | Very low | 27.8 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | 72.1 | 107.4 | 137.5 | -73.2 | 12.6 | 0 | 0 | 0 | 125.6 | ||||
| 470 | T | 29.2 | Very low | 27.8 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | -35.7 | 173.1 | 129.5 | 45.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 471 | P | 38.4 | Very low | 27.6 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | cis | -143.7 | -170.2 | -25.9 | 38.6 | -18.7 | 0 | 0 | 0 | 115.6 | ||||
| 472 | M | 25.6 | Very low | 27.7 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | 80.1 | 134.5 | 152.8 | -79.3 | -61.2 | -155 | 0 | 0 | 121.9 | ||||
| 473 | N | 25.7 | Very low | 27.8 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 57% | 0.572 | 68% | 0.682 | S | S | * | * | trans | 23 | 115.5 | 164.1 | -72.2 | 19.7 | 0 | 0 | 0 | 122.5 | ||||
| 474 | C | 23.8 | Very low | 27.8 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 57% | 0.568 | 70% | 0.698 | S | S | * | * | 56.6 | 111.5 | 128.4 | -59.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 475 | I | 27.1 | Very low | 27.7 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | -163.8 | 146.5 | 109.7 | -99.2 | 157.7 | 0 | 0 | 0 | 109.9 | |||||
| 476 | E | 25.2 | Very low | 27.8 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | trans | 10.4 | 123.1 | 159.5 | -53.3 | 167.8 | -174.9 | 0 | 0 | 118.1 | ||||
| 477 | T | 27.2 | Very low | 27.9 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | -173 | 167.1 | 62.7 | 28.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 478 | P | 29.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -104.3 | 174.3 | -166 | 39.9 | -36.5 | 0 | 0 | 0 | 116.3 | ||||
| 479 | S | 26.1 | Very low | 27.8 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | 82.5 | 147.6 | 155.9 | 93.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 480 | I | 27.1 | Very low | 27.8 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | -159.5 | 144 | -10.4 | -126.2 | 171.8 | 0 | 0 | 0 | 110.1 | ||||
| 481 | I | 26.4 | Very low | 27.8 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | trans | 45.9 | 121.2 | 151.2 | -60.9 | 166.8 | 0 | 0 | 0 | 117.3 | ||||
| 482 | N | 27.9 | Very low | 27.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | -170.7 | 175.6 | 59.5 | -144 | -13.8 | 0 | 0 | 0 | 114.4 | |||||
| 483 | N | 31.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | trans | 65.1 | 105.6 | 162.4 | -63 | -15 | 0 | 0 | 0 | 116.5 | ||||
| 484 | Q | 28.8 | Very low | 28 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | 86 | 122.2 | 75.6 | -83.7 | -172.8 | -6.7 | 0 | 0 | 114.2 | |||||
| 485 | S | 26.6 | Very low | 28.3 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | 34.7 | 136 | 145.6 | 57.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 486 | S | 28.7 | Very low | 28.5 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | 177.8 | 172.6 | 4.9 | 43.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 487 | Y | 30.5 | Very low | 28.8 | Very low | 206 Ų | 206 | 126.5 Ų | 126.5 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | 66.8 | 122.9 | 176.2 | -64.1 | -89.5 | 0 | 0 | 0 | 114.4 | ||||
| 488 | L | 27 | Very low | 28.8 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | 83.5 | 92.5 | 56.6 | -79.6 | 166.8 | 0 | 0 | 0 | 114.9 | |||||
| 489 | S | 25.4 | Very low | 28.7 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 39% | 0.385 | 68% | 0.681 | S | S | . | * | 115.6 | 128.9 | 108.5 | 77.5 | 0 | 0 | 0 | 0 | 120.5 | S463 N464 | S463-S489 CarbonylContact C-O 2.96Å; S463-S489 VanDerWaalsContact CA-O 3.3Å; S463-S489 WeakPolarHBondContact CA-O 3.31Å; S463-S489 PolarHBondContact N-O 2.93Å; N464-S489 PolarHBondContact N-O 3.46Å; N464-S489 CarbonylContact O-C 3.58Å | |||
| 490 | H | 26.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 134 Ų | 134 | 64% | 0.644 | 68% | 0.678 | S | S | * | * | trans | 69.3 | 98.8 | 144 | -74.3 | -52.6 | 0 | 0 | 0 | 121.6 | S463 N464 | S463-H490 CarbonylContact C-O 3.32Å; N464-H490 WeakPolarHBondContact CA-O 3.33Å; N464-H490 PolarHBondContact N-O 2.92Å; N464-H490 CarbonylContact O-C 3.55Å; N464-H490 PolarHBondContact O-N 3.5Å | ||
| 491 | R | 28.3 | Very low | 29 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | 70.7 | 154.9 | 118.8 | -80.8 | -172.8 | 170.8 | -166.3 | -2.5 | 120.2 | N464 E465 | N464-R491 PolarHBondContact O-N 2.66Å; E465-R491 WeakPolarHBondContact OE1-CA 3.38Å | |||
| 492 | S | 29.2 | Very low | 29.1 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | trans | 103 | 118.6 | 148.6 | -36.6 | 0 | 0 | 0 | 0 | 116.8 | E465 | E465-S492 PolarHBondContact OE1-N 3.26Š| ||
| 493 | I | 29.9 | Very low | 29.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | trans | -131.2 | 120.2 | 131.6 | -65.7 | -172.9 | 0 | 0 | 0 | 108.3 | M466 | M466-I493 HydrophobicContact CE-CD1 3.86Å; M466-I493 HydrophobicContact CE-CG1 4.48Å | ||
| 494 | P | 35.2 | Very low | 29.1 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | -105 | 179.1 | 169.1 | 40.4 | -33 | 0 | 0 | 0 | 112.1 | ||||
| 495 | L | 30.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | trans | -146.9 | 79.6 | 157.3 | -85.9 | -178.4 | 0 | 0 | 0 | 110.9 | ||||
| 496 | D | 31.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | 10.3 | 151.9 | 115.8 | -53.4 | 18.6 | 0 | 0 | 0 | 118.7 | |||||
| 497 | D | 31.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | cis | -172.2 | 169 | -30.6 | -147.9 | -15.7 | 0 | 0 | 0 | 109.8 | ||||
| 498 | W | 27 | Very low | 28.5 | Very low | 224 Ų | 224 | 137.5 Ų | 137.5 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | 58.8 | 158.4 | 146.6 | -73.7 | -9.8 | 0 | 0 | 0 | 123.6 | ||||
| 499 | D | 27.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | cis | -177.1 | 176.6 | -21.2 | 179.1 | 33.8 | 0 | 0 | 0 | 109.7 | ||||
| 500 | K | 29.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 124.4 | 99.3 | 139.2 | -70 | -176.9 | 179.6 | 169.7 | 0 | 122.7 | ||||
| 501 | T | 27.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | 64.6 | 170.7 | 125.1 | 63.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 502 | I | 28.7 | Very low | 28.2 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | cis | -149.1 | 136.8 | 26.4 | -64.9 | 169.5 | 0 | 0 | 0 | 112.5 | K504 | I502-K504 HydrophobicContact CG2-CG 4.09Š| ||
| 503 | E | 28.6 | Very low | 28.1 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | -163.7 | 104.7 | 127.7 | -105.6 | -175.5 | 173.8 | 0 | 0 | 108.7 | |||||
| 504 | K | 30.6 | Very low | 27.9 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 62.1 | 130.1 | 96.2 | -68.7 | 178.1 | -175.1 | 167.3 | 0 | 113.7 | I502 | I502-K504 HydrophobicContact CG2-CG 4.09Š| |||
| 505 | S | 25.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -142.1 | 146.7 | 18 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 506 | T | 24.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -98 | 160.7 | 170.3 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 507 | F | 27.3 | Very low | 26.9 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | -177 | 163.1 | 114.3 | -107.8 | -75.5 | 0 | 0 | 0 | 113.1 | |||||
| 508 | N | 24.7 | Very low | 26.8 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -93 | 160.1 | -172 | -48.8 | -31.2 | 0 | 0 | 0 | 112.7 | ||||
| 509 | Y | 27.3 | Very low | 26.7 | Very low | 228 Ų | 228 | 143 Ų | 143 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -163.2 | 141.2 | 133.1 | -115.1 | -74.9 | 0 | 0 | 0 | 111.1 | ||||
| 510 | D | 23.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -78.2 | 144.1 | 159.9 | -76.1 | -60.1 | 0 | 0 | 0 | 110.1 | ||||
| 511 | I | 27.9 | Very low | 26.7 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | 168.9 | 143.5 | 140.2 | -90.5 | 156.3 | 0 | 0 | 0 | 109.3 | ||||
| 512 | S | 23.4 | Very low | 26.7 | Very low | 96 Ų | 96 | 145 Ų | 145 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -104.1 | 157.9 | -173.6 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 513 | S | 26.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 106.1 | 140.4 | 62.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 514 | S | 25 | Very low | 26.9 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -165 | 155.1 | 135.1 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 515 | S | 27.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | cis | -108.4 | 148.1 | 5.3 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 516 | M | 23.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | cis | 89.4 | 131.9 | 21.4 | -156 | -161.6 | 179.1 | 0 | 0 | 115.4 | ||||
| 517 | N | 26.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | trans | 73.2 | 98.5 | 168.7 | -52.9 | -41.1 | 0 | 0 | 0 | 119.4 | ||||
| 518 | H | 29.8 | Very low | 27.9 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | 177.1 | 126.6 | 97.9 | -98.9 | -95.6 | 0 | 0 | 0 | 108 | |||||
| 519 | L | 24.4 | Very low | 28 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | 86.2 | 140.7 | 64.5 | -107.1 | 165.4 | 0 | 0 | 0 | 114 | |||||
| 520 | E | 29.8 | Very low | 28.1 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | trans | 70.2 | 147.9 | 171.2 | -60.5 | -157.5 | 141.7 | 0 | 0 | 116.5 | ||||
| 521 | R | 27.8 | Very low | 28.2 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | cis | -159.4 | 125.1 | -8.2 | 167.6 | 178 | -91.2 | 105.3 | 13.3 | 106.2 | ||||
| 522 | I | 26.9 | Very low | 28.1 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | 49.4 | 130.5 | 104.5 | -51.5 | 164.6 | 0 | 0 | 0 | 112.1 | |||||
| 523 | E | 30.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | cis | -125.4 | 139 | 41.6 | -105.9 | 116.2 | -120.2 | 0 | 0 | 113.1 | ||||
| 524 | S | 31.3 | Very low | 28 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | 89.1 | 146.7 | 72.7 | 100.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 525 | A | 33.5 | Very low | 28.2 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | cis | -156 | 149.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 526 | N | 32.6 | Very low | 28.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | 70.4 | 150.2 | 150.7 | -54.4 | 0.2 | 0 | 0 | 0 | 120 | ||||
| 527 | N | 33.9 | Very low | 28.7 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | cis | -163.9 | 157.9 | -15.8 | -98.1 | 16.5 | 0 | 0 | 0 | 105.1 | ||||
| 528 | D | 29.8 | Very low | 28.8 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | cis | -157.8 | 173.6 | -7.8 | -118.4 | -35.7 | 0 | 0 | 0 | 111.2 | ||||
| 529 | Y | 26.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 138 Ų | 138 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | trans | -54.5 | 152 | 171 | -63.7 | -104.9 | 0 | 0 | 0 | 112.5 | I531 | Y529-I531 HydrophobicContact CD1-CD1 3.69Å; Y529-I531 HydrophobicContact CD1-CG1 4.38Å; Y529-I531 HydrophobicContact CE1-CD1 4.36Å; Y529-I531 HydrophobicContact CG-CD1 4.41Å | ||
| 530 | S | 27.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | cis | 65 | 166.6 | 38.5 | 93.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 531 | I | 26.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 64% | 0.641 | 72% | 0.718 | S | S | * | * | trans | 87.1 | 132.7 | 177.4 | -58.9 | 168.8 | 0 | 0 | 0 | 115.6 | Y529 | Y529-I531 HydrophobicContact CD1-CD1 3.69Å; Y529-I531 HydrophobicContact CD1-CG1 4.38Å; Y529-I531 HydrophobicContact CE1-CD1 4.36Å; Y529-I531 HydrophobicContact CG-CD1 4.41Å | ||
| 532 | Y | 25.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | cis | -159.2 | 153.5 | -10.9 | -123.3 | -154 | 0 | 0 | 0 | 113.7 | ||||
| 533 | T | 24.3 | Very low | 28.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | 37.7 | 134.9 | 141.3 | 62.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 534 | T | 24.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | 65.9 | 113.9 | 136.4 | 54.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 535 | H | 28.7 | Very low | 27.8 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | -172.1 | 136.8 | 105.3 | -107.9 | -80.2 | 0 | 0 | 0 | 112.3 | |||||
| 536 | E | 29 | Very low | 27.5 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -95.3 | 151.4 | 159.6 | -73.8 | -168.9 | 137.2 | 0 | 0 | 108.8 | ||||
| 537 | P | 33.5 | Very low | 27 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | -155.3 | -173.3 | 80.6 | 38.5 | -15.9 | 0 | 0 | 0 | 117.5 | |||||
| 538 | L | 27.6 | Very low | 26.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 90.3 | 102 | 158 | -61.4 | 168.8 | 0 | 0 | 0 | 121.4 | ||||
| 539 | N | 25.3 | Very low | 26.3 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | 50.2 | 152.8 | 118.2 | -65.5 | -11.5 | 0 | 0 | 0 | 124.5 | |||||
| 540 | F | 27 | Very low | 26.6 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 83.1 | 91.9 | 163.8 | -67.3 | -77.2 | 0 | 0 | 0 | 119.9 | ||||
| 541 | T | 24.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 41.5 | 159.7 | 108 | 64.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 542 | P | 33.3 | Very low | 26.5 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -147.8 | 172.8 | -37.7 | 43 | -25.6 | 0 | 0 | 0 | 115.7 | ||||
| 543 | S | 23.9 | Very low | 26.6 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | 37.3 | 147.4 | 136.3 | 70.9 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 544 | F | 24.2 | Very low | 26.6 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | 102 | 111.8 | 143.4 | -75.2 | -61.6 | 0 | 0 | 0 | 121.5 | ||||
| 545 | D | 21.9 | Very low | 26.7 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 78.1 | 154.8 | 131.2 | -73.7 | -5.8 | 0 | 0 | 0 | 125.3 | ||||
| 546 | Y | 25.5 | Very low | 26.5 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 81.7 | 113.3 | 170.7 | -83.3 | -80.7 | 0 | 0 | 0 | 121.7 | ||||
| 547 | Y | 24 | Very low | 26.6 | Very low | 216 Ų | 216 | 146 Ų | 146 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -55.3 | 150.4 | 155.5 | -83.4 | -119 | 0 | 0 | 0 | 111.9 | ||||
| 548 | I | 24.7 | Very low | 26.5 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | -176.4 | 146.6 | 110.8 | -96.6 | 164.3 | 0 | 0 | 0 | 112.7 | |||||
| 549 | H | 23.3 | Very low | 26.3 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | -22 | 178.5 | 151.8 | -100.7 | -90.8 | 0 | 0 | 0 | 119.4 | ||||
| 550 | P | 33.6 | Very low | 26.4 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | cis | -142.6 | -162.8 | 5.9 | 36.2 | -12.3 | 0 | 0 | 0 | 116.9 | ||||
| 551 | M | 25.2 | Very low | 26.4 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | 86.3 | 91 | 143.8 | -86.4 | 176 | 167.4 | 0 | 0 | 122.7 | ||||
| 552 | A | 25.5 | Very low | 26.5 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | 54.8 | 131.7 | 104.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 553 | Q | 27.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | trans | 70.4 | 118.2 | 157.2 | -65 | -177.1 | 11.7 | 0 | 0 | 116.8 | Y555 | Q553-Y555 HydrophobicContact CB-CE2 3.95Å; Q553-Y555 PolarHBondContact OE1-OH 3.11Å | ||
| 554 | R | 25.6 | Very low | 26.5 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | 69.4 | 153.1 | 89.6 | -67.4 | -175.9 | -179.5 | -179.1 | 1 | 112.1 | |||||
| 555 | Y | 26.4 | Very low | 26.7 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | -173.9 | 158.1 | 78.5 | -91.2 | -85.9 | 0 | 0 | 0 | 112.1 | Q553 | Q553-Y555 HydrophobicContact CB-CE2 3.95Å; Q553-Y555 PolarHBondContact OE1-OH 3.11Å | |||
| 556 | S | 24.9 | Very low | 26.8 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -117.1 | 147 | 137.2 | 54.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 557 | S | 29.9 | Very low | 26.9 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | cis | -147.6 | 146.9 | 24.2 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 558 | T | 31.3 | Very low | 27.1 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | trans | 14.9 | 145.9 | 139.2 | 60.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 559 | C | 24.8 | Very low | 27.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | cis | -178.9 | 169.5 | 0 | -100.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 560 | S | 26.9 | Very low | 27.4 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -168.3 | 170.3 | -14.5 | -103 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 561 | N | 26 | Very low | 27.1 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 70.9 | 140.9 | 177.5 | -52.2 | 4.7 | 0 | 0 | 0 | 112.7 | ||||
| 562 | D | 28.5 | Very low | 27.4 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | cis | -151.8 | 171.5 | 30.5 | -107.6 | -42.7 | 0 | 0 | 0 | 114 | ||||
| 563 | E | 27.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | 63 | 122.9 | 152.9 | -69.8 | -165.3 | 158.4 | 0 | 0 | 125.4 | ||||
| 564 | Y | 27.9 | Very low | 27.8 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | 78.1 | 168.4 | 131.2 | -84.3 | -106.3 | 0 | 0 | 0 | 125 | ||||
| 565 | H | 30 | Very low | 28 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -38.6 | 147.1 | -169.8 | -62.9 | -37 | 0 | 0 | 0 | 118.1 | ||||
| 566 | N | 24.2 | Very low | 28.1 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | cis | 76.4 | 122.9 | 41.6 | -167.7 | 29.4 | 0 | 0 | 0 | 115.9 | ||||
| 567 | S | 25.7 | Very low | 28.4 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | trans | 81.6 | 153.2 | 153.5 | 78.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 568 | N | 29.5 | Very low | 28.3 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | 79.8 | 115.7 | 153.9 | -62.5 | -31.5 | 0 | 0 | 0 | 117.9 | ||||
| 569 | N | 27.2 | Very low | 28 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | 87.6 | 145.8 | 64.3 | -79.8 | -24.7 | 0 | 0 | 0 | 112.2 | |||||
| 570 | S | 27.2 | Very low | 28 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 56% | 0.559 | 71% | 0.706 | S | S | * | * | cis | -177.6 | 165.6 | -10.3 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 571 | N | 27.7 | Very low | 27.9 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | 74.3 | 148.1 | 162.9 | -48.9 | -31 | 0 | 0 | 0 | 117.4 | ||||
| 572 | G | 30 | Very low | 27.9 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | trans | 173.2 | 18.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 573 | D | 31.1 | Very low | 27.6 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | 63.2 | 137.6 | 152.4 | -94.9 | 28.9 | 0 | 0 | 0 | 124.8 | ||||
| 574 | N | 31.5 | Very low | 27.5 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 53% | 0.529 | 71% | 0.71 | S | S | . | * | trans | 69.4 | 113.7 | 144.6 | -63.6 | -41.4 | 0 | 0 | 0 | 120.5 | ||||
| 575 | K | 30.4 | Very low | 27.6 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | 84 | 143.4 | 75.7 | -79.5 | -177.2 | -167.2 | 118.8 | 0 | 113.6 | |||||
| 576 | S | 28.7 | Very low | 27.6 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | cis | 178 | 170.7 | -7.3 | 51.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 577 | I | 29.6 | Very low | 27.7 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | trans | 74.8 | 139.1 | 148.2 | -78.6 | 163.1 | 0 | 0 | 0 | 116.7 | ||||
| 578 | I | 29 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | cis | -156.7 | -175.3 | -11.8 | -125.5 | 170.2 | 0 | 0 | 0 | 111.6 | ||||
| 579 | S | 24.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | -61.2 | -174.2 | -178 | 76.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 580 | S | 25 | Very low | 27.1 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | -171.8 | 155.3 | 2.9 | 22.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 581 | T | 24.7 | Very low | 27 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 63.9 | 148.6 | 147.7 | 48.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 582 | F | 24.8 | Very low | 26.9 | Very low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.772 | 72% | 0.716 | S | S | * | * | trans | 85.8 | 122.7 | 147.3 | -90 | -60.5 | 0 | 0 | 0 | 123 | ||||
| 583 | H | 23.5 | Very low | 26.7 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | 70 | 147.4 | 141.4 | -95.9 | -50.8 | 0 | 0 | 0 | 123.7 | ||||
| 584 | Q | 25.4 | Very low | 26.6 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | 79.5 | 113 | 147.3 | -78.7 | 168.8 | -10.5 | 0 | 0 | 120.2 | ||||
| 585 | E | 29.1 | Very low | 26.7 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -52.3 | 143.5 | 135.1 | -63.3 | -177.6 | 115.5 | 0 | 0 | 109 | ||||
| 586 | P | 29.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | -150.9 | -178.2 | 77.4 | 41.2 | -22.6 | 0 | 0 | 0 | 116 | |||||
| 587 | Q | 26.3 | Very low | 26.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | 54.6 | 110.6 | 143.6 | -77.8 | 164.6 | 12.3 | 0 | 0 | 118.4 | ||||
| 588 | Q | 23.9 | Very low | 26.7 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | 74.2 | 136.2 | 88.6 | -85.2 | -168.9 | -12.4 | 0 | 0 | 115.6 | |||||
| 589 | I | 23.3 | Very low | 26.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 65% | 0.646 | 71% | 0.71 | S | S | * | * | trans | 61 | 88 | 147.4 | -60.4 | 166.1 | 0 | 0 | 0 | 113.7 | ||||
| 590 | C | 23.5 | Very low | 26.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | 49.9 | 114.7 | 90.5 | -58.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 591 | H | 25.5 | Very low | 26.8 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -177.1 | 129.7 | 138.3 | -99 | 15.6 | 0 | 0 | 0 | 111.1 | ||||
| 592 | R | 24.8 | Very low | 26.8 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | 75 | 159.3 | 86.5 | -78 | -172.3 | 168.2 | 159 | -15.7 | 112.4 | |||||
| 593 | N | 26.4 | Very low | 26.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | cis | -156 | 168.8 | 3.8 | -132.7 | 8.3 | 0 | 0 | 0 | 111.8 | ||||
| 594 | N | 29.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 157.6 | 138.3 | 131.1 | -79.8 | -14.2 | 0 | 0 | 0 | 108.8 | ||||
| 595 | T | 32.3 | Very low | 26.8 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | cis | -170.5 | 145.2 | 5.5 | 16.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 596 | T | 32.1 | Very low | 26.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | cis | -169.4 | 166.8 | -9.1 | 4.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 597 | N | 28.6 | Very low | 26.4 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | 72.4 | 108.7 | 150.6 | -62.7 | -1.1 | 0 | 0 | 0 | 123 | ||||
| 598 | N | 28.8 | Very low | 26.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | 82.8 | 123.3 | 123.4 | -61.1 | 0.9 | 0 | 0 | 0 | 123.9 | |||||
| 599 | N | 27.4 | Very low | 26.7 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | 95.1 | 137.7 | 141.1 | -66.1 | -2.8 | 0 | 0 | 0 | 123.1 | ||||
| 600 | S | 26.9 | Very low | 26.9 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 77.1 | 109.1 | 151.6 | 54.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 601 | S | 25.2 | Very low | 27.2 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | 58.2 | 131.7 | 128.8 | 63.7 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 602 | N | 24.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | 91.2 | 143.3 | 138.3 | -74.8 | 5.5 | 0 | 0 | 0 | 123.2 | ||||
| 603 | T | 24.6 | Very low | 27.1 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | 76.2 | 123.6 | 150.3 | 41.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 604 | L | 24.7 | Very low | 27.1 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | 76.9 | 140.2 | 139.4 | -95.6 | 69.7 | 0 | 0 | 0 | 123.4 | ||||
| 605 | D | 25 | Very low | 26.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | 88.3 | 126 | 136.1 | -73.7 | -1 | 0 | 0 | 0 | 125.8 | ||||
| 606 | Y | 24.3 | Very low | 26.7 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 72.2 | 117.5 | 138.8 | -86 | -110.9 | 0 | 0 | 0 | 123.5 | ||||
| 607 | L | 26.6 | Very low | 26.5 | Very low | 137 Ų | 137 | 136 Ų | 136 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | 57.6 | 99.1 | 141.7 | -66.8 | -179.5 | 0 | 0 | 0 | 121.5 | ||||
| 608 | N | 28 | Very low | 26.5 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | 69.5 | 109.2 | 105 | -159.3 | 21 | 0 | 0 | 0 | 118.8 | |||||
| 609 | I | 27.4 | Very low | 26.4 | Very low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | -165.5 | 142.5 | 105.8 | -94.3 | 154.4 | 0 | 0 | 0 | 111.4 | |||||
| 610 | N | 27.4 | Very low | 26.3 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -40.4 | 162.7 | 172.5 | -76.4 | -30.1 | 0 | 0 | 0 | 116.6 | ||||
| 611 | P | 30.7 | Very low | 26.8 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -145.9 | 171.1 | 30 | 43.1 | -24.4 | 0 | 0 | 0 | 119.2 | ||||
| 612 | L | 23.4 | Very low | 26.7 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | 54.3 | 126.4 | 147.5 | -69.6 | 165.2 | 0 | 0 | 0 | 118.4 | ||||
| 613 | T | 24.2 | Very low | 26.8 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -154.1 | 172.1 | 12.4 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 614 | Y | 26.9 | Very low | 26.9 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | 178.6 | 122.2 | 125.7 | -115.8 | -118.8 | 0 | 0 | 0 | 111 | |||||
| 615 | F | 26.5 | Very low | 27 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | trans | 55.1 | 138.2 | 162.7 | -70.6 | -112.5 | 0 | 0 | 0 | 118.4 | ||||
| 616 | S | 27.3 | Very low | 27 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | cis | -141.1 | 167.3 | 28.1 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 617 | S | 28.5 | Very low | 27 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -21.9 | 129.9 | 175 | -51.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 618 | N | 27.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | 70.9 | 136.6 | 66.9 | -67.4 | -16.6 | 0 | 0 | 0 | 113.5 | |||||
| 619 | L | 27.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | cis | -149.5 | 177.7 | 17 | -150.8 | 75.7 | 0 | 0 | 0 | 113.5 | ||||
| 620 | F | 25.2 | Very low | 27.1 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -124.1 | -168.5 | -178.4 | -103.7 | -57.9 | 0 | 0 | 0 | 109.1 | ||||
| 621 | P | 37.3 | Very low | 27 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -141.3 | -167.9 | -37.3 | 37.4 | -16.2 | 0 | 0 | 0 | 115.8 | ||||
| 622 | S | 23.8 | Very low | 26.7 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 93.4 | 109.3 | 131.8 | 63.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 623 | T | 25.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | 45.4 | 121.6 | 125.9 | 61.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 624 | D | 27.7 | Very low | 26.6 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | -166.6 | 152.1 | 109.5 | -100.4 | -15.2 | 0 | 0 | 0 | 108.1 | |||||
| 625 | I | 26.4 | Very low | 26.5 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | 75.2 | 118 | 40.5 | -58.2 | -179 | 0 | 0 | 0 | 111.9 | ||||
| 626 | N | 24.8 | Very low | 26.4 | Very low | 115 Ų | 115 | 141 Ų | 141 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | -134.8 | 158.1 | 1.2 | -87.6 | -68.4 | 0 | 0 | 0 | 109.2 | ||||
| 627 | D | 25 | Very low | 26.3 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -139.6 | 146.3 | 133.9 | -151.8 | -9.7 | 0 | 0 | 0 | 110.4 | ||||
| 628 | K | 29.3 | Very low | 26.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -133.8 | 97 | -158.2 | -158.9 | 169.7 | -171.6 | 171.5 | 0 | 112.6 | ||||
| 629 | F | 27.2 | Very low | 26.3 | Very low | 214 Ų | 214 | 146 Ų | 146 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.7 | -173 | -101.6 | -93.6 | 0 | 0 | 0 | 115 | ||
| 630 | K | 27.6 | Very low | 26.3 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92 | 169.9 | 168.3 | -154.9 | 175.2 | -179.9 | -176 | 0 | 109.9 | ||
| 631 | M | 23.6 | Very low | 26.4 | Very low | 155 Ų | 155 | 143 Ų | 143 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 151.7 | -162.6 | -58 | 176.6 | 69.5 | 0 | 0 | 115.6 | ||
| 632 | N | 24.4 | Very low | 25.8 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 79.4 | 149.8 | 140.7 | -70.9 | 3.9 | 0 | 0 | 0 | 123.6 | ||||
| 633 | S | 22.8 | Very low | 25.7 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 76.6 | 102 | 142 | 58.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 634 | S | 23.2 | Very low | 25.7 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 70.6 | 152.9 | 119.4 | 69.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 635 | H | 24.3 | Very low | 25.6 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 60.6 | 126.5 | 174.8 | -76.3 | -96.7 | 0 | 0 | 0 | 114.9 | ||||
| 636 | L | 24.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 156 Ų | 156 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | -172.9 | 122.4 | 56.8 | 174.7 | 76.3 | 0 | 0 | 0 | 111 | |||||
| 637 | T | 26.3 | Very low | 25.5 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -151.9 | 83.6 | 159.5 | 4.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 638 | A | 28 | Very low | 25.4 | Very low | 93 Ų | 93 | 161.6 Ų | 161.6 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -117 | 146 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 639 | K | 28.2 | Very low | 25.3 | Very low | 208 Ų | 208 | 161.4 Ų | 161.4 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -81.8 | 141.7 | -171 | -65.7 | 176.7 | 179.4 | 174.9 | 0 | 113.6 | ||||
| 640 | Q | 25.8 | Very low | 25.1 | Very low | 197 Ų | 197 | 154 Ų | 154 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -162.5 | 149.4 | 140.1 | -101.1 | 163.1 | 24.3 | 0 | 0 | 105.6 | ||||
| 641 | A | 27 | Very low | 25.1 | Very low | 92 Ų | 92 | 151.9 Ų | 151.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -158.3 | 177.6 | 6.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 642 | F | 25.1 | Very low | 25.1 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | cis | -163.1 | -179.8 | -15 | -171.1 | -107.3 | 0 | 0 | 0 | 108 | ||||
| 643 | L | 22.6 | Very low | 25.3 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 153.5 | 179.5 | -62.5 | 95.8 | 0 | 0 | 0 | 115.1 | ||||
| 644 | I | 26.4 | Very low | 25.6 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | -173.8 | 154.5 | 127.8 | -99.6 | 154.7 | 0 | 0 | 0 | 108.7 | |||||
| 645 | R | 25.7 | Very low | 25.7 | Very low | 221 Ų | 221 | 159.1 Ų | 159.1 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | cis | -178.2 | 146.8 | -40.1 | -178.5 | 172.9 | -176.6 | 146.8 | 2.1 | 105.4 | ||||
| 646 | N | 23 | Very low | 25.8 | Very low | 154 Ų | 154 | 160 Ų | 160 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -51.1 | 141.4 | 172.8 | -63.6 | -14 | 0 | 0 | 0 | 112.7 | ||||
| 647 | Y | 25.1 | Very low | 25.8 | Very low | 210 Ų | 210 | 159.1 Ų | 159.1 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -142.8 | 122.2 | 147.8 | -115.7 | -75.6 | 0 | 0 | 0 | 112 | ||||
| 648 | L | 22.2 | Very low | 25.8 | Very low | 166 Ų | 166 | 161.3 Ų | 161.3 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -88.2 | 111.8 | 164.5 | -85.8 | 162.6 | 0 | 0 | 0 | 108.5 | ||||
| 649 | H | 27.3 | Very low | 25.6 | Very low | 174 Ų | 174 | 163.9 Ų | 163.9 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -159.2 | 126.4 | 150.3 | -94.8 | -80.6 | 0 | 0 | 0 | 105 | ||||
| 650 | G | 23.8 | Very low | 25.6 | Very low | 59 Ų | 59 | 159.1 Ų | 159.1 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | cis | 94.9 | 81.6 | 12.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 651 | D | 27.6 | Very low | 25.6 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -152.6 | 163.6 | 127.6 | -129.1 | -35.2 | 0 | 0 | 0 | 113.3 | |||||
| 652 | N | 24.4 | Very low | 25.7 | Very low | 134 Ų | 134 | 158.6 Ų | 158.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -88.8 | 152.9 | -171.5 | -61 | -94 | 0 | 0 | 0 | 112.1 | ||||
| 653 | H | 28.5 | Very low | 25.8 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -177.6 | 154 | 115.2 | -109.3 | -72.4 | 0 | 0 | 0 | 115.6 | |||||
| 654 | K | 28.6 | Very low | 26.1 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | 75 | 83.9 | 159.1 | -66.1 | 158.8 | -174.5 | 173 | 0 | 117.6 | ||||
| 655 | N | 24.6 | Very low | 26.2 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -57.7 | 132 | 131.2 | -83.3 | -26.1 | 0 | 0 | 0 | 109.5 | ||||
| 656 | F | 26 | Very low | 26.1 | Very low | 201 Ų | 201 | 152 Ų | 152 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -153.8 | 95.7 | 147.1 | -122.1 | -71.7 | 0 | 0 | 0 | 109.5 | ||||
| 657 | T | 26 | Very low | 26.2 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -65.9 | 144.5 | 170.7 | 18 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 658 | K | 26.6 | Very low | 26.3 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | -133.8 | 111.7 | 165.3 | -159 | 174.8 | -174.8 | -178 | 0 | 109.5 | ||||
| 659 | I | 23.6 | Very low | 26.6 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -111.4 | 138.1 | -179.6 | -63.6 | 170 | 0 | 0 | 0 | 108.2 | ||||
| 660 | T | 27.1 | Very low | 26.6 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | 165.2 | 143.2 | 161.3 | 41.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 661 | H | 27.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | cis | -171.5 | 162.7 | 3.4 | -108.9 | -32.7 | 0 | 0 | 0 | 106.8 | ||||
| 662 | I | 27.8 | Very low | 27 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | cis | -161.3 | -160 | -7.9 | -151 | 176.4 | 0 | 0 | 0 | 108 | D664 | I662-D664 WeakPolarHBondContact CG1-OD2 3.35Š| ||
| 663 | H | 28.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 81 | 108 | 178.1 | -76.1 | -60.1 | 0 | 0 | 0 | 116 | ||||
| 664 | D | 28.8 | Very low | 27 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | 72.7 | 131.8 | 24.7 | -31 | -46 | 0 | 0 | 0 | 114.3 | I662 | I662-D664 WeakPolarHBondContact CG1-OD2 3.35Š| ||
| 665 | E | 27.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | cis | -162.4 | 166.5 | -12.3 | -132.5 | -162.6 | 162 | 0 | 0 | 111.5 | ||||
| 666 | L | 23.5 | Very low | 26.7 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 31.3 | 127.4 | 154 | -68.9 | 169.1 | 0 | 0 | 0 | 122.8 | ||||
| 667 | F | 26.9 | Very low | 26.6 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 87% | 0.873 | 73% | 0.727 | S | S | * | * | 177.5 | 158.3 | 119.9 | -113.3 | -87.8 | 0 | 0 | 0 | 110.9 | |||||
| 668 | N | 25.5 | Very low | 26.5 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | -156.8 | -179.2 | -64.5 | -159.5 | -17.4 | 0 | 0 | 0 | 108.2 | |||||
| 669 | I | 29.2 | Very low | 26.6 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | 75.7 | 130.7 | 169 | -53.3 | 165.9 | 0 | 0 | 0 | 114.8 | ||||
| 670 | S | 27.9 | Very low | 26.7 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -167.2 | 145.6 | -15.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 671 | N | 30.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | 168.3 | 127 | 125 | -95.8 | -65.1 | 0 | 0 | 0 | 113.4 | |||||
| 672 | K | 28.7 | Very low | 26.7 | Very low | 177 Ų | 177 | 132 Ų | 132 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 45.7 | 107.6 | 142.4 | -65.2 | 179.2 | -176.8 | 179.4 | 0 | 119.1 | ||||
| 673 | S | 26.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 69.4 | 136.8 | 72.5 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 674 | S | 26.6 | Very low | 26.9 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -166.9 | 154.2 | -1.4 | 39.6 | 0 | 0 | 0 | 0 | 111.3 | S676 | S674-S676 PolarHBondContact O-N 2.97Å; S674-S676 PolarHBondContact OG-OG 2.88Å | ||
| 675 | S | 22 | Very low | 26.7 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -75.4 | 115 | 158.1 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 676 | S | 26.2 | Very low | 27 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -145.7 | 92.4 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | S674 | S674-S676 PolarHBondContact O-N 2.97Å; S674-S676 PolarHBondContact OG-OG 2.88Å | ||
| 677 | S | 22.6 | Very low | 27.4 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -89 | 163.2 | 148.2 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 678 | T | 25 | Very low | 27.5 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | 79.8 | 78.9 | 177.1 | -34 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 679 | I | 27.6 | Very low | 27.7 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -134.1 | 139.5 | 144.4 | -14.2 | 178.3 | 0 | 0 | 0 | 104.5 | ||||
| 680 | M | 26.3 | Very low | 27.5 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | cis | -130.4 | 165.6 | 12.4 | -35.2 | -164.5 | 73.1 | 0 | 0 | 112.2 | ||||
| 681 | T | 26.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -117 | 158.4 | 160 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 682 | T | 28.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 62.2 | 108.5 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 683 | N | 28.7 | Very low | 27.6 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 75.4 | 146.7 | 142.9 | -56.2 | 23.8 | 0 | 0 | 0 | 117.3 | ||||
| 684 | E | 31 | Very low | 27.8 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | cis | -147.1 | 147.3 | 13 | -136.7 | 140 | -113 | 0 | 0 | 111.5 | ||||
| 685 | D | 25 | Very low | 28 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -85.8 | 116.9 | 179 | -80.1 | -62.1 | 0 | 0 | 0 | 112.6 | ||||
| 686 | T | 33.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -145.9 | 109.9 | 161.6 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 687 | T | 31 | Very low | 28.9 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | 34.4 | 141.5 | 130.2 | 60.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 688 | A | 30 | Very low | 29.3 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | cis | -173.4 | 160.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 689 | T | 29.4 | Very low | 29.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | 47.9 | 108.6 | 145.5 | 54 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 690 | T | 25.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 76.1 | 159.9 | 127.4 | 62.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 691 | T | 28.8 | Very low | 30.3 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | 88.5 | 118.3 | 160.7 | 53.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 692 | T | 30.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | trans | 72.2 | 114.8 | 133.6 | 55.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 693 | T | 29.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | 60 | 143.6 | 126.1 | 64.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 694 | T | 30.1 | Very low | 30.2 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | -171.8 | 164.4 | 5.8 | 13.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 695 | H | 31.4 | Very low | 30 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | 68.3 | 138.9 | 162.7 | -56.7 | -52.6 | 0 | 0 | 0 | 116.2 | ||||
| 696 | T | 31.9 | Very low | 30 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | cis | -166.1 | 167.6 | -0.8 | 11.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 697 | T | 34.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | cis | -136.6 | 158.3 | 9.3 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 698 | N | 30.8 | Very low | 29.5 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | 14.3 | 122.1 | 132 | -43.1 | 20.8 | 0 | 0 | 0 | 116.7 | ||||
| 699 | N | 33 | Very low | 29.4 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | cis | -151.5 | 150.2 | 48 | -82.9 | -33.3 | 0 | 0 | 0 | 114 | ||||
| 700 | D | 31.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | trans | -92.7 | -166.4 | 177.2 | -45.7 | -90.8 | 0 | 0 | 0 | 112.1 | ||||
| 701 | P | 35.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | cis | -125.3 | 168.2 | -15.7 | 38.4 | -22.9 | 0 | 0 | 0 | 113.7 | ||||
| 702 | S | 25.1 | Very low | 29.6 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | cis | 87 | 104 | 4.2 | 85.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 703 | I | 27.4 | Very low | 29.3 | Very low | 152 Ų | 152 | 132 Ų | 132 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | 72 | 157.7 | 134.2 | -67.5 | 171.6 | 0 | 0 | 0 | 115.8 | ||||
| 704 | H | 29.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | cis | -134.3 | -150.2 | 8.7 | -140.3 | -49.2 | 0 | 0 | 0 | 112.9 | ||||
| 705 | S | 25.8 | Very low | 29.5 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 51% | 0.51 | 73% | 0.727 | S | S | . | * | trans | -139.6 | 150.3 | -159.2 | 59 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 706 | I | 25.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 62.3 | 145.3 | 134.7 | -70.4 | 173.1 | 0 | 0 | 0 | 120.3 | ||||
| 707 | L | 26.5 | Very low | 29.1 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | 89.8 | 125 | 165 | -78.9 | 156.7 | 0 | 0 | 0 | 120.6 | ||||
| 708 | N | 28.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | 72.1 | 126.9 | 145.1 | -66.7 | -8.2 | 0 | 0 | 0 | 122.1 | ||||
| 709 | N | 26.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | 52.1 | 139.1 | 127.7 | -60 | 28.3 | 0 | 0 | 0 | 119.4 | |||||
| 710 | E | 28.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | cis | -164.4 | 143.3 | 14.9 | -130.3 | 159.4 | -117.9 | 0 | 0 | 110.6 | ||||
| 711 | T | 29.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 62.6 | 154.9 | 165.9 | 73.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 712 | I | 30.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | cis | -126.1 | 142.1 | 8.1 | -69.8 | 172.3 | 0 | 0 | 0 | 109.1 | ||||
| 713 | L | 23.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -103.6 | -178 | 170.5 | -62.9 | 170.5 | 0 | 0 | 0 | 110.9 | ||||
| 714 | P | 35.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | -85.1 | -166.2 | -127.8 | 39.6 | -20.2 | 0 | 0 | 0 | 113.4 | |||||
| 715 | I | 27.7 | Very low | 27.7 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | trans | 164.7 | 135.7 | 133.9 | -87.8 | 156.5 | 0 | 0 | 0 | 111.4 | ||||
| 716 | E | 27.7 | Very low | 27.8 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 54.8 | 170.6 | 159.6 | -75.3 | 156.7 | -142.7 | 0 | 0 | 120.1 | ||||
| 717 | H | 28.6 | Very low | 27.8 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | -163.1 | 146.2 | -59.4 | -124 | -62.7 | 0 | 0 | 0 | 108 | |||||
| 718 | N | 25.1 | Very low | 27.7 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | 35.2 | 106.1 | 153.4 | -57.1 | -1.3 | 0 | 0 | 0 | 120.9 | ||||
| 719 | S | 28.7 | Very low | 27.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | 175.3 | 120 | 115.2 | 37.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 720 | N | 25.1 | Very low | 27.7 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | 78.4 | 125.3 | 69.3 | -94.2 | -5.3 | 0 | 0 | 0 | 115.4 | |||||
| 721 | S | 26.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | 68.9 | 142.9 | 167 | 79.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 722 | N | 29.3 | Very low | 27.9 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | -145.4 | 147.3 | 31.5 | -91.1 | -64.2 | 0 | 0 | 0 | 115.9 | ||||
| 723 | T | 27.2 | Very low | 27.8 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | 1.9 | 126.5 | 143.6 | 62.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 724 | M | 28.5 | Very low | 28.2 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 84% | 0.837 | 72% | 0.723 | S | S | * | * | 170.7 | 126.4 | 109 | -90.3 | -163.9 | -178.5 | 0 | 0 | 108.3 | |||||
| 725 | N | 27.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 86.2 | 132 | 62 | -169.5 | 36.7 | 0 | 0 | 0 | 113.2 | |||||
| 726 | S | 27.1 | Very low | 28.1 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 50% | 0.497 | 74% | 0.736 | S | S | . | * | trans | 54.2 | 106.6 | 157.1 | 62.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 727 | N | 25 | Very low | 28.1 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | 70.5 | 141.8 | 114.2 | -56.2 | -13 | 0 | 0 | 0 | 121.7 | |||||
| 728 | N | 26.2 | Very low | 28.1 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | 70.2 | 147.4 | 142 | -68.8 | -3.3 | 0 | 0 | 0 | 118.5 | ||||
| 729 | S | 24.8 | Very low | 28.2 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | cis | -166 | -159.3 | -16.3 | 51.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 730 | N | 30.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 84.3 | 137.8 | 167.3 | -44.9 | -21.8 | 0 | 0 | 0 | 113.3 | ||||
| 731 | I | 31.4 | Very low | 28.2 | Very low | 143 Ų | 143 | 125 Ų | 125 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | cis | -152.8 | 142.8 | 3.8 | -128.8 | 165.9 | 0 | 0 | 0 | 112.4 | ||||
| 732 | T | 30.7 | Very low | 28.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 55 | 123.1 | 158.6 | 59.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 733 | N | 28.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | 83.8 | 108.2 | 122.4 | -63.1 | 3.4 | 0 | 0 | 0 | 123.5 | |||||
| 734 | S | 31.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 91.7 | 121.7 | 116.4 | 70.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 735 | N | 29.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | 64.3 | 124.6 | 141.3 | -56.6 | -5.6 | 0 | 0 | 0 | 120.4 | ||||
| 736 | G | 30 | Very low | 28 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | 170.5 | 109.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 737 | N | 28.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -75.8 | 153.6 | -172 | -103.6 | -7.7 | 0 | 0 | 0 | 115.3 | ||||
| 738 | S | 28.3 | Very low | 27.9 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 69.7 | 118.8 | 138 | 65.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 739 | N | 28 | Very low | 28 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | 83.2 | 112.9 | 125.5 | -62.9 | 7.2 | 0 | 0 | 0 | 121.8 | |||||
| 740 | N | 27.3 | Very low | 28.1 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | 107 | 120.9 | 119.5 | -79.8 | 12 | 0 | 0 | 0 | 121.7 | |||||
| 741 | I | 27.1 | Very low | 28 | Very low | 132 Ų | 132 | 132 Ų | 132 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | trans | 74.4 | 115.4 | 141.6 | -58.2 | 161.7 | 0 | 0 | 0 | 118 | ||||
| 742 | N | 29.1 | Very low | 27.9 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | -163.6 | 177.5 | 123.3 | -96.4 | -34.9 | 0 | 0 | 0 | 110.4 | |||||
| 743 | N | 26.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | -99 | 174.6 | -152.4 | -61.5 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 744 | D | 28.3 | Very low | 27.8 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 105.8 | 129.4 | 139.3 | -66.4 | -43.2 | 0 | 0 | 0 | 122.5 | ||||
| 745 | L | 28 | Very low | 27.6 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 57.9 | 106.1 | 147.6 | -65.8 | 167.7 | 0 | 0 | 0 | 122.3 | ||||
| 746 | C | 23.1 | Very low | 27.5 | Very low | 107 Ų | 107 | 135 Ų | 135 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | 69.2 | 128.8 | 129.2 | -69.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 747 | L | 24.9 | Very low | 27.3 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | 72.3 | 114.3 | 150.2 | -64.6 | 169.1 | 0 | 0 | 0 | 119.5 | ||||
| 748 | N | 23.7 | Very low | 27.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | 61.6 | 144.7 | 122.9 | -64.6 | 27.6 | 0 | 0 | 0 | 119.4 | |||||
| 749 | E | 28.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 62% | 0.617 | 72% | 0.717 | S | S | * | * | cis | -168.3 | 162 | 15.6 | -127 | 160.7 | -142.1 | 0 | 0 | 112.9 | ||||
| 750 | F | 27.2 | Very low | 27.7 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 75% | 0.746 | 72% | 0.719 | S | S | * | * | trans | 60.1 | 163.2 | 151.5 | -65.1 | -48.2 | 0 | 0 | 0 | 121.1 | ||||
| 751 | D | 28.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | cis | -154.7 | 171.8 | -1 | -134.5 | 4.2 | 0 | 0 | 0 | 110.5 | ||||
| 752 | N | 29.6 | Very low | 27.5 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | cis | -133.4 | -87.1 | -8.9 | -170.8 | -106.5 | 0 | 0 | 0 | 111.4 | ||||
| 753 | F | 28.2 | Very low | 27.3 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | cis | -157.6 | 124.8 | -16.1 | -137.8 | -28.4 | 0 | 0 | 0 | 111.8 | ||||
| 754 | L | 28.1 | Very low | 27.3 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 67% | 0.665 | 72% | 0.724 | S | S | * | * | trans | 61.1 | 131.6 | 170.2 | -69.7 | 129 | 0 | 0 | 0 | 117.9 | ||||
| 755 | H | 28 | Very low | 27.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | cis | -167.1 | 160.6 | -8.7 | -138.7 | -149.3 | 0 | 0 | 0 | 112.7 | ||||
| 756 | L | 27.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 76.6 | 156.6 | 155.3 | -66.8 | 162.1 | 0 | 0 | 0 | 122.3 | ||||
| 757 | T | 24.7 | Very low | 27.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -149.7 | -169.9 | -173.8 | 66.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 758 | P | 36.9 | Very low | 27.6 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | cis | -137.1 | 172.9 | -13.2 | 39 | -20.1 | 0 | 0 | 0 | 116.8 | ||||
| 759 | S | 29.3 | Very low | 27.8 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 57.9 | 129.7 | 143.4 | 64.7 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 760 | N | 27.9 | Very low | 28 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 86.3 | 118.7 | 139.5 | -73.4 | 6.1 | 0 | 0 | 0 | 124.5 | ||||
| 761 | C | 24.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | trans | 76.7 | 115.7 | 138.2 | -66.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 762 | N | 26.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | 71.2 | 109.4 | 142.1 | -70.4 | 11.3 | 0 | 0 | 0 | 122.3 | ||||
| 763 | C | 24.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | 82.1 | 128.9 | 127.3 | -65.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 764 | I | 25.2 | Very low | 28.8 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 70.2 | 132.5 | 142 | -67.6 | 169.9 | 0 | 0 | 0 | 115.3 | ||||
| 765 | I | 27.7 | Very low | 29 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 64% | 0.641 | 76% | 0.761 | S | S | * | * | cis | -179.9 | 146.9 | -10.3 | -108.7 | 164.7 | 0 | 0 | 0 | 102.2 | ||||
| 766 | D | 26.8 | Very low | 28.9 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 166.5 | 161.9 | 141 | -94 | -20.8 | 0 | 0 | 0 | 111.3 | ||||
| 767 | C | 25.4 | Very low | 29 | Very low | 98 Ų | 98 | 134 Ų | 134 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | 173.4 | 138.6 | -45.7 | -100.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 768 | K | 31.1 | Very low | 29.1 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | 149.7 | 144.9 | 170.7 | -93.1 | 164.4 | -178.9 | -176.9 | 0 | 107.2 | ||||
| 769 | G | 29.1 | Very low | 28.6 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | cis | -178 | 155.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 770 | D | 30.9 | Very low | 28.5 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | cis | -155.1 | 152.9 | 29.7 | -67.9 | -38.6 | 0 | 0 | 0 | 106.6 | ||||
| 771 | V | 32.6 | Very low | 28.4 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | 67.1 | 133.9 | 63.9 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 772 | D | 32.6 | Very low | 28.6 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | cis | -90.7 | -125.1 | 3 | -58.7 | -83.9 | 0 | 0 | 0 | 114.2 | ||||
| 773 | D | 36 | Very low | 28.8 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | cis | -158.9 | 167.1 | 8.4 | -170.3 | 13.3 | 0 | 0 | 0 | 110.6 | ||||
| 774 | D | 30.9 | Very low | 29.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -130.5 | 170.9 | -161.1 | -91.2 | -46.2 | 0 | 0 | 0 | 117.9 | ||||
| 775 | G | 31.5 | Very low | 29.4 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -175.7 | 38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 776 | D | 26.5 | Very low | 29.6 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 156.9 | 177.1 | -103 | -29.5 | 0 | 0 | 0 | 115.4 | ||||
| 777 | Y | 29.2 | Very low | 29.7 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -156.6 | 97.2 | 150.2 | -111.5 | -78.4 | 0 | 0 | 0 | 118.1 | ||||
| 778 | Y | 26.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 139 Ų | 139 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | 52.1 | 163.8 | 143.2 | -66.6 | -109.9 | 0 | 0 | 0 | 122.3 | ||||
| 779 | V | 26.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | cis | -147.7 | 150.5 | 6.2 | -149.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 780 | T | 26.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | 42.1 | 123.5 | 152.9 | 46 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 781 | V | 26.1 | Very low | 29.5 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | cis | 94.3 | 120.8 | 48.6 | 166.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 782 | K | 29.3 | Very low | 29.4 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 149.5 | 134.7 | 148.7 | -85.4 | -174.6 | 160.3 | -84.6 | 0 | 109.6 | ||||
| 783 | D | 31 | Very low | 29.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | cis | -156.1 | 161.7 | -6.5 | -98 | -31.7 | 0 | 0 | 0 | 110.5 | ||||
| 784 | N | 30.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | 79.7 | 98.1 | 159.6 | -61 | -48.7 | 0 | 0 | 0 | 122.3 | ||||
| 785 | N | 31.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | 68.5 | 138.9 | 118 | -50.7 | -25.3 | 0 | 0 | 0 | 121.2 | |||||
| 786 | N | 30.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | cis | -161.5 | 167.9 | -12.6 | -117.5 | -18.1 | 0 | 0 | 0 | 113.6 | ||||
| 787 | A | 29.6 | Very low | 28.7 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | -42.5 | 172.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 788 | L | 26.7 | Very low | 28.6 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | cis | 155.4 | 159.6 | -12.1 | -171.3 | 76.7 | 0 | 0 | 0 | 105.1 | ||||
| 789 | N | 29.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 76.9 | 116.4 | 160.9 | -77.8 | 6 | 0 | 0 | 0 | 122.3 | ||||
| 790 | D | 30 | Very low | 28.7 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | 95.2 | 122.5 | 119.1 | -68.7 | -32.9 | 0 | 0 | 0 | 125.6 | |||||
| 791 | Y | 26.8 | Very low | 28.8 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 71% | 0.71 | 72% | 0.717 | S | S | * | * | trans | 64.5 | 113.3 | 140.2 | -84.4 | -104.1 | 0 | 0 | 0 | 123.9 | ||||
| 792 | K | 28.7 | Very low | 29.1 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | 41.1 | 111.2 | 136.6 | -60.4 | -176.1 | -173.2 | 174.9 | 0 | 119.6 | ||||
| 793 | G | 27.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -168.3 | 158.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 794 | N | 27.6 | Very low | 29.6 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -135.7 | 153.4 | -172.5 | -157 | 0.3 | 0 | 0 | 0 | 114.1 | ||||
| 795 | T | 28.7 | Very low | 30 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 73.3 | 118.5 | 165.1 | 62.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 796 | N | 28 | Very low | 29.9 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | 81.9 | 121.2 | 129.9 | -76.3 | -37 | 0 | 0 | 0 | 124.5 | |||||
| 797 | K | 31.9 | Very low | 29.7 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 72.8 | 148.7 | 145.7 | -62.9 | 178.8 | 179.1 | 178 | 0 | 117 | ||||
| 798 | L | 26.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 69% | 0.686 | 73% | 0.727 | S | S | * | * | cis | -156.2 | 138.4 | -0 | -150.7 | 70.6 | 0 | 0 | 0 | 114.2 | ||||
| 799 | F | 27 | Very low | 29.3 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 70 | 132.4 | 139.8 | -89.6 | -155.9 | 0 | 0 | 0 | 127 | ||||
| 800 | Q | 27.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 57% | 0.565 | 73% | 0.732 | S | S | * | * | trans | 71.1 | 143.8 | 142.8 | -66.7 | -177.3 | 26.8 | 0 | 0 | 118.6 | ||||
| 801 | K | 30.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | cis | -155.9 | 161.8 | 3.4 | -113.1 | 154.7 | 178.7 | 153.8 | 0 | 107 | ||||
| 802 | K | 30.9 | Very low | 29.4 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | cis | -117.6 | 170.3 | 3.6 | -48.3 | 174.3 | -176.9 | 173.5 | 0 | 109 | ||||
| 803 | F | 30.8 | Very low | 29.2 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | cis | 85.7 | 140.8 | 13.1 | -72.3 | -105.4 | 0 | 0 | 0 | 117.8 | ||||
| 804 | P | 41 | Very low | 29.1 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -133.6 | 173.7 | -16.8 | 26.9 | -3.6 | 0 | 0 | 0 | 115 | ||||
| 805 | P | 39.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | cis | -137.3 | -114.1 | 31.3 | 40.5 | -17.8 | 0 | 0 | 0 | 117.8 | S807 | P805-S807 PolarHBondContact O-OG 3.38Š| ||
| 806 | K | 28.9 | Very low | 29.1 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -99.5 | 140.2 | -152 | -75.2 | -165.9 | 174.2 | -174.6 | 0 | 113 | ||||
| 807 | S | 26.3 | Very low | 29 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | cis | 61.7 | 142.7 | -4.4 | 77.2 | 0 | 0 | 0 | 0 | 120.7 | P805 | P805-S807 PolarHBondContact O-OG 3.38Š| ||
| 808 | S | 25 | Very low | 28.8 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | -178 | 132.3 | -54.9 | 43.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 809 | L | 23.7 | Very low | 28.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 63.1 | 176.4 | 159.4 | -57.4 | 173.2 | 0 | 0 | 0 | 115.9 | ||||
| 810 | Y | 23.7 | Very low | 28.9 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | cis | -151.6 | -178.1 | -0.2 | -138.5 | -14.8 | 0 | 0 | 0 | 112.4 | ||||
| 811 | N | 30.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -74.4 | 153 | 166.1 | -84.6 | 7.7 | 0 | 0 | 0 | 111.1 | ||||
| 812 | P | 33.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -147.9 | -167.7 | 84.2 | 39.8 | -19.8 | 0 | 0 | 0 | 115.3 | |||||
| 813 | L | 25.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -104.8 | -172.8 | -172.3 | -46.7 | 175.7 | 0 | 0 | 0 | 111.2 | ||||
| 814 | D | 25.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | -163.2 | -160.1 | 9.6 | -148.4 | -64.5 | 0 | 0 | 0 | 109.8 | ||||
| 815 | I | 27.5 | Very low | 28.1 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | 96.9 | 118.1 | 154.3 | -51.8 | -163.2 | 0 | 0 | 0 | 119.6 | ||||
| 816 | E | 27.1 | Very low | 27.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 73.4 | 146.2 | 153.3 | -77.7 | -165.8 | -135.5 | 0 | 0 | 123 | ||||
| 817 | N | 26.7 | Very low | 27.2 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | cis | -168.3 | 147.8 | -22.4 | -135.6 | -23.4 | 0 | 0 | 0 | 112.3 | ||||
| 818 | K | 27.7 | Very low | 27.1 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | 64.4 | 155.2 | 149.4 | -77.1 | 156.4 | -168.8 | 161.1 | 0 | 120.6 | ||||
| 819 | S | 27.2 | Very low | 27.1 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | cis | -167.7 | 174.3 | -5.8 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 820 | S | 28.2 | Very low | 27.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 70.1 | 143.3 | 151.3 | 48.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 821 | C | 27.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | cis | -157.5 | 166.9 | -9.3 | -98.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 822 | Y | 29 | Very low | 27.5 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | cis | -125.9 | 171.2 | 18 | -76 | -114 | 0 | 0 | 0 | 109 | ||||
| 823 | G | 29.6 | Very low | 27.3 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | 118.9 | 136.6 | 27.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 824 | D | 28.5 | Very low | 27.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | cis | -165.3 | 151.4 | 4.8 | -148.5 | 10.5 | 0 | 0 | 0 | 113.6 | ||||
| 825 | K | 29.3 | Very low | 27.8 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | trans | 46.5 | 110.7 | 149.6 | -72.6 | 169.1 | -167.9 | 82.3 | 0 | 126.3 | ||||
| 826 | S | 23.4 | Very low | 27.9 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | 49.8 | 130.7 | 117.4 | 67.5 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 827 | T | 25.3 | Very low | 28.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 77.9 | 134.2 | 136.6 | 47.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 828 | T | 24.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 78.1 | 121.8 | 148.1 | 39.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 829 | T | 25.3 | Very low | 28 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | 77.4 | 144 | 143.7 | 38.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 830 | T | 28.6 | Very low | 27.9 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | 73.6 | 115.9 | 151.5 | 37.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 831 | T | 28.8 | Very low | 27.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 64.2 | 147 | 136.1 | 57.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 832 | T | 28.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | cis | -166.6 | 172.5 | -24.1 | -60.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 833 | I | 30.2 | Very low | 27.5 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | trans | 77.3 | 125.4 | 166.8 | -49.7 | 179.5 | 0 | 0 | 0 | 113.7 | ||||
| 834 | L | 30 | Very low | 27.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | cis | -163.1 | 165 | -23.6 | -134.3 | 59.7 | 0 | 0 | 0 | 104 | ||||
| 835 | C | 30.3 | Very low | 27.1 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 68% | 0.676 | 74% | 0.735 | S | S | * | * | cis | -126.9 | -111.9 | 22.2 | -90 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 836 | N | 31.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | -158 | 162.7 | -126.4 | -69.1 | -32.1 | 0 | 0 | 0 | 112.3 | |||||
| 837 | K | 30.9 | Very low | 27.1 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | cis | -169.9 | 147 | -21 | -98.2 | 173.5 | -176 | -179.5 | 0 | 104.4 | ||||
| 838 | L | 27.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | cis | -158.3 | 173.8 | -9.4 | -123.5 | 169.5 | 0 | 0 | 0 | 107.8 | Y840 | L838-Y840 HydrophobicContact CD2-CD2 4.24Å; L838-Y840 HydrophobicContact CD2-CE2 4.27Å | ||
| 839 | N | 24 | Very low | 27.3 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -135.3 | 131.6 | 176.6 | 176.8 | 30.5 | 0 | 0 | 0 | 109.7 | ||||
| 840 | Y | 25.9 | Very low | 27.4 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -167.6 | 140.5 | 172.3 | -95.8 | -86.3 | 0 | 0 | 0 | 109 | L838 | L838-Y840 HydrophobicContact CD2-CD2 4.24Å; L838-Y840 HydrophobicContact CD2-CE2 4.27Å | ||
| 841 | N | 27.8 | Very low | 27.4 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | cis | -164.5 | 161.3 | -28 | -117.7 | 8.5 | 0 | 0 | 0 | 109.7 | ||||
| 842 | N | 23.4 | Very low | 27.3 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -78.7 | 159 | 166.6 | -72 | -27.5 | 0 | 0 | 0 | 112.1 | ||||
| 843 | Y | 25.2 | Very low | 27.3 | Very low | 224 Ų | 224 | 147 Ų | 147 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -141.3 | 130.8 | 144.2 | -112.8 | -81.3 | 0 | 0 | 0 | 109.9 | ||||
| 844 | N | 23 | Very low | 27.2 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -105.1 | 149.8 | 162.6 | -72 | -24.4 | 0 | 0 | 0 | 107.6 | ||||
| 845 | D | 27.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | -168.2 | 172.6 | 118.6 | -105.9 | -29.6 | 0 | 0 | 0 | 112.4 | |||||
| 846 | T | 23 | Very low | 26.8 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -119.3 | 143.5 | -165.3 | -50 | 0 | 0 | 0 | 0 | 112 | ||||
| 847 | I | 28.5 | Very low | 26.5 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -167.8 | 163 | 148.6 | -104.1 | 151 | 0 | 0 | 0 | 112.1 | ||||
| 848 | L | 24.8 | Very low | 26.3 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -87.3 | 154.5 | -166.7 | -55.8 | 70 | 0 | 0 | 0 | 114.2 | ||||
| 849 | L | 29.1 | Very low | 26.1 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 169.9 | 130.8 | 107.2 | -95.1 | 150.4 | 0 | 0 | 0 | 116.5 | |||||
| 850 | N | 27.1 | Very low | 26.2 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 40.1 | 117.7 | 145.1 | -77.4 | -6.3 | 0 | 0 | 0 | 124.9 | ||||
| 851 | N | 29.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | 70.2 | 103.1 | 120.5 | -60.1 | -23.1 | 0 | 0 | 0 | 123.5 | |||||
| 852 | N | 26 | Very low | 26.2 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 53.6 | 110.5 | 118.4 | -55 | -25.1 | 0 | 0 | 0 | 121.4 | |||||
| 853 | K | 30 | Very low | 26.4 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | -178.1 | 141.9 | 97.5 | -101.8 | 179 | 179.6 | 179.9 | 0 | 115.9 | |||||
| 854 | S | 27.4 | Very low | 26.5 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 106.2 | 144.7 | -55.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 855 | N | 24.6 | Very low | 26.6 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 56.1 | 106.1 | 132.5 | -58.1 | 2.3 | 0 | 0 | 0 | 121.5 | ||||
| 856 | T | 27.3 | Very low | 26.4 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | -157.8 | 165.9 | 116.9 | 0.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 857 | I | 24.4 | Very low | 26.6 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -64.2 | 139.9 | -170.3 | -47.1 | 163.2 | 0 | 0 | 0 | 112.8 | ||||
| 858 | I | 26.4 | Very low | 26.5 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | 168.4 | 148.7 | 129.5 | -88.1 | 167.9 | 0 | 0 | 0 | 113 | |||||
| 859 | H | 24.6 | Very low | 26.5 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | trans | -24.2 | 145.3 | 177.4 | -68.3 | -107.7 | 0 | 0 | 0 | 121.9 | I861 | H859-I861 HydrophobicContact CB-CD1 4.19Å; H859-I861 HydrophobicContact CB-CG1 4.26Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.26Å | ||
| 860 | N | 26.4 | Very low | 26.4 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | -144 | 138.7 | 113.1 | -86.9 | -20.7 | 0 | 0 | 0 | 105.8 | |||||
| 861 | I | 25.9 | Very low | 26.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 59% | 0.585 | 79% | 0.786 | S | S | * | * | cis | 63.3 | 92.2 | 25.9 | -49.5 | -178.9 | 0 | 0 | 0 | 113.2 | H859 | H859-I861 HydrophobicContact CB-CD1 4.19Å; H859-I861 HydrophobicContact CB-CG1 4.26Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.26Å | ||
| 862 | D | 27.4 | Very low | 26.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -117.1 | 121.1 | 145.6 | -95.3 | -54.9 | 0 | 0 | 0 | 107.1 | ||||
| 863 | S | 27 | Very low | 26.2 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -146.8 | 96.1 | 177.9 | -70.1 | 0 | 0 | 0 | 0 | 109.2 | H865 | S863-H865 PolarHBondContact O-N 3.39Š| ||
| 864 | Y | 26.4 | Very low | 26.1 | Very low | 217 Ų | 217 | 143.6 Ų | 143.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 101.8 | 173.4 | -79.7 | -89.8 | 0 | 0 | 0 | 109.5 | ||||
| 865 | H | 25.3 | Very low | 25.9 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -137.3 | 94.8 | 173.2 | -141.1 | -69.4 | 0 | 0 | 0 | 111.7 | S863 | S863-H865 PolarHBondContact O-N 3.39Š| ||
| 866 | C | 24.2 | Very low | 26 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -164.8 | 143 | 160.6 | -94.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 867 | L | 27 | Very low | 26 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | cis | -124.9 | 157.7 | 19.9 | -68.5 | 157.9 | 0 | 0 | 0 | 112.1 | ||||
| 868 | N | 25.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -139.6 | 145.2 | 160.3 | -131.7 | 2.2 | 0 | 0 | 0 | 107.3 | ||||
| 869 | G | 26.5 | Very low | 25.9 | Very low | 72 Ų | 72 | 152.9 Ų | 152.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 135.3 | 66.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 870 | I | 25.3 | Very low | 25.9 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -134.5 | 120.1 | 136.4 | -61.9 | -176 | 0 | 0 | 0 | 106.8 | ||||
| 871 | E | 25.5 | Very low | 25.7 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -98.7 | 141.1 | 164.4 | -66.2 | -176 | 120 | 0 | 0 | 109.6 | ||||
| 872 | S | 26 | Very low | 25.6 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 177.1 | 151.2 | 127.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 873 | L | 27.5 | Very low | 25.5 | Very low | 144 Ų | 144 | 156.3 Ų | 156.3 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | 69.5 | 102.6 | 155.3 | -67.4 | 161 | 0 | 0 | 0 | 120.4 | ||||
| 874 | N | 26.6 | Very low | 25.7 | Very low | 132 Ų | 132 | 158.5 Ų | 158.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 77.2 | 107.4 | 129 | -61.5 | 1.1 | 0 | 0 | 0 | 121.2 | |||||
| 875 | E | 23.2 | Very low | 25.6 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 25.4 | 113.4 | 121 | -58.1 | -174.3 | 142.7 | 0 | 0 | 119.1 | |||||
| 876 | K | 28.1 | Very low | 25.7 | Very low | 214 Ų | 214 | 154.4 Ų | 154.4 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | -163.1 | 151.2 | 120.7 | -109.4 | 152.2 | -170.9 | 167.1 | 0 | 115.3 | |||||
| 877 | H | 26 | Very low | 25.8 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 145.4 | -173.8 | -90.6 | -132.9 | 0 | 0 | 0 | 116.6 | ||||
| 878 | I | 22.8 | Very low | 25.7 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 41.5 | 112.8 | 130.3 | -50 | 177.3 | 0 | 0 | 0 | 118 | ||||
| 879 | K | 27.3 | Very low | 25.9 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | -160.1 | 112.4 | 129.9 | -114.4 | 166.4 | -174.1 | 176.6 | 0 | 115.4 | |||||
| 880 | L | 24.1 | Very low | 26 | Very low | 149 Ų | 149 | 150 Ų | 150 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 9 | 131.8 | 149.7 | -66.2 | 164.3 | 0 | 0 | 0 | 121.3 | ||||
| 881 | Y | 21.6 | Very low | 26.1 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | 26.1 | 105 | 123.3 | -100.9 | -90.9 | 0 | 0 | 0 | 118.2 | |||||
| 882 | N | 23.4 | Very low | 26.1 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 164.7 | 85.9 | 114.2 | -88 | -50.3 | 0 | 0 | 0 | 113.8 | |||||
| 883 | E | 27.1 | Very low | 26.1 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | trans | -173 | 142.9 | 141.5 | -103.4 | -172.8 | 152.5 | 0 | 0 | 105.8 | K886 | E883-K886 WeakPolarHBondContact OE1-CE 3.29Å; E883-K886 IonicContact OE1-NZ 3.82Å; E883-K886 PolarHBondContact OE1-NZ 3.05Å | ||
| 884 | H | 30.7 | Very low | 26 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -125.4 | 141.3 | 24.4 | -80.4 | -120.2 | 0 | 0 | 0 | 114 | ||||
| 885 | N | 23.9 | Very low | 26.1 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | -135.2 | 60 | 149.3 | -129.2 | -50.5 | 0 | 0 | 0 | 109.7 | ||||
| 886 | K | 26.8 | Very low | 26.2 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 60% | 0.6 | 76% | 0.763 | S | S | * | * | trans | -115.8 | 150.1 | 172.8 | -79.1 | 170.5 | 179 | 158.8 | 0 | 108.9 | E883 | E883-K886 WeakPolarHBondContact OE1-CE 3.29Å; E883-K886 IonicContact OE1-NZ 3.82Å; E883-K886 PolarHBondContact OE1-NZ 3.05Å | ||
| 887 | C | 26.3 | Very low | 26.1 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 66.8 | 87.1 | 173.6 | -60.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 888 | L | 25.3 | Very low | 26.3 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | -103.4 | 134.7 | 118.4 | -93.5 | 168.3 | 0 | 0 | 0 | 107.8 | |||||
| 889 | S | 30.2 | Very low | 26.5 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -84.6 | -169.9 | -166.4 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 890 | P | 29 | Very low | 26.8 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 51% | 0.506 | 75% | 0.754 | S | S | . | * | -138 | 174.7 | 90.6 | 39.7 | -26.9 | 0 | 0 | 0 | 113.9 | A1008 N1010 | P890-A1008 HydrophobicContact CG-CB 4.26Å; P890-N1010 WeakPolarHBondContact CD-ND2 3.41Å; P890-N1010 HydrophobicContact CG-CB 4.37Å; P890-N1010 WeakPolarHBondContact CG-ND2 3.33Å | |||
| 891 | S | 26.6 | Very low | 27.1 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -95.3 | 165.2 | -165 | -33.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 892 | L | 24.8 | Very low | 27.7 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 107.8 | 152.8 | -61.4 | 165.3 | 0 | 0 | 0 | 118.5 | ||||
| 893 | L | 27.2 | Very low | 28.2 | Very low | 182 Ų | 182 | 124.8 Ų | 124.8 | 95% | 0.953 | 75% | 0.747 | S | S | * | * | -128.6 | 153.4 | 116.5 | -121.7 | 103.7 | 0 | 0 | 0 | 109 | |||||
| 894 | S | 25.2 | Very low | 28.5 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -109.1 | 153.5 | -167 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 895 | S | 27.7 | Very low | 28.4 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | -162.3 | 141.3 | 143.7 | -79.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 896 | S | 25.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -127.7 | 155.2 | -176.7 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 897 | S | 25.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -179.5 | 115.9 | 149.8 | 28.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 898 | S | 30.9 | Very low | 29 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 173.5 | 145.9 | 137.1 | 38 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 899 | S | 27.5 | Very low | 29.3 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | cis | -170 | 104.2 | -47.1 | 37.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 900 | S | 32.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -158.5 | 103.4 | 162.2 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 901 | H | 32 | Very low | 29.4 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | 84.1 | 122.9 | 71 | -77 | -53.5 | 0 | 0 | 0 | 112.1 | |||||
| 902 | S | 33.1 | Very low | 29.8 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | cis | -163.3 | 157.3 | -7.2 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 903 | S | 33.6 | Very low | 30.3 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 64.7 | 157 | 143.1 | -66.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 904 | S | 33.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -160.5 | 136.4 | -8.5 | -111.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 905 | S | 28.8 | Very low | 31.1 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | 70.3 | 149.3 | 76.2 | 88 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 906 | Y | 28.2 | Very low | 31.7 | Very low | 198 Ų | 198 | 119.1 Ų | 119.1 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | cis | -163.4 | 160.5 | 25.7 | -99.6 | -50.5 | 0 | 0 | 0 | 114 | ||||
| 907 | L | 27.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 121 Ų | 121 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | 63.4 | 165 | 148.7 | -64.2 | 163.2 | 0 | 0 | 0 | 118.4 | ||||
| 908 | T | 35.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | cis | -122.3 | 166.6 | 1.2 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 909 | G | 30 | Very low | 32.6 | Very low | 61 Ų | 61 | 121.4 Ų | 121.4 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | cis | 100.5 | 145.8 | 38.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 910 | N | 30.8 | Very low | 33.1 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | -171.5 | 164.2 | -2.4 | -127 | -5.9 | 0 | 0 | 0 | 114.5 | ||||
| 911 | H | 31.8 | Very low | 33 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | 63.1 | 161.8 | 157.7 | -51 | -43.9 | 0 | 0 | 0 | 120.4 | ||||
| 912 | S | 33.7 | Very low | 33.1 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | cis | -138.3 | 142.9 | 5.6 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 913 | T | 35.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | 63.3 | 129.5 | 56.9 | 67.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 914 | P | 38.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | -138.8 | -179.5 | 87 | 40.5 | -26.8 | 0 | 0 | 0 | 116.7 | |||||
| 915 | T | 32.2 | Very low | 33.3 | Very low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -131.1 | -157.1 | -175.9 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 916 | P | 40.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -136 | -143.8 | -10.2 | 40.6 | -18.3 | 0 | 0 | 0 | 113.6 | ||||
| 917 | I | 34.1 | Very low | 33.8 | Very low | 154 Ų | 154 | 119.7 Ų | 119.7 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | 89.3 | 138.3 | 179.9 | -62.9 | 172 | 0 | 0 | 0 | 113.5 | ||||
| 918 | S | 33.5 | Very low | 34.1 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | cis | -165.1 | 165.4 | -17.5 | -91.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 919 | I | 32 | Very low | 33.8 | Very low | 154 Ų | 154 | 116 Ų | 116 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | cis | 83.3 | 134.6 | 26.8 | -60.2 | 169.5 | 0 | 0 | 0 | 113 | ||||
| 920 | P | 39.4 | Very low | 33.9 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | cis | -123.3 | -156.4 | 10 | 43.5 | -27.6 | 0 | 0 | 0 | 115.8 | ||||
| 921 | S | 29.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -128.1 | 157.7 | -154 | 57.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 922 | T | 34.1 | Very low | 33.8 | Very low | 137 Ų | 137 | 117.8 Ų | 117.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -159.4 | 155.5 | 160.2 | 40.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 923 | S | 34.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | 177.3 | 149.2 | -19.2 | 50.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 924 | S | 35.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -172.3 | 179.9 | -9.5 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 925 | S | 33.3 | Very low | 32.9 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 62.2 | 135.9 | 161 | 42.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 926 | T | 35.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | cis | -166.2 | 150.6 | -4.9 | 11.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 927 | S | 32.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 28.5 | 151.8 | 146 | 62.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 928 | S | 33.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 115.2 Ų | 115.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -177.7 | 144.9 | -13 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 929 | S | 30.8 | Very low | 32 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 27.8 | 136.1 | 143.4 | -48.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 930 | S | 31.5 | Very low | 32.3 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | 80.4 | 108.5 | 128.8 | 59.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 931 | T | 28.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | 80.8 | 155.8 | 125.7 | 57.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 932 | L | 31 | Very low | 31.9 | Very low | 161 Ų | 161 | 115.7 Ų | 115.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 91 | 137.1 | 172.7 | -54.9 | 174.3 | 0 | 0 | 0 | 117.1 | ||||
| 933 | S | 30.4 | Very low | 31.7 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | cis | -177.8 | 130.5 | -41.4 | 42 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 934 | L | 27.2 | Very low | 31.4 | Very low | 167 Ų | 167 | 117 Ų | 117 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 65 | 149.4 | 159.8 | -89.6 | 67.4 | 0 | 0 | 0 | 116.8 | ||||
| 935 | S | 32 | Very low | 31.3 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | cis | -150 | 150.4 | 1.5 | -74.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 936 | S | 30.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | 38.4 | 129 | 144.4 | 62.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 937 | T | 30 | Very low | 31 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 64.2 | 141.3 | 141.4 | 50.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 938 | S | 29.4 | Very low | 31 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | cis | -170.1 | 131.6 | -5.3 | 44.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 939 | T | 30 | Very low | 30.7 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | 71 | 175.3 | 154.9 | 69.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 940 | P | 38.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | -136.1 | 155.8 | -87.9 | 39.5 | -21.1 | 0 | 0 | 0 | 118.7 | |||||
| 941 | S | 30 | Very low | 30.4 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -159.8 | 154.3 | 158.5 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 942 | I | 30.5 | Very low | 30.6 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | 114.4 | 119.7 | 4 | -66.7 | 166.1 | 0 | 0 | 0 | 114.1 | ||||
| 943 | I | 30.2 | Very low | 30.4 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | 65.5 | 138.5 | 166.8 | -71.4 | 168.7 | 0 | 0 | 0 | 115.8 | ||||
| 944 | S | 29.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | -152.6 | 177.6 | -3.3 | -132.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 945 | S | 31.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | cis | -155.8 | 163.6 | 1.1 | 56.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 946 | K | 34.4 | Very low | 30.6 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | cis | -131.3 | 137.1 | 34.3 | -65.7 | 178.3 | 176.5 | 179.2 | 0 | 113.8 | ||||
| 947 | V | 29.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -85.2 | 148.6 | 157.5 | 172.6 | 0 | 0 | 0 | 0 | 107.6 | N949 | V947-N949 WeakPolarHBondContact CG1-OD1 3.38Š| ||
| 948 | S | 31.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 167.7 | 154.9 | 101.9 | 45 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 949 | N | 28.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -155.5 | 133 | -12 | -108.3 | -8.4 | 0 | 0 | 0 | 110.5 | V947 | V947-N949 WeakPolarHBondContact CG1-OD1 3.38Š|
| 950 | Y | 25.3 | Very low | 31 | Very low | 245 Ų | 245 | 134 Ų | 134 | 96% | 0.961 | 74% | 0.74 | S | S | * | * | trans | -141.4 | 107 | 139.6 | -80.3 | -63.6 | 0 | 0 | 0 | 106.3 | ||||
| 951 | N | 29.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 60% | 0.599 | 73% | 0.732 | S | S | * | * | trans | -86.1 | 142.7 | -167.9 | -153.3 | -5.5 | 0 | 0 | 0 | 110.5 | ||||
| 952 | L | 32.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -92.2 | 7 | -169.9 | -146 | 85 | 0 | 0 | 0 | 114.1 | ||
| 953 | N | 27.2 | Very low | 31.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | -103.2 | -8.5 | -164.9 | -69 | -2.3 | 0 | 0 | 0 | 115.2 | L955 | N953-L955 PolarHBondContact O-N 3.34Š| ||
| 954 | D | 29.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 42 | 176.9 | -67.9 | -40.6 | 0 | 0 | 0 | 113.2 | ||
| 955 | L | 36.2 | Very low | 33.6 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | -1.4 | 175.3 | -85.5 | 171.3 | 0 | 0 | 0 | 114.5 | N953 | N953-L955 PolarHBondContact O-N 3.34Š|
| 956 | N | 28.9 | Very low | 35 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -116.2 | 35.6 | 171.9 | -78.4 | -24.1 | 0 | 0 | 0 | 112.5 | ||
| 957 | S | 28.8 | Very low | 37.4 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -151.4 | 41.7 | 166.3 | -77.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 958 | I | 32.3 | Very low | 40.5 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | trans | -115.4 | 110.5 | 164.4 | -66.2 | 176.4 | 0 | 0 | 0 | 106.6 | I960 | I958-I960 PolarHBondContact O-N 2.93Š| ||
| 959 | T | 28.3 | Very low | 43.7 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | trans | -56.4 | 120.6 | 156.8 | 48.5 | 0 | 0 | 0 | 0 | 106.7 | N961 | T959-N961 PolarHBondContact O-N 3.12Å; T959-N961 PolarHBondContact OG1-OD1 3.13Å | ||
| 960 | I | 39.1 | Very low | 46.9 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 82% | 0.821 | 62% | 0.624 | S | S | * | * | trans | -73.5 | 75.6 | 174.1 | -53.7 | 179.8 | 0 | 0 | 0 | 107.3 | I958 | I958-I960 PolarHBondContact O-N 2.93Š| ||
| 961 | N | 31.7 | Very low | 50.3 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | trans | -52.7 | 146.5 | 157.7 | -60.2 | -11.6 | 0 | 0 | 0 | 106.6 | T959 I963 | T959-N961 PolarHBondContact O-N 3.12Å; T959-N961 PolarHBondContact OG1-OD1 3.13Å; N961-I963 HydrophobicContact CB-CD1 3.95Å; N961-I963 HydrophobicContact CB-CG1 3.92Å; N961-I963 PolarHBondContact O-N 2.81Å | ||
| 962 | E | 38.7 | Very low | 53.6 | Low | 199 Ų | 199 | 103.1 Ų | 103.1 | 93% | 0.93 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -74.5 | 43.2 | -173 | -61.9 | 166.4 | 107.5 | 0 | 0 | 112.8 | D964 | E962-D964 VanDerWaalsContact C-N 3.33Å; E962-D964 PolarHBondContact O-N 3.25Å |
| 963 | I | 40.1 | Very low | 56.6 | Low | 138 Ų | 138 | 98 Ų | 98 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | trans | -95.6 | 70.6 | -174.8 | -51.8 | -179.7 | 0 | 0 | 0 | 109 | N961 | N961-I963 HydrophobicContact CB-CD1 3.95Å; N961-I963 HydrophobicContact CB-CG1 3.92Å; N961-I963 PolarHBondContact O-N 2.81Å | ||
| 964 | D | 51.5 | Low | 59.8 | Low | 55 Ų | 55 | 93.1 Ų | 93.1 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | 77.1 | 57.5 | 122.7 | -136.1 | -28.2 | 0 | 0 | 0 | 117.5 | E962 H966 Q967 | E962-D964 VanDerWaalsContact C-N 3.33Å; E962-D964 PolarHBondContact O-N 3.25Å; D964-H966 PolarHBondContact O-N 3.19Å; D964-H966 VanDerWaalsContact O-N 3.13Å; D964-H966 WeakPolarHBondContact OD1-CA 3.4Å; D964-H966 WeakPolarHBondContact OD1-CB 3.37Å; D964-H966 PolarHBondContact OD1-N 3.19Å; D964-H966 VanDerWaalsContact OD1-N 3.17Å; D964-Q967 HydrophobicContact CB-CB 3.98Å; D964-Q967 HydrophobicContact CB-CG 4.36Å; D964-Q967 PolarHBondContact O-N 2.94Å; D964-Q967 PolarHBondContact OD1-N 3.24Å; D964-Q967 WeakPolarHBondContact OD2-CG 3.33Å; D964-Q967 PolarHBondContact OD2-NE2 3.04Å | |||
| 965 | C | 51.6 | Low | 62.9 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.4 | 151.5 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | Q967 R984 | C965-Q967 VanDerWaalsContact C-N 3.27Å; C965-Q967 PolarHBondContact O-N 2.85Å; C965-R984 PolarHBondContact O-NH2 3.49Å |
| 966 | H | 60.5 | Low | 65.7 | Low | 112 Ų | 112 | 84.5 Ų | 84.5 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.7 | 169.7 | -51.3 | -90 | 0 | 0 | 0 | 113.8 | D964 R984 | D964-H966 PolarHBondContact O-N 3.19Å; D964-H966 VanDerWaalsContact O-N 3.13Å; D964-H966 WeakPolarHBondContact OD1-CA 3.4Å; D964-H966 WeakPolarHBondContact OD1-CB 3.37Å; D964-H966 PolarHBondContact OD1-N 3.19Å; D964-H966 VanDerWaalsContact OD1-N 3.17Å; H966-R984 WeakPolarHBondContact O-CD 3.24Å; H966-R984 PolarHBondContact O-NE 3.05Å; H966-R984 PolarHBondContact O-NH1 2.58Å |
| 967 | Q | 84.7 | Confident | 68.1 | Low | 70 Ų | 70 | 81.6 Ų | 81.6 | 33% | 0.327 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -17.6 | 175.5 | -101.2 | -171.5 | 72.8 | 0 | 0 | 115.1 | D964 C965 N975 A976 R984 | D964-Q967 HydrophobicContact CB-CB 3.98Å; D964-Q967 HydrophobicContact CB-CG 4.36Å; D964-Q967 PolarHBondContact O-N 2.94Å; D964-Q967 PolarHBondContact OD1-N 3.24Å; D964-Q967 WeakPolarHBondContact OD2-CG 3.33Å; D964-Q967 PolarHBondContact OD2-NE2 3.04Å; C965-Q967 VanDerWaalsContact C-N 3.27Å; C965-Q967 PolarHBondContact O-N 2.85Å; Q967-N975 WeakPolarHBondContact CB-OD1 3.28Å; Q967-N975 PolarHBondContact O-OD1 3.06Å; Q967-N975 VanDerWaalsContact O-OD1 3.05Å; Q967-N975 PolarHBondContact OE1-ND2 3.42Å; Q967-N975 PolarHBondContact OE1-OD1 2.74Å; Q967-A976 WeakPolarHBondContact O-CA 3.41Å; Q967-A976 VanDerWaalsContact O-CB 3.27Å; Q967-A976 WeakPolarHBondContact O-CB 3.44Å; Q967-A976 PolarHBondContact O-N 2.95Å; Q967-R984 PolarHBondContact O-NH1 3.4Å |
| 968 | L | 94.6 | Very high | 71 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 52% | 0.518 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -79.5 | 127.9 | -179.2 | -57.5 | -178.1 | 0 | 0 | 0 | 114.3 | L970 R984 | L968-L970 PolarHBondContact O-N 3.37Å; L968-R984 VanDerWaalsContact O-CZ 3.23Å; L968-R984 PolarHBondContact O-NH1 2.83Å; L968-R984 PolarHBondContact O-NH2 3.1Å |
| 969 | C | 97.2 | Very high | 73.9 | Confident | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.02 | 44% | 0.44 | C | S | . | . | trans | -60.9 | 119.1 | -177.1 | 172.5 | 0 | 0 | 0 | 0 | 113.3 | V971 C972 G973 D974 A976 T985 C986 | C969-V971 PolarHBondContact O-N 3.42Å; C969-C972 PolarHBondContact O-N 3.33Å; C969-C972 VanDerWaalsContact SG-SG 3.66Å; C969-G973 PolarHBondContact O-N 3.04Å; C969-D974 WeakPolarHBondContact CA-O 3.4Å; C969-D974 WeakPolarHBondContact CB-O 3.41Å; C969-D974 PolarHBondContact N-O 3.48Å; C969-A976 HydrophobicContact CB-CB 4.01Å; C969-T985 VanDerWaalsContact SG-CA 3.59Å; C969-C986 HydrophobicContact CB-CB 3.96Å; C969-C986 PolarHBondContact SG-N 3.19Å | ||
| 970 | L | 95.9 | Very high | 77 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.2 | -177.1 | -62.8 | 173.7 | 0 | 0 | 0 | 114.1 | L968 V983 R984 V1032 | L968-L970 PolarHBondContact O-N 3.37Å; L970-V983 HydrophobicContact CB-CG1 4.32Å; L970-V983 HydrophobicContact CD1-CG1 3.81Å; L970-R984 HydrophobicContact CD1-CB 4.4Å; L970-R984 PolarHBondContact N-O 3.06Å; L970-V1032 HydrophobicContact CB-CB 4.3Å; L970-V1032 HydrophobicContact CB-CG1 4.15Å |
| 971 | V | 97.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -32.6 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | C969 T985 C989 V1013 R1025 K1028 V1032 M1034 | C969-V971 PolarHBondContact O-N 3.42Å; V971-T985 HydrophobicContact CG2-CG2 3.8Å; V971-C989 HydrophobicContact CB-CB 4.29Å; V971-C989 HydrophobicContact CG1-CB 4.38Å; V971-C989 HydrophobicContact CG2-CB 4.47Å; V971-V1013 HydrophobicContact CG1-CG1 4.18Å; V971-V1013 WeakPolarHBondContact O-CG1 3.2Å; V971-V1013 VanDerWaalsContact O-O 3.13Å; V971-R1025 HydrophobicContact CG1-CG 4.35Å; V971-K1028 VanDerWaalsContact O-CD 3.23Å; V971-K1028 WeakPolarHBondContact O-CD 3.37Å; V971-K1028 WeakPolarHBondContact O-CE 3.21Å; V971-K1028 PolarHBondContact O-NZ 3.31Å; V971-V1032 HydrophobicContact CG2-CG2 3.58Å; V971-M1034 HydrophobicContact CG2-SD 4.04Å |
| 972 | C | 97.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -155.3 | 7.9 | -167.9 | 68.2 | 0 | 0 | 0 | 0 | 118.1 | C969 D974 C986 C989 V1013 D1014 K1015 R1018 | C969-C972 PolarHBondContact O-N 3.33Å; C969-C972 VanDerWaalsContact SG-SG 3.66Å; C972-D974 PolarHBondContact O-N 3.36Å; C972-D974 VanDerWaalsContact O-N 3.14Å; C972-C986 VanDerWaalsContact SG-SG 3.64Å; C972-C989 VanDerWaalsContact SG-SG 3.61Å; C972-V1013 WeakPolarHBondContact CA-O 3.42Å; C972-V1013 HydrophobicContact CB-CG1 4.31Å; C972-D1014 CarbonylContact O-C 3.37Å; C972-D1014 WeakPolarHBondContact O-CA 3.42Å; C972-K1015 PolarHBondContact O-N 3.34Å; C972-R1018 HydrophobicContact CB-CB 4.24Å; C972-R1018 PolarHBondContact SG-NH1 3.47Å; C972-R1018 VanDerWaalsContact SG-NH1 3.35Å |
| 973 | G | 96 | Very high | 85.2 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 71 | -0.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | C969 | C969-G973 PolarHBondContact O-N 3.04Š|
| 974 | D | 96.2 | Very high | 87.8 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -74.1 | 156.1 | 173.3 | -165.1 | 15.7 | 0 | 0 | 0 | 111.8 | C969 C972 A976 C986 K1015 R1018 | C969-D974 WeakPolarHBondContact CA-O 3.4Å; C969-D974 WeakPolarHBondContact CB-O 3.41Å; C969-D974 PolarHBondContact N-O 3.48Å; C972-D974 PolarHBondContact O-N 3.36Å; C972-D974 VanDerWaalsContact O-N 3.14Å; D974-A976 PolarHBondContact O-N 3.23Å; D974-C986 HydrophobicContact CB-CB 4.12Å; D974-K1015 HydrophobicContact CB-CB 4.1Å; D974-K1015 HydrophobicContact CB-CD 4.02Å; D974-K1015 HydrophobicContact CB-CG 3.92Å; D974-K1015 VanDerWaalsContact OD1-CD 3.27Å; D974-K1015 WeakPolarHBondContact OD1-CD 3.42Å; D974-K1015 WeakPolarHBondContact OD1-CE 3.42Å; D974-K1015 IonicContact OD1-NZ 2.74Å; D974-K1015 PolarHBondContact OD1-NZ 3.13Å; D974-R1018 VanDerWaalsContact CB-NH1 3.35Å; D974-R1018 IonicContact OD2-CZ 2.7Å; D974-R1018 IonicContact OD2-NH1 2.61Å; D974-R1018 PolarHBondContact OD2-NH1 2.9Å; D974-R1018 IonicContact OD2-NH2 3.48Å; D974-R1018 PolarHBondContact OD2-NH2 3.5Å |
| 975 | N | 94.5 | Very high | 89.9 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 139.2 | -174.2 | -162.7 | 8 | 0 | 0 | 0 | 112.2 | Q967 C986 | Q967-N975 WeakPolarHBondContact CB-OD1 3.28Å; Q967-N975 PolarHBondContact O-OD1 3.06Å; Q967-N975 VanDerWaalsContact O-OD1 3.05Å; Q967-N975 PolarHBondContact OE1-ND2 3.42Å; Q967-N975 PolarHBondContact OE1-OD1 2.74Å; N975-C986 WeakPolarHBondContact O-CB 3.47Å |
| 976 | A | 93.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | trans | -131.8 | 90.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q967 C969 D974 C978 T985 | Q967-A976 WeakPolarHBondContact O-CA 3.41Å; Q967-A976 VanDerWaalsContact O-CB 3.27Å; Q967-A976 WeakPolarHBondContact O-CB 3.44Å; Q967-A976 PolarHBondContact O-N 2.95Å; C969-A976 HydrophobicContact CB-CB 4.01Å; D974-A976 PolarHBondContact O-N 3.23Å; A976-C978 PolarHBondContact O-N 2.73Å; A976-C978 VanDerWaalsContact O-N 3.09Å; A976-T985 WeakPolarHBondContact CB-O 3.41Å | ||
| 977 | A | 80.6 | Confident | 93.8 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 80% | 0.802 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -60.1 | -18.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 978 | C | 88.2 | Confident | 94.3 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 45% | 0.446 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -161.2 | -169.7 | 173.7 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | A976 H980 T985 | A976-C978 PolarHBondContact O-N 2.73Å; A976-C978 VanDerWaalsContact O-N 3.09Å; C978-H980 PolarHBondContact SG-CE1 3.24Å; C978-T985 PolarHBondContact O-N 2.88Å |
| 979 | Q | 93.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 38 Ų | 38 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.7 | 172.8 | -60.2 | -174.2 | 18.2 | 0 | 0 | 111.7 | V983 R984 | Q979-V983 WeakPolarHBondContact CA-O 3.49Å; Q979-R984 HydrophobicContact CG-CB 4.42Å; Q979-R984 HydrophobicContact CG-CG 4.22Å |
| 980 | H | 95 | Very high | 94.5 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.5 | 171.8 | -50.9 | -50.9 | 0 | 0 | 0 | 109.8 | C978 G982 V983 T985 E987 K990 | C978-H980 PolarHBondContact SG-CE1 3.24Å; H980-G982 PolarHBondContact O-N 3.48Å; H980-V983 PolarHBondContact N-O 3.3Å; H980-V983 PolarHBondContact O-N 2.65Å; H980-T985 PolarHBondContact CD2-O 2.73Å; H980-T985 PolarHBondContact NE2-O 2.71Å; H980-E987 IonicContact CE1-OE1 3.6Å; H980-E987 PolarHBondContact CE1-OE1 3.1Å; H980-E987 IonicContact NE2-OE1 3.78Å; H980-E987 PolarHBondContact NE2-OE1 2.8Å; H980-K990 HydrophobicContact CB-CB 4.06Å; H980-K990 HydrophobicContact CB-CG 3.91Å; H980-K990 VanDerWaalsContact CD2-CB 3.48Å; H980-K990 WeakPolarHBondContact CD2-CB 3.38Å |
| 981 | Y | 95.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.5 | 179.4 | -49.6 | -71.6 | 0 | 0 | 0 | 113.1 | K990 F993 M1034 V1035 V1038 V1039 | Y981-K990 HydrophobicContact CD2-CG 4.5Å; Y981-K990 HydrophobicContact CE2-CB 4.4Å; Y981-K990 HydrophobicContact CE2-CG 3.76Å; Y981-F993 HydrophobicContact CD1-CD1 4.44Å; Y981-F993 HydrophobicContact CD1-CE1 4.49Å; Y981-F993 AromaticContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CE1 4.44Å; Y981-F993 HydrophobicContact CE2-CD1 4.31Å; Y981-F993 AromaticContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CE1 4.06Å; Y981-M1034 HydrophobicContact CD2-CE 3.77Å; Y981-M1034 HydrophobicContact CG-CE 4.41Å; Y981-M1034 WeakPolarHBondContact O-CA 3.44Å; Y981-V1035 WeakPolarHBondContact O-CG2 3.49Å; Y981-V1035 PolarHBondContact O-N 2.97Å; Y981-V1038 HydrophobicContact CD1-CB 4.14Å; Y981-V1038 HydrophobicContact CD1-CG1 3.76Å; Y981-V1038 HydrophobicContact CE1-CG1 4.28Å; Y981-V1039 HydrophobicContact CD1-CG2 3.69Å; Y981-V1039 HydrophobicContact CE1-CB 4.46Å; Y981-V1039 HydrophobicContact CE1-CG2 3.63Å; Y981-V1039 HydrophobicContact CG-CG2 4.39Å |
| 982 | G | 91.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -15.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H980 R1056 | H980-G982 PolarHBondContact O-N 3.48Å; G982-R1056 PolarHBondContact O-NH2 3.48Å |
| 983 | V | 93.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.2 | -168.1 | -167.5 | 0 | 0 | 0 | 0 | 113 | L970 Q979 H980 T985 V1032 G1033 M1034 | L970-V983 HydrophobicContact CB-CG1 4.32Å; L970-V983 HydrophobicContact CD1-CG1 3.81Å; Q979-V983 WeakPolarHBondContact CA-O 3.49Å; H980-V983 PolarHBondContact N-O 3.3Å; H980-V983 PolarHBondContact O-N 2.65Å; V983-T985 HydrophobicContact CB-CG2 4.1Å; V983-T985 HydrophobicContact CG1-CG2 4Å; V983-T985 PolarHBondContact O-N 3.4Å; V983-T985 PolarHBondContact O-OG1 3.39Å; V983-T985 VanDerWaalsContact O-OG1 3.08Å; V983-V1032 HydrophobicContact CG1-CB 4.15Å; V983-V1032 HydrophobicContact CG1-CG2 3.79Å; V983-V1032 WeakPolarHBondContact CG1-O 3.4Å; V983-V1032 HydrophobicContact CG2-CG2 4.47Å; V983-V1032 WeakPolarHBondContact CG2-O 3.3Å; V983-G1033 VanDerWaalsContact CG2-O 3.27Å; V983-G1033 WeakPolarHBondContact CG2-O 3.17Å; V983-M1034 HydrophobicContact CB-CG 3.94Å; V983-M1034 HydrophobicContact CG2-CB 4.36Å; V983-M1034 HydrophobicContact CG2-CG 3.75Å |
| 984 | R | 94.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 103 | 175 | -134.3 | 171.9 | 53.8 | 44.3 | 3.3 | 110.9 | C965 H966 Q967 L968 L970 Q979 | C965-R984 PolarHBondContact O-NH2 3.49Å; H966-R984 WeakPolarHBondContact O-CD 3.24Å; H966-R984 PolarHBondContact O-NE 3.05Å; H966-R984 PolarHBondContact O-NH1 2.58Å; Q967-R984 PolarHBondContact O-NH1 3.4Å; L968-R984 VanDerWaalsContact O-CZ 3.23Å; L968-R984 PolarHBondContact O-NH1 2.83Å; L968-R984 PolarHBondContact O-NH2 3.1Å; L970-R984 HydrophobicContact CD1-CB 4.4Å; L970-R984 PolarHBondContact N-O 3.06Å; Q979-R984 HydrophobicContact CG-CB 4.42Å; Q979-R984 HydrophobicContact CG-CG 4.22Å |
| 985 | T | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -146.9 | 151 | -168.7 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | C969 V971 A976 C978 H980 V983 M1034 | C969-T985 VanDerWaalsContact SG-CA 3.59Å; V971-T985 HydrophobicContact CG2-CG2 3.8Å; A976-T985 WeakPolarHBondContact CB-O 3.41Å; C978-T985 PolarHBondContact O-N 2.88Å; H980-T985 PolarHBondContact CD2-O 2.73Å; H980-T985 PolarHBondContact NE2-O 2.71Å; V983-T985 HydrophobicContact CB-CG2 4.1Å; V983-T985 HydrophobicContact CG1-CG2 4Å; V983-T985 PolarHBondContact O-N 3.4Å; V983-T985 PolarHBondContact O-OG1 3.39Å; V983-T985 VanDerWaalsContact O-OG1 3.08Å; T985-M1034 HydrophobicContact CG2-CE 4.27Å; T985-M1034 HydrophobicContact CG2-SD 3.95Å | ||
| 986 | C | 97.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | trans | -75 | 155.1 | 176 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | C969 C972 D974 N975 G988 C989 K990 R1018 | C969-C986 HydrophobicContact CB-CB 3.96Å; C969-C986 PolarHBondContact SG-N 3.19Å; C972-C986 VanDerWaalsContact SG-SG 3.64Å; D974-C986 HydrophobicContact CB-CB 4.12Å; N975-C986 WeakPolarHBondContact O-CB 3.47Å; C986-G988 PolarHBondContact O-N 3.14Å; C986-G988 VanDerWaalsContact O-N 3.08Å; C986-C989 PolarHBondContact O-N 3.32Å; C986-K990 PolarHBondContact O-N 3.27Å; C986-R1018 PolarHBondContact SG-NH1 3.24Å | ||
| 987 | E | 96.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -48.2 | -38.3 | 174.8 | -72.6 | -65 | 142.7 | 0 | 0 | 113.4 | H980 C989 K990 G991 | H980-E987 IonicContact CE1-OE1 3.6Å; H980-E987 PolarHBondContact CE1-OE1 3.1Å; H980-E987 IonicContact NE2-OE1 3.78Å; H980-E987 PolarHBondContact NE2-OE1 2.8Å; E987-C989 VanDerWaalsContact C-N 3.33Å; E987-C989 PolarHBondContact O-N 3.05Å; E987-K990 PolarHBondContact O-N 3.2Å; E987-K990 IonicContact OE1-NZ 3.37Å; E987-K990 PolarHBondContact OE1-NZ 3.33Å; E987-K990 WeakPolarHBondContact OE2-CD 3.45Å; E987-K990 WeakPolarHBondContact OE2-CE 3.12Å; E987-K990 IonicContact OE2-NZ 3.73Å; E987-K990 PolarHBondContact OE2-NZ 2.9Å; E987-G991 PolarHBondContact O-N 3.5Å |
| 988 | G | 96.5 | Very high | 95.3 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 32% | 0.32 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -33.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C986 F992 R1025 | C986-G988 PolarHBondContact O-N 3.14Å; C986-G988 VanDerWaalsContact O-N 3.08Å; G988-F992 WeakPolarHBondContact O-CB 3.46Å; G988-F992 PolarHBondContact O-N 3.29Å; G988-R1025 PolarHBondContact O-NH2 3.13Å |
| 989 | C | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -87 | -37.3 | 177.3 | -72 | 0 | 0 | 0 | 0 | 112.1 | V971 C972 C986 E987 F992 F993 R1025 | V971-C989 HydrophobicContact CB-CB 4.29Å; V971-C989 HydrophobicContact CG1-CB 4.38Å; V971-C989 HydrophobicContact CG2-CB 4.47Å; C972-C989 VanDerWaalsContact SG-SG 3.61Å; C986-C989 PolarHBondContact O-N 3.32Å; E987-C989 VanDerWaalsContact C-N 3.33Å; E987-C989 PolarHBondContact O-N 3.05Å; C989-F992 PolarHBondContact O-N 3.31Å; C989-F993 WeakPolarHBondContact O-CB 3.44Å; C989-F993 PolarHBondContact O-N 3.22Å; C989-R1025 PolarHBondContact SG-NH2 3.34Å; C989-R1025 VanDerWaalsContact SG-NH2 3.36Å |
| 990 | K | 96.5 | Very high | 95.5 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -51 | -54.1 | 166.6 | 173.1 | -153.4 | -164.5 | 178.4 | 0 | 112.1 | H980 Y981 C986 E987 F992 F993 K994 | H980-K990 HydrophobicContact CB-CB 4.06Å; H980-K990 HydrophobicContact CB-CG 3.91Å; H980-K990 VanDerWaalsContact CD2-CB 3.48Å; H980-K990 WeakPolarHBondContact CD2-CB 3.38Å; Y981-K990 HydrophobicContact CD2-CG 4.5Å; Y981-K990 HydrophobicContact CE2-CB 4.4Å; Y981-K990 HydrophobicContact CE2-CG 3.76Å; C986-K990 PolarHBondContact O-N 3.27Å; E987-K990 PolarHBondContact O-N 3.2Å; E987-K990 IonicContact OE1-NZ 3.37Å; E987-K990 PolarHBondContact OE1-NZ 3.33Å; E987-K990 WeakPolarHBondContact OE2-CD 3.45Å; E987-K990 WeakPolarHBondContact OE2-CE 3.12Å; E987-K990 IonicContact OE2-NZ 3.73Å; E987-K990 PolarHBondContact OE2-NZ 2.9Å; K990-F992 PolarHBondContact O-N 3.09Å; K990-F993 PolarHBondContact O-N 2.87Å; K990-K994 PolarHBondContact O-N 3.32Å |
| 991 | G | 96.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E987 R995 | E987-G991 PolarHBondContact O-N 3.5Å; G991-R995 WeakPolarHBondContact O-CG 3.4Å; G991-R995 PolarHBondContact O-N 3.11Å; G991-R995 PolarHBondContact O-NE 3Å; G991-R995 PolarHBondContact O-NH1 2.87Å |
| 992 | F | 98.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 172.6 | 171.7 | -97.1 | 0 | 0 | 0 | 111.8 | G988 C989 K990 R995 T996 Y1003 Q1022 R1025 F1026 | G988-F992 WeakPolarHBondContact O-CB 3.46Å; G988-F992 PolarHBondContact O-N 3.29Å; C989-F992 PolarHBondContact O-N 3.31Å; K990-F992 PolarHBondContact O-N 3.09Å; F992-R995 PolarHBondContact O-N 3.44Å; F992-T996 PolarHBondContact O-N 3.18Å; F992-T996 PolarHBondContact O-OG1 2.94Å; F992-Y1003 AromaticContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CZ-CD2 4.31Å; F992-Y1003 AromaticContact CZ-CE2 3.61Å; F992-Y1003 HydrophobicContact CZ-CE2 3.61Å; F992-Q1022 HydrophobicContact CE2-CB 4.15Å; F992-Q1022 HydrophobicContact CE2-CG 4.21Å; F992-Q1022 HydrophobicContact CZ-CB 4.3Å; F992-Q1022 WeakPolarHBondContact CZ-O 3.39Å; F992-R1025 VanDerWaalsContact CD1-CD 3.48Å; F992-R1025 HydrophobicContact CD1-CG 4.05Å; F992-R1025 HydrophobicContact CE1-CB 4.11Å; F992-R1025 HydrophobicContact CE1-CG 3.85Å; F992-R1025 HydrophobicContact CZ-CB 4.23Å; F992-R1025 HydrophobicContact CZ-CG 4.34Å; F992-F1026 HydrophobicContact CE1-CB 3.81Å; F992-F1026 HydrophobicContact CE1-CD2 4.31Å; F992-F1026 HydrophobicContact CZ-CB 3.97Å |
| 993 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | -179.9 | -172.8 | -100.9 | 0 | 0 | 0 | 111.7 | Y981 C989 K990 R995 T996 I997 F1026 C1029 L1030 M1034 V1035 K1036 V1039 | Y981-F993 HydrophobicContact CD1-CD1 4.44Å; Y981-F993 HydrophobicContact CD1-CE1 4.49Å; Y981-F993 AromaticContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CE1 4.44Å; Y981-F993 HydrophobicContact CE2-CD1 4.31Å; Y981-F993 AromaticContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CE1 4.06Å; C989-F993 WeakPolarHBondContact O-CB 3.44Å; C989-F993 PolarHBondContact O-N 3.22Å; K990-F993 PolarHBondContact O-N 2.87Å; F993-R995 PolarHBondContact O-N 3.2Å; F993-T996 PolarHBondContact O-N 3.14Å; F993-I997 HydrophobicContact CD1-CG1 4.41Å; F993-I997 HydrophobicContact CE1-CG1 4.03Å; F993-I997 HydrophobicContact CE2-CD1 4.33Å; F993-I997 HydrophobicContact CE2-CG1 4.24Å; F993-I997 HydrophobicContact CZ-CD1 4.24Å; F993-I997 HydrophobicContact CZ-CG1 3.93Å; F993-I997 PolarHBondContact O-N 3.43Å; F993-I997 VanDerWaalsContact O-N 3.07Å; F993-F1026 HydrophobicContact CD2-CD2 4.14Å; F993-F1026 AromaticContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CE2-CD2 4.4Å; F993-F1026 AromaticContact CE2-CE2 3.75Å; F993-F1026 HydrophobicContact CE2-CE2 3.75Å; F993-C1029 HydrophobicContact CD2-CB 3.74Å; F993-C1029 HydrophobicContact CE2-CB 4.24Å; F993-L1030 HydrophobicContact CE2-CD2 4.04Å; F993-M1034 HydrophobicContact CB-CE 3.74Å; F993-M1034 HydrophobicContact CB-SD 4.26Å; F993-M1034 HydrophobicContact CD1-CB 4.31Å; F993-M1034 HydrophobicContact CD1-CE 3.97Å; F993-M1034 HydrophobicContact CD2-CB 3.92Å; F993-M1034 HydrophobicContact CD2-CE 4.4Å; F993-M1034 HydrophobicContact CD2-SD 4.21Å; F993-M1034 HydrophobicContact CE1-CB 4.03Å; F993-M1034 HydrophobicContact CE2-CB 3.62Å; F993-M1034 HydrophobicContact CG-CB 4.26Å; F993-M1034 HydrophobicContact CG-CE 3.78Å; F993-M1034 HydrophobicContact CG-SD 4.17Å; F993-M1034 HydrophobicContact CZ-CB 3.69Å; F993-M1034 WeakPolarHBondContact CZ-O 3.1Å; F993-V1035 WeakPolarHBondContact CE1-O 3.33Å; F993-K1036 HydrophobicContact CZ-CB 4.26Å; F993-V1039 HydrophobicContact CD1-CG2 3.8Å; F993-V1039 HydrophobicContact CE1-CG2 3.58Å |
| 994 | K | 96.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.1 | -51.9 | 174.6 | -169.2 | -171.9 | -170.9 | -93.2 | 0 | 111.3 | K990 T996 Q998 V1039 D1042 | K990-K994 PolarHBondContact O-N 3.32Å; K994-T996 VanDerWaalsContact C-N 3.33Å; K994-T996 PolarHBondContact O-N 2.7Å; K994-Q998 HydrophobicContact CG-CG 4.29Å; K994-Q998 WeakPolarHBondContact O-CB 3.44Å; K994-Q998 VanDerWaalsContact O-CG 3.27Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.44Å; K994-V1039 HydrophobicContact CG-CG1 3.98Å; K994-D1042 IonicContact NZ-OD1 2.63Å; K994-D1042 IonicContact NZ-OD2 2.79Å; K994-D1042 PolarHBondContact NZ-OD2 2.82Å |
| 995 | R | 96.3 | Very high | 96 | Very high | 148 Ų | 148 | 57.5 Ų | 57.5 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64 | -36.5 | -178.8 | -72.9 | -172.9 | -60 | -97.8 | 4.6 | 112.8 | G991 F992 F993 K999 | G991-R995 WeakPolarHBondContact O-CG 3.4Å; G991-R995 PolarHBondContact O-N 3.11Å; G991-R995 PolarHBondContact O-NE 3Å; G991-R995 PolarHBondContact O-NH1 2.87Å; F992-R995 PolarHBondContact O-N 3.44Å; F993-R995 PolarHBondContact O-N 3.2Å; R995-K999 WeakPolarHBondContact O-CB 3.49Å; R995-K999 WeakPolarHBondContact O-CG 3.34Å; R995-K999 PolarHBondContact O-N 3.35Å; R995-K999 VanDerWaalsContact O-N 3.14Å |
| 996 | T | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -53.7 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | F992 F993 K994 N1000 A1001 Y1003 F1026 | F992-T996 PolarHBondContact O-N 3.18Å; F992-T996 PolarHBondContact O-OG1 2.94Å; F993-T996 PolarHBondContact O-N 3.14Å; K994-T996 VanDerWaalsContact C-N 3.33Å; K994-T996 PolarHBondContact O-N 2.7Å; T996-N1000 PolarHBondContact O-N 3.42Å; T996-N1000 VanDerWaalsContact O-N 3.12Å; T996-A1001 HydrophobicContact CG2-CB 4.33Å; T996-A1001 PolarHBondContact O-N 3.4Å; T996-Y1003 HydrophobicContact CG2-CD2 4.25Å; T996-Y1003 HydrophobicContact CG2-CE2 3.51Å; T996-Y1003 PolarHBondContact OG1-OH 3.36Å; T996-F1026 HydrophobicContact CG2-CD1 4.02Å; T996-F1026 HydrophobicContact CG2-CD2 3.58Å; T996-F1026 HydrophobicContact CG2-CE1 4Å; T996-F1026 HydrophobicContact CG2-CE2 3.56Å; T996-F1026 HydrophobicContact CG2-CG 3.82Å; T996-F1026 HydrophobicContact CG2-CZ 3.78Å |
| 997 | I | 95.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | -179.1 | -56.2 | -56.5 | 0 | 0 | 0 | 111.7 | F993 K999 N1000 F1026 K1036 V1039 | F993-I997 HydrophobicContact CD1-CG1 4.41Å; F993-I997 HydrophobicContact CE1-CG1 4.03Å; F993-I997 HydrophobicContact CE2-CD1 4.33Å; F993-I997 HydrophobicContact CE2-CG1 4.24Å; F993-I997 HydrophobicContact CZ-CD1 4.24Å; F993-I997 HydrophobicContact CZ-CG1 3.93Å; F993-I997 PolarHBondContact O-N 3.43Å; F993-I997 VanDerWaalsContact O-N 3.07Å; I997-K999 VanDerWaalsContact C-N 3.33Å; I997-K999 PolarHBondContact O-N 2.99Å; I997-N1000 PolarHBondContact O-N 3.08Å; I997-N1000 VanDerWaalsContact O-N 3.09Å; I997-F1026 HydrophobicContact CD1-CE2 3.72Å; I997-F1026 HydrophobicContact CD1-CZ 3.55Å; I997-F1026 HydrophobicContact CG1-CE2 4.46Å; I997-K1036 HydrophobicContact CD1-CB 3.64Å; I997-K1036 HydrophobicContact CG1-CB 4.04Å; I997-K1036 HydrophobicContact CG2-CB 4.33Å; I997-V1039 HydrophobicContact CB-CB 3.96Å; I997-V1039 HydrophobicContact CB-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CG2 4.1Å; I997-V1039 HydrophobicContact CG1-CB 4.46Å; I997-V1039 HydrophobicContact CG1-CG2 4.09Å; I997-V1039 HydrophobicContact CG2-CB 3.81Å; I997-V1039 HydrophobicContact CG2-CG1 4.13Å; I997-V1039 HydrophobicContact CG2-CG2 4.34Å |
| 998 | Q | 93.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.9 | -30.9 | -178 | -71.8 | -172.8 | -42.3 | 0 | 0 | 114 | K994 V1039 R1040 D1042 | K994-Q998 HydrophobicContact CG-CG 4.29Å; K994-Q998 WeakPolarHBondContact O-CB 3.44Å; K994-Q998 VanDerWaalsContact O-CG 3.27Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.44Å; Q998-V1039 HydrophobicContact CG-CG1 3.56Å; Q998-R1040 PolarHBondContact NE2-O 3.42Å; Q998-D1042 VanDerWaalsContact CD-OD2 3.29Å; Q998-D1042 PolarHBondContact NE2-OD1 2.88Å; Q998-D1042 VanDerWaalsContact NE2-OD1 3.14Å; Q998-D1042 PolarHBondContact NE2-OD2 2.83Å; Q998-D1042 PolarHBondContact OE1-OD2 2.88Å |
| 999 | K | 93.7 | Very high | 95.5 | Very high | 170 Ų | 170 | 72.2 Ų | 72.2 | 74% | 0.739 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.2 | 173.9 | -66.1 | -168.4 | 172.5 | -161.1 | 0 | 113.3 | R995 I997 A1001 | R995-K999 WeakPolarHBondContact O-CB 3.49Å; R995-K999 WeakPolarHBondContact O-CG 3.34Å; R995-K999 PolarHBondContact O-N 3.35Å; R995-K999 VanDerWaalsContact O-N 3.14Å; I997-K999 VanDerWaalsContact C-N 3.33Å; I997-K999 PolarHBondContact O-N 2.99Å; K999-A1001 HydrophobicContact CB-CB 4.16Å; K999-A1001 PolarHBondContact O-N 3.16Å; K999-A1001 VanDerWaalsContact O-N 3.15Å |
| 1000 | N | 91.5 | Very high | 95.4 | Very high | 124 Ų | 124 | 76 Ų | 76 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 36.5 | -166.9 | -164.8 | 34.2 | 0 | 0 | 0 | 112.9 | T996 I997 Q1002 | T996-N1000 PolarHBondContact O-N 3.42Å; T996-N1000 VanDerWaalsContact O-N 3.12Å; I997-N1000 PolarHBondContact O-N 3.08Å; I997-N1000 VanDerWaalsContact O-N 3.09Å; N1000-Q1002 PolarHBondContact O-N 2.84Å; N1000-Q1002 PolarHBondContact O-NE2 3.38Å |
| 1001 | A | 94.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | trans | -71.4 | 114.2 | -164 | 0 | 0 | 0 | 0 | 0 | 111.3 | T996 K999 Y1003 | T996-A1001 HydrophobicContact CG2-CB 4.33Å; T996-A1001 PolarHBondContact O-N 3.4Å; K999-A1001 HydrophobicContact CB-CB 4.16Å; K999-A1001 PolarHBondContact O-N 3.16Å; K999-A1001 VanDerWaalsContact O-N 3.15Å; A1001-Y1003 HydrophobicContact CB-CE1 4.09Å | ||
| 1002 | Q | 94.3 | Very high | 95.4 | Very high | 155 Ų | 155 | 77.5 Ų | 77.5 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | trans | -80.4 | 138.2 | 171.6 | -56 | -53.1 | -41.1 | 0 | 0 | 109.7 | N1000 | N1000-Q1002 PolarHBondContact O-N 2.84Å; N1000-Q1002 PolarHBondContact O-NE2 3.38Å | ||
| 1003 | Y | 97.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | trans | -123.9 | 149.6 | 178 | -61.2 | -48.1 | 0 | 0 | 0 | 110 | F992 T996 A1001 Q1022 Y1023 F1026 | F992-Y1003 AromaticContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CZ-CD2 4.31Å; F992-Y1003 AromaticContact CZ-CE2 3.61Å; F992-Y1003 HydrophobicContact CZ-CE2 3.61Å; T996-Y1003 HydrophobicContact CG2-CD2 4.25Å; T996-Y1003 HydrophobicContact CG2-CE2 3.51Å; T996-Y1003 PolarHBondContact OG1-OH 3.36Å; A1001-Y1003 HydrophobicContact CB-CE1 4.09Å; Y1003-Q1022 HydrophobicContact CD1-CB 3.82Å; Y1003-Q1022 HydrophobicContact CD2-CB 3.85Å; Y1003-Q1022 HydrophobicContact CE1-CB 3.98Å; Y1003-Q1022 HydrophobicContact CE2-CB 3.98Å; Y1003-Q1022 HydrophobicContact CG-CB 3.76Å; Y1003-Y1023 WeakPolarHBondContact O-CD2 3.46Å; Y1003-F1026 HydrophobicContact CD2-CB 4.11Å; Y1003-F1026 HydrophobicContact CE2-CB 4.39Å | ||
| 1004 | V | 95.5 | Very high | 95.3 | Very high | 123 Ų | 123 | 80 Ų | 80 | 75% | 0.745 | 41% | 0.407 | S | S | * | . | trans | -116 | 149.6 | 172 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1005 | C | 97.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 82.5 Ų | 82.5 | 12% | 0.122 | 42% | 0.418 | C | S | . | . | trans | -92.6 | 133.8 | 170.9 | -166.1 | 0 | 0 | 0 | 0 | 109.6 | Q1007 K1009 C1011 Y1023 | C1005-Q1007 PolarHBondContact O-N 3.21Å; C1005-Q1007 PolarHBondContact SG-N 3.01Å; C1005-Q1007 PolarHBondContact SG-O 3.43Å; C1005-K1009 HydrophobicContact CB-CG 3.94Å; C1005-C1011 VanDerWaalsContact SG-SG 3.66Å; C1005-Y1023 HydrophobicContact CB-CD1 3.73Å; C1005-Y1023 HydrophobicContact CB-CE1 4.4Å; C1005-Y1023 HydrophobicContact CB-CG 4.16Å | ||
| 1006 | L | 94.6 | Very high | 95.2 | Very high | 154 Ų | 154 | 86.2 Ų | 86.2 | 81% | 0.806 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -90 | 16.6 | 174.2 | -55.3 | 178.3 | 0 | 0 | 0 | 112 | ||
| 1007 | Q | 93 | Very high | 95.1 | Very high | 95 Ų | 95 | 91.3 Ų | 91.3 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -147.6 | -171.8 | -179.9 | -64.5 | 89.7 | 16.7 | 0 | 0 | 108.7 | C1005 K1009 C1011 | C1005-Q1007 PolarHBondContact O-N 3.21Å; C1005-Q1007 PolarHBondContact SG-N 3.01Å; C1005-Q1007 PolarHBondContact SG-O 3.43Å; Q1007-K1009 PolarHBondContact O-N 3.03Å; Q1007-C1011 PolarHBondContact OE1-SG 3.46Å |
| 1008 | A | 93.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 91.7 Ų | 91.7 | 55% | 0.554 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -71.2 | 38.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P890 N1010 | P890-A1008 HydrophobicContact CG-CB 4.26Å; A1008-N1010 WeakPolarHBondContact O-CB 3.35Å; A1008-N1010 PolarHBondContact O-N 2.72Å; A1008-N1010 PolarHBondContact O-OD1 3.42Å |
| 1009 | K | 94.9 | Very high | 95.2 | Very high | 144 Ų | 144 | 95.2 Ų | 95.2 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 57.5 | 7.9 | 176.4 | -67.4 | 179.4 | 177.5 | 173.7 | 0 | 116.2 | C1005 Q1007 Y1023 C1024 | C1005-K1009 HydrophobicContact CB-CG 3.94Å; Q1007-K1009 PolarHBondContact O-N 3.03Å; K1009-Y1023 HydrophobicContact CB-CE1 3.84Å; K1009-Y1023 HydrophobicContact CD-CE1 4Å; K1009-Y1023 HydrophobicContact CG-CD1 4.32Å; K1009-Y1023 HydrophobicContact CG-CE1 3.63Å; K1009-C1024 PolarHBondContact O-SG 3.28Å |
| 1010 | N | 95.7 | Very high | 95.3 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | trans | -113.7 | 11.9 | -168.8 | 70.5 | -36.5 | 0 | 0 | 0 | 114.6 | P890 A1008 V1012 | P890-N1010 WeakPolarHBondContact CD-ND2 3.41Å; P890-N1010 HydrophobicContact CG-CB 4.37Å; P890-N1010 WeakPolarHBondContact CG-ND2 3.33Å; A1008-N1010 WeakPolarHBondContact O-CB 3.35Å; A1008-N1010 PolarHBondContact O-N 2.72Å; A1008-N1010 PolarHBondContact O-OD1 3.42Å; N1010-V1012 PolarHBondContact O-N 3.46Å | ||
| 1011 | C | 97.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 92 Ų | 92 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | trans | -58.6 | 128.7 | -169.8 | -58 | 0 | 0 | 0 | 0 | 112.9 | C1005 Q1007 V1013 C1021 C1024 | C1005-C1011 VanDerWaalsContact SG-SG 3.66Å; Q1007-C1011 PolarHBondContact OE1-SG 3.46Å; C1011-V1013 VanDerWaalsContact O-CG2 3.3Å; C1011-V1013 WeakPolarHBondContact O-CG2 3.26Å; C1011-V1013 PolarHBondContact O-N 3.05Å; C1011-C1021 HydrophobicContact CB-CB 3.72Å; C1011-C1024 HydrophobicContact CB-CB 3.9Å; C1011-C1024 PolarHBondContact N-SG 3.48Å; C1011-C1024 WeakPolarHBondContact O-CB 3.37Å | ||
| 1012 | V | 96 | Very high | 95.7 | Very high | 83 Ų | 83 | 95.6 Ų | 95.6 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -65.1 | 131 | -174.2 | -158.3 | 0 | 0 | 0 | 0 | 112 | N1010 D1014 | N1010-V1012 PolarHBondContact O-N 3.46Å; V1012-D1014 WeakPolarHBondContact CG1-OD1 3.32Å | ||
| 1013 | V | 97.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 90.4 Ų | 90.4 | 6% | 0.055 | 43% | 0.433 | C | S | . | . | trans | -115.3 | 93.1 | -172.3 | -173 | 0 | 0 | 0 | 0 | 110.5 | V971 C972 C1011 R1018 C1024 R1025 K1028 | V971-V1013 HydrophobicContact CG1-CG1 4.18Å; V971-V1013 WeakPolarHBondContact O-CG1 3.2Å; V971-V1013 VanDerWaalsContact O-O 3.13Å; C972-V1013 WeakPolarHBondContact CA-O 3.42Å; C972-V1013 HydrophobicContact CB-CG1 4.31Å; C1011-V1013 VanDerWaalsContact O-CG2 3.3Å; C1011-V1013 WeakPolarHBondContact O-CG2 3.26Å; C1011-V1013 PolarHBondContact O-N 3.05Å; V1013-R1018 HydrophobicContact CG1-CB 3.97Å; V1013-C1024 HydrophobicContact CG2-CB 4.26Å; V1013-R1025 HydrophobicContact CG1-CB 4.24Å; V1013-R1025 HydrophobicContact CG1-CG 4Å; V1013-K1028 HydrophobicContact CB-CD 3.81Å; V1013-K1028 HydrophobicContact CG1-CD 4.27Å; V1013-K1028 HydrophobicContact CG2-CD 4.24Å; V1013-K1028 PolarHBondContact O-NZ 3.06Å; V1013-K1028 VanDerWaalsContact O-NZ 3.1Å | ||
| 1014 | D | 96.4 | Very high | 96 | Very high | 55 Ų | 55 | 88.3 Ų | 88.3 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | trans | -124.5 | 166.7 | 179.4 | -28.6 | -62.4 | 0 | 0 | 0 | 110.9 | C972 V1012 R1016 R1017 R1018 | C972-D1014 CarbonylContact O-C 3.37Å; C972-D1014 WeakPolarHBondContact O-CA 3.42Å; V1012-D1014 WeakPolarHBondContact CG1-OD1 3.32Å; D1014-R1016 PolarHBondContact O-N 2.91Å; D1014-R1017 PolarHBondContact O-N 3.21Å; D1014-R1017 IonicContact OD2-CZ 2.78Å; D1014-R1017 IonicContact OD2-NE 3.66Å; D1014-R1017 PolarHBondContact OD2-NE 2.82Å; D1014-R1017 IonicContact OD2-NH2 3.31Å; D1014-R1017 PolarHBondContact OD2-NH2 3.13Å; D1014-R1018 VanDerWaalsContact O-CB 3.27Å; D1014-R1018 WeakPolarHBondContact O-CB 3.24Å; D1014-R1018 PolarHBondContact O-N 2.9Å | ||
| 1015 | K | 95.4 | Very high | 96.1 | Very high | 124 Ų | 124 | 83 Ų | 83 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.7 | -47 | 179.3 | -179.9 | 171.5 | 179.3 | 148.7 | 0 | 113.4 | C972 D974 R1018 | C972-K1015 PolarHBondContact O-N 3.34Å; D974-K1015 HydrophobicContact CB-CB 4.1Å; D974-K1015 HydrophobicContact CB-CD 4.02Å; D974-K1015 HydrophobicContact CB-CG 3.92Å; D974-K1015 VanDerWaalsContact OD1-CD 3.27Å; D974-K1015 WeakPolarHBondContact OD1-CD 3.42Å; D974-K1015 WeakPolarHBondContact OD1-CE 3.42Å; D974-K1015 IonicContact OD1-NZ 2.74Å; D974-K1015 PolarHBondContact OD1-NZ 3.13Å; K1015-R1018 PolarHBondContact O-NE 3Å |
| 1016 | R | 95.1 | Very high | 96.1 | Very high | 227 Ų | 227 | 83.5 Ų | 83.5 | 86% | 0.857 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -34.5 | 178.7 | -170.5 | 171 | 74 | 103.3 | -9 | 114.2 | D1014 | D1014-R1016 PolarHBondContact O-N 2.91Š|
| 1017 | R | 94.3 | Very high | 96.3 | Very high | 109 Ų | 109 | 79.9 Ų | 79.9 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -11.9 | -168.9 | -66.2 | -169 | -68.5 | -169 | -3.9 | 115.3 | D1014 N1019 R1020 | D1014-R1017 PolarHBondContact O-N 3.21Å; D1014-R1017 IonicContact OD2-CZ 2.78Å; D1014-R1017 IonicContact OD2-NE 3.66Å; D1014-R1017 PolarHBondContact OD2-NE 2.82Å; D1014-R1017 IonicContact OD2-NH2 3.31Å; D1014-R1017 PolarHBondContact OD2-NH2 3.13Å; R1017-N1019 PolarHBondContact O-N 3.04Å; R1017-R1020 WeakPolarHBondContact O-CB 3.48Å; R1017-R1020 PolarHBondContact O-N 2.84Å |
| 1018 | R | 95.1 | Very high | 96.5 | Very high | 42 Ų | 42 | 78.8 Ų | 78.8 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -17.4 | -174.9 | 63.8 | -172.7 | 178.2 | -173.2 | -8.1 | 116.6 | C972 D974 C986 V1013 D1014 K1015 R1025 | C972-R1018 HydrophobicContact CB-CB 4.24Å; C972-R1018 PolarHBondContact SG-NH1 3.47Å; C972-R1018 VanDerWaalsContact SG-NH1 3.35Å; D974-R1018 VanDerWaalsContact CB-NH1 3.35Å; D974-R1018 IonicContact OD2-CZ 2.7Å; D974-R1018 IonicContact OD2-NH1 2.61Å; D974-R1018 PolarHBondContact OD2-NH1 2.9Å; D974-R1018 IonicContact OD2-NH2 3.48Å; D974-R1018 PolarHBondContact OD2-NH2 3.5Å; C986-R1018 PolarHBondContact SG-NH1 3.24Å; V1013-R1018 HydrophobicContact CG1-CB 3.97Å; D1014-R1018 VanDerWaalsContact O-CB 3.27Å; D1014-R1018 WeakPolarHBondContact O-CB 3.24Å; D1014-R1018 PolarHBondContact O-N 2.9Å; K1015-R1018 PolarHBondContact O-NE 3Å; R1018-R1025 VanDerWaalsContact O-CD 3.26Å; R1018-R1025 WeakPolarHBondContact O-CD 3.49Å; R1018-R1025 PolarHBondContact O-NH1 3.49Å; R1018-R1025 VanDerWaalsContact O-NH1 3.12Å |
| 1019 | N | 95.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 75.6 Ų | 75.6 | 65% | 0.647 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -16.3 | 176.6 | -67.6 | -7.1 | 0 | 0 | 0 | 113.4 | R1017 C1021 R1025 | R1017-N1019 PolarHBondContact O-N 3.04Å; N1019-C1021 PolarHBondContact O-N 2.88Å; N1019-R1025 PolarHBondContact OD1-NH1 3.39Å |
| 1020 | R | 95.6 | Very high | 96.8 | Very high | 213 Ų | 213 | 71.7 Ų | 71.7 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.3 | -23.7 | -170.1 | -169.4 | 170.8 | 177.7 | 115.8 | -3.6 | 114.6 | R1017 | R1017-R1020 WeakPolarHBondContact O-CB 3.48Å; R1017-R1020 PolarHBondContact O-N 2.84Å |
| 1021 | C | 97.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 75.7 Ų | 75.7 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | trans | -140.1 | 108.6 | 171.1 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | C1011 N1019 C1024 R1025 | C1011-C1021 HydrophobicContact CB-CB 3.72Å; N1019-C1021 PolarHBondContact O-N 2.88Å; C1021-C1024 HydrophobicContact CB-CB 4.21Å; C1021-R1025 WeakPolarHBondContact O-CB 3.32Å; C1021-R1025 PolarHBondContact O-N 3.23Å | ||
| 1022 | Q | 97.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 76.5 Ų | 76.5 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | -178.9 | -64.8 | 179.2 | -7.5 | 0 | 0 | 111.7 | F992 Y1003 R1025 F1026 | F992-Q1022 HydrophobicContact CE2-CB 4.15Å; F992-Q1022 HydrophobicContact CE2-CG 4.21Å; F992-Q1022 HydrophobicContact CZ-CB 4.3Å; F992-Q1022 WeakPolarHBondContact CZ-O 3.39Å; Y1003-Q1022 HydrophobicContact CD1-CB 3.82Å; Y1003-Q1022 HydrophobicContact CD2-CB 3.85Å; Y1003-Q1022 HydrophobicContact CE1-CB 3.98Å; Y1003-Q1022 HydrophobicContact CE2-CB 3.98Å; Y1003-Q1022 HydrophobicContact CG-CB 3.76Å; Q1022-R1025 PolarHBondContact O-N 2.83Å; Q1022-F1026 WeakPolarHBondContact O-CB 3.25Å; Q1022-F1026 PolarHBondContact O-N 3.33Å |
| 1023 | Y | 98.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 74.5 Ų | 74.5 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.1 | -59.3 | 174.3 | 178.5 | -95.4 | 0 | 0 | 0 | 112.1 | Y1003 C1005 K1009 R1025 F1026 Q1027 | Y1003-Y1023 WeakPolarHBondContact O-CD2 3.46Å; C1005-Y1023 HydrophobicContact CB-CD1 3.73Å; C1005-Y1023 HydrophobicContact CB-CE1 4.4Å; C1005-Y1023 HydrophobicContact CB-CG 4.16Å; K1009-Y1023 HydrophobicContact CB-CE1 3.84Å; K1009-Y1023 HydrophobicContact CD-CE1 4Å; K1009-Y1023 HydrophobicContact CG-CD1 4.32Å; K1009-Y1023 HydrophobicContact CG-CE1 3.63Å; Y1023-R1025 VanDerWaalsContact C-N 3.26Å; Y1023-R1025 PolarHBondContact O-N 3.43Å; Y1023-F1026 PolarHBondContact O-N 2.88Å; Y1023-Q1027 HydrophobicContact CD1-CG 4.02Å; Y1023-Q1027 HydrophobicContact CD2-CG 4.3Å; Y1023-Q1027 HydrophobicContact CE1-CG 3.66Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.99Å; Y1023-Q1027 HydrophobicContact CG-CG 4.35Å; Y1023-Q1027 WeakPolarHBondContact O-CG 3.38Å; Y1023-Q1027 PolarHBondContact O-N 2.87Å |
| 1024 | C | 98.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -33.9 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | K1009 C1011 V1013 C1021 K1028 | K1009-C1024 PolarHBondContact O-SG 3.28Å; C1011-C1024 HydrophobicContact CB-CB 3.9Å; C1011-C1024 PolarHBondContact N-SG 3.48Å; C1011-C1024 WeakPolarHBondContact O-CB 3.37Å; V1013-C1024 HydrophobicContact CG2-CB 4.26Å; C1021-C1024 HydrophobicContact CB-CB 4.21Å; C1024-K1028 WeakPolarHBondContact O-CB 3.39Å; C1024-K1028 PolarHBondContact O-N 3.25Å |
| 1025 | R | 98.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 72.4 Ų | 72.4 | 4% | 0.038 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 171.8 | -170 | -166.3 | -166.5 | 151.1 | -3.7 | 112.2 | V971 G988 C989 F992 V1013 R1018 N1019 C1021 Q1022 Y1023 K1028 C1029 | V971-R1025 HydrophobicContact CG1-CG 4.35Å; G988-R1025 PolarHBondContact O-NH2 3.13Å; C989-R1025 PolarHBondContact SG-NH2 3.34Å; C989-R1025 VanDerWaalsContact SG-NH2 3.36Å; F992-R1025 VanDerWaalsContact CD1-CD 3.48Å; F992-R1025 HydrophobicContact CD1-CG 4.05Å; F992-R1025 HydrophobicContact CE1-CB 4.11Å; F992-R1025 HydrophobicContact CE1-CG 3.85Å; F992-R1025 HydrophobicContact CZ-CB 4.23Å; F992-R1025 HydrophobicContact CZ-CG 4.34Å; V1013-R1025 HydrophobicContact CG1-CB 4.24Å; V1013-R1025 HydrophobicContact CG1-CG 4Å; R1018-R1025 VanDerWaalsContact O-CD 3.26Å; R1018-R1025 WeakPolarHBondContact O-CD 3.49Å; R1018-R1025 PolarHBondContact O-NH1 3.49Å; R1018-R1025 VanDerWaalsContact O-NH1 3.12Å; N1019-R1025 PolarHBondContact OD1-NH1 3.39Å; C1021-R1025 WeakPolarHBondContact O-CB 3.32Å; C1021-R1025 PolarHBondContact O-N 3.23Å; Q1022-R1025 PolarHBondContact O-N 2.83Å; Y1023-R1025 VanDerWaalsContact C-N 3.26Å; Y1023-R1025 PolarHBondContact O-N 3.43Å; R1025-K1028 PolarHBondContact O-N 3.14Å; R1025-C1029 PolarHBondContact O-N 3.35Å; R1025-C1029 PolarHBondContact O-SG 2.91Å; R1025-C1029 VanDerWaalsContact O-SG 3.41Å |
| 1026 | F | 98.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 70.5 Ų | 70.5 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 180 | -175.8 | -123.4 | 0 | 0 | 0 | 112.2 | F992 F993 T996 I997 Y1003 Q1022 Y1023 K1028 C1029 L1030 | F992-F1026 HydrophobicContact CE1-CB 3.81Å; F992-F1026 HydrophobicContact CE1-CD2 4.31Å; F992-F1026 HydrophobicContact CZ-CB 3.97Å; F993-F1026 HydrophobicContact CD2-CD2 4.14Å; F993-F1026 AromaticContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CE2-CD2 4.4Å; F993-F1026 AromaticContact CE2-CE2 3.75Å; F993-F1026 HydrophobicContact CE2-CE2 3.75Å; T996-F1026 HydrophobicContact CG2-CD1 4.02Å; T996-F1026 HydrophobicContact CG2-CD2 3.58Å; T996-F1026 HydrophobicContact CG2-CE1 4Å; T996-F1026 HydrophobicContact CG2-CE2 3.56Å; T996-F1026 HydrophobicContact CG2-CG 3.82Å; T996-F1026 HydrophobicContact CG2-CZ 3.78Å; I997-F1026 HydrophobicContact CD1-CE2 3.72Å; I997-F1026 HydrophobicContact CD1-CZ 3.55Å; I997-F1026 HydrophobicContact CG1-CE2 4.46Å; Y1003-F1026 HydrophobicContact CD2-CB 4.11Å; Y1003-F1026 HydrophobicContact CE2-CB 4.39Å; Q1022-F1026 WeakPolarHBondContact O-CB 3.25Å; Q1022-F1026 PolarHBondContact O-N 3.33Å; Y1023-F1026 PolarHBondContact O-N 2.88Å; F1026-K1028 VanDerWaalsContact C-N 3.31Å; F1026-K1028 PolarHBondContact O-N 2.99Å; F1026-C1029 WeakPolarHBondContact O-CB 3.28Å; F1026-C1029 PolarHBondContact O-N 2.95Å; F1026-C1029 VanDerWaalsContact O-N 3.15Å; F1026-L1030 HydrophobicContact CD1-CD1 4.23Å; F1026-L1030 HydrophobicContact CE1-CD1 3.78Å; F1026-L1030 HydrophobicContact CE1-CG 4.47Å; F1026-L1030 HydrophobicContact CE2-CD1 4.46Å; F1026-L1030 HydrophobicContact CE2-CD2 4.4Å; F1026-L1030 HydrophobicContact CE2-CG 4.3Å; F1026-L1030 HydrophobicContact CZ-CD1 3.91Å; F1026-L1030 HydrophobicContact CZ-CD2 4.26Å; F1026-L1030 HydrophobicContact CZ-CG 4.18Å; F1026-L1030 PolarHBondContact O-N 3.49Å |
| 1027 | Q | 97.6 | Very high | 95.9 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -42 | 171.2 | -64.8 | -57.3 | -21.8 | 0 | 0 | 111.4 | Y1023 L1030 K1031 | Y1023-Q1027 HydrophobicContact CD1-CG 4.02Å; Y1023-Q1027 HydrophobicContact CD2-CG 4.3Å; Y1023-Q1027 HydrophobicContact CE1-CG 3.66Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.99Å; Y1023-Q1027 HydrophobicContact CG-CG 4.35Å; Y1023-Q1027 WeakPolarHBondContact O-CG 3.38Å; Y1023-Q1027 PolarHBondContact O-N 2.87Å; Q1027-L1030 PolarHBondContact O-N 2.89Å; Q1027-K1031 WeakPolarHBondContact O-CB 3.41Å; Q1027-K1031 PolarHBondContact O-N 3.43Å |
| 1028 | K | 98 | Very high | 95.5 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 174.4 | -165.6 | 174.4 | 176.5 | -170.2 | 0 | 112.6 | V971 V1013 C1024 R1025 F1026 K1031 V1032 | V971-K1028 VanDerWaalsContact O-CD 3.23Å; V971-K1028 WeakPolarHBondContact O-CD 3.37Å; V971-K1028 WeakPolarHBondContact O-CE 3.21Å; V971-K1028 PolarHBondContact O-NZ 3.31Å; V1013-K1028 HydrophobicContact CB-CD 3.81Å; V1013-K1028 HydrophobicContact CG1-CD 4.27Å; V1013-K1028 HydrophobicContact CG2-CD 4.24Å; V1013-K1028 PolarHBondContact O-NZ 3.06Å; V1013-K1028 VanDerWaalsContact O-NZ 3.1Å; C1024-K1028 WeakPolarHBondContact O-CB 3.39Å; C1024-K1028 PolarHBondContact O-N 3.25Å; R1025-K1028 PolarHBondContact O-N 3.14Å; F1026-K1028 VanDerWaalsContact C-N 3.31Å; F1026-K1028 PolarHBondContact O-N 2.99Å; K1028-K1031 PolarHBondContact O-N 3.04Å; K1028-V1032 HydrophobicContact CG-CG1 4.46Å; K1028-V1032 WeakPolarHBondContact O-CG1 3.33Å; K1028-V1032 WeakPolarHBondContact O-CG2 3.34Å; K1028-V1032 PolarHBondContact O-N 3.01Å |
| 1029 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 171 | -76.3 | 0 | 0 | 0 | 0 | 111.8 | F993 R1025 F1026 V1032 M1034 | F993-C1029 HydrophobicContact CD2-CB 3.74Å; F993-C1029 HydrophobicContact CE2-CB 4.24Å; R1025-C1029 PolarHBondContact O-N 3.35Å; R1025-C1029 PolarHBondContact O-SG 2.91Å; R1025-C1029 VanDerWaalsContact O-SG 3.41Å; F1026-C1029 WeakPolarHBondContact O-CB 3.28Å; F1026-C1029 PolarHBondContact O-N 2.95Å; F1026-C1029 VanDerWaalsContact O-N 3.15Å; C1029-V1032 WeakPolarHBondContact O-CG2 3.43Å; C1029-M1034 HydrophobicContact CB-CB 4.36Å; C1029-M1034 HydrophobicContact CB-CG 4.29Å; C1029-M1034 HydrophobicContact CB-SD 3.66Å; C1029-M1034 WeakPolarHBondContact O-CB 3.13Å; C1029-M1034 VanDerWaalsContact O-CG 3.27Å; C1029-M1034 WeakPolarHBondContact O-CG 3.29Å; C1029-M1034 PolarHBondContact O-N 3.17Å |
| 1030 | L | 96.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.9 | -65.5 | 172.5 | 0 | 0 | 0 | 111.4 | F993 F1026 Q1027 V1032 G1033 | F993-L1030 HydrophobicContact CE2-CD2 4.04Å; F1026-L1030 HydrophobicContact CD1-CD1 4.23Å; F1026-L1030 HydrophobicContact CE1-CD1 3.78Å; F1026-L1030 HydrophobicContact CE1-CG 4.47Å; F1026-L1030 HydrophobicContact CE2-CD1 4.46Å; F1026-L1030 HydrophobicContact CE2-CD2 4.4Å; F1026-L1030 HydrophobicContact CE2-CG 4.3Å; F1026-L1030 HydrophobicContact CZ-CD1 3.91Å; F1026-L1030 HydrophobicContact CZ-CD2 4.26Å; F1026-L1030 HydrophobicContact CZ-CG 4.18Å; F1026-L1030 PolarHBondContact O-N 3.49Å; Q1027-L1030 PolarHBondContact O-N 2.89Å; L1030-V1032 VanDerWaalsContact C-N 3.3Å; L1030-V1032 PolarHBondContact O-N 3.15Å; L1030-G1033 WeakPolarHBondContact O-CA 3.46Å; L1030-G1033 PolarHBondContact O-N 2.94Å |
| 1031 | K | 96.7 | Very high | 92.9 | Very high | 162 Ų | 162 | 60.6 Ų | 60.6 | 70% | 0.704 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.3 | -29.6 | -179.3 | -175.2 | 168.2 | -179.1 | 171.3 | 0 | 114 | Q1027 K1028 G1033 | Q1027-K1031 WeakPolarHBondContact O-CB 3.41Å; Q1027-K1031 PolarHBondContact O-N 3.43Å; K1028-K1031 PolarHBondContact O-N 3.04Å; K1031-G1033 VanDerWaalsContact C-N 3.25Å; K1031-G1033 PolarHBondContact O-N 3.47Å |
| 1032 | V | 95.6 | Very high | 90.8 | Very high | 43 Ų | 43 | 65 Ų | 65 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.9 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | L970 V971 V983 K1028 C1029 L1030 M1034 | L970-V1032 HydrophobicContact CB-CB 4.3Å; L970-V1032 HydrophobicContact CB-CG1 4.15Å; V971-V1032 HydrophobicContact CG2-CG2 3.58Å; V983-V1032 HydrophobicContact CG1-CB 4.15Å; V983-V1032 HydrophobicContact CG1-CG2 3.79Å; V983-V1032 WeakPolarHBondContact CG1-O 3.4Å; V983-V1032 HydrophobicContact CG2-CG2 4.47Å; V983-V1032 WeakPolarHBondContact CG2-O 3.3Å; K1028-V1032 HydrophobicContact CG-CG1 4.46Å; K1028-V1032 WeakPolarHBondContact O-CG1 3.33Å; K1028-V1032 WeakPolarHBondContact O-CG2 3.34Å; K1028-V1032 PolarHBondContact O-N 3.01Å; C1029-V1032 WeakPolarHBondContact O-CG2 3.43Å; L1030-V1032 VanDerWaalsContact C-N 3.3Å; L1030-V1032 PolarHBondContact O-N 3.15Å; V1032-M1034 HydrophobicContact CG2-CG 4.15Å |
| 1033 | G | 94.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 20.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | V983 L1030 K1031 V1035 | V983-G1033 VanDerWaalsContact CG2-O 3.27Å; V983-G1033 WeakPolarHBondContact CG2-O 3.17Å; L1030-G1033 WeakPolarHBondContact O-CA 3.46Å; L1030-G1033 PolarHBondContact O-N 2.94Å; K1031-G1033 VanDerWaalsContact C-N 3.25Å; K1031-G1033 PolarHBondContact O-N 3.47Å; G1033-V1035 PolarHBondContact O-N 3.05Å |
| 1034 | M | 96.2 | Very high | 86.5 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | trans | -69.8 | 120.9 | 179.4 | -65.5 | -171.2 | 78.6 | 0 | 0 | 111.4 | V971 Y981 V983 T985 F993 C1029 V1032 K1036 | V971-M1034 HydrophobicContact CG2-SD 4.04Å; Y981-M1034 HydrophobicContact CD2-CE 3.77Å; Y981-M1034 HydrophobicContact CG-CE 4.41Å; Y981-M1034 WeakPolarHBondContact O-CA 3.44Å; V983-M1034 HydrophobicContact CB-CG 3.94Å; V983-M1034 HydrophobicContact CG2-CB 4.36Å; V983-M1034 HydrophobicContact CG2-CG 3.75Å; T985-M1034 HydrophobicContact CG2-CE 4.27Å; T985-M1034 HydrophobicContact CG2-SD 3.95Å; F993-M1034 HydrophobicContact CB-CE 3.74Å; F993-M1034 HydrophobicContact CB-SD 4.26Å; F993-M1034 HydrophobicContact CD1-CB 4.31Å; F993-M1034 HydrophobicContact CD1-CE 3.97Å; F993-M1034 HydrophobicContact CD2-CB 3.92Å; F993-M1034 HydrophobicContact CD2-CE 4.4Å; F993-M1034 HydrophobicContact CD2-SD 4.21Å; F993-M1034 HydrophobicContact CE1-CB 4.03Å; F993-M1034 HydrophobicContact CE2-CB 3.62Å; F993-M1034 HydrophobicContact CG-CB 4.26Å; F993-M1034 HydrophobicContact CG-CE 3.78Å; F993-M1034 HydrophobicContact CG-SD 4.17Å; F993-M1034 HydrophobicContact CZ-CB 3.69Å; F993-M1034 WeakPolarHBondContact CZ-O 3.1Å; C1029-M1034 HydrophobicContact CB-CB 4.36Å; C1029-M1034 HydrophobicContact CB-CG 4.29Å; C1029-M1034 HydrophobicContact CB-SD 3.66Å; C1029-M1034 WeakPolarHBondContact O-CB 3.13Å; C1029-M1034 VanDerWaalsContact O-CG 3.27Å; C1029-M1034 WeakPolarHBondContact O-CG 3.29Å; C1029-M1034 PolarHBondContact O-N 3.17Å; V1032-M1034 HydrophobicContact CG2-CG 4.15Å; M1034-K1036 PolarHBondContact O-N 3.46Å | ||
| 1035 | V | 92 | Very high | 84.2 | Confident | 14 Ų | 14 | 80 Ų | 80 | 9% | 0.085 | 39% | 0.389 | C | S | . | . | trans | -83.7 | 113.2 | -168.3 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | Y981 F993 G1033 E1037 V1038 A1055 | Y981-V1035 WeakPolarHBondContact O-CG2 3.49Å; Y981-V1035 PolarHBondContact O-N 2.97Å; F993-V1035 WeakPolarHBondContact CE1-O 3.33Å; G1033-V1035 PolarHBondContact O-N 3.05Å; V1035-E1037 HydrophobicContact CG1-CB 4.08Å; V1035-E1037 VanDerWaalsContact CG1-OE2 3.27Å; V1035-E1037 WeakPolarHBondContact CG1-OE2 3.35Å; V1035-V1038 HydrophobicContact CB-CB 4.41Å; V1035-V1038 HydrophobicContact CB-CG2 4.02Å; V1035-V1038 HydrophobicContact CG1-CB 4.24Å; V1035-V1038 HydrophobicContact CG1-CG2 3.63Å; V1035-A1055 HydrophobicContact CG1-CB 3.49Å; V1035-A1055 VanDerWaalsContact CG1-CB 3.49Å; V1035-A1055 HydrophobicContact CG2-CB 4.31Å; V1035-A1055 WeakPolarHBondContact CG2-O 3.47Å | ||
| 1036 | K | 92.1 | Very high | 81.5 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 37% | 0.365 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -68.2 | -35.3 | -179.4 | 61.6 | -173.4 | 179.5 | -173.6 | 0 | 112.3 | F993 I997 M1034 V1038 V1039 L1059 | F993-K1036 HydrophobicContact CZ-CB 4.26Å; I997-K1036 HydrophobicContact CD1-CB 3.64Å; I997-K1036 HydrophobicContact CG1-CB 4.04Å; I997-K1036 HydrophobicContact CG2-CB 4.33Å; M1034-K1036 PolarHBondContact O-N 3.46Å; K1036-V1038 VanDerWaalsContact C-N 3.27Å; K1036-V1038 PolarHBondContact O-N 3.32Å; K1036-V1039 WeakPolarHBondContact O-CB 2.97Å; K1036-V1039 PolarHBondContact O-N 2.99Å; K1036-L1059 VanDerWaalsContact NZ-CD1 3.31Å |
| 1037 | E | 87.8 | Confident | 78.9 | Confident | 118 Ų | 118 | 92.4 Ų | 92.4 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.7 | -177.5 | -64.9 | 69 | -153.5 | 0 | 0 | 112.7 | V1035 V1039 | V1035-E1037 HydrophobicContact CG1-CB 4.08Å; V1035-E1037 VanDerWaalsContact CG1-OE2 3.27Å; V1035-E1037 WeakPolarHBondContact CG1-OE2 3.35Å; E1037-V1039 PolarHBondContact O-N 3.37Å |
| 1038 | V | 84.7 | Confident | 76.4 | Confident | 33 Ų | 33 | 101.2 Ų | 101.2 | 20% | 0.2 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.3 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | Y981 V1035 K1036 R1040 L1051 | Y981-V1038 HydrophobicContact CD1-CB 4.14Å; Y981-V1038 HydrophobicContact CD1-CG1 3.76Å; Y981-V1038 HydrophobicContact CE1-CG1 4.28Å; V1035-V1038 HydrophobicContact CB-CB 4.41Å; V1035-V1038 HydrophobicContact CB-CG2 4.02Å; V1035-V1038 HydrophobicContact CG1-CB 4.24Å; V1035-V1038 HydrophobicContact CG1-CG2 3.63Å; K1036-V1038 VanDerWaalsContact C-N 3.27Å; K1036-V1038 PolarHBondContact O-N 3.32Å; V1038-R1040 VanDerWaalsContact C-N 3.33Å; V1038-R1040 PolarHBondContact O-N 3.26Å; V1038-L1051 HydrophobicContact CG1-CD1 3.85Å; V1038-L1051 HydrophobicContact CG1-CD2 3.93Å; V1038-L1051 HydrophobicContact CG1-CG 3.85Å; V1038-L1051 HydrophobicContact CG2-CD2 3.86Å; V1038-L1051 HydrophobicContact CG2-CG 4.08Å |
| 1039 | V | 84.7 | Confident | 73.9 | Confident | 9 Ų | 9 | 99.5 Ų | 99.5 | 6% | 0.055 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -77.5 | 85.2 | 176 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | Y981 F993 K994 I997 Q998 K1036 E1037 R1041 | Y981-V1039 HydrophobicContact CD1-CG2 3.69Å; Y981-V1039 HydrophobicContact CE1-CB 4.46Å; Y981-V1039 HydrophobicContact CE1-CG2 3.63Å; Y981-V1039 HydrophobicContact CG-CG2 4.39Å; F993-V1039 HydrophobicContact CD1-CG2 3.8Å; F993-V1039 HydrophobicContact CE1-CG2 3.58Å; K994-V1039 HydrophobicContact CG-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CB 3.96Å; I997-V1039 HydrophobicContact CB-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CG2 4.1Å; I997-V1039 HydrophobicContact CG1-CB 4.46Å; I997-V1039 HydrophobicContact CG1-CG2 4.09Å; I997-V1039 HydrophobicContact CG2-CB 3.81Å; I997-V1039 HydrophobicContact CG2-CG1 4.13Å; I997-V1039 HydrophobicContact CG2-CG2 4.34Å; Q998-V1039 HydrophobicContact CG-CG1 3.56Å; K1036-V1039 WeakPolarHBondContact O-CB 2.97Å; K1036-V1039 PolarHBondContact O-N 2.99Å; E1037-V1039 PolarHBondContact O-N 3.37Å; V1039-R1041 PolarHBondContact O-N 3.23Å |
| 1040 | R | 77.3 | Confident | 71.4 | Confident | 147 Ų | 147 | 109.5 Ų | 109.5 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | trans | -51.8 | 123.7 | 171.2 | -63.8 | -178.7 | 177.6 | 109.3 | -1.8 | 109.8 | Q998 V1038 G1049 | Q998-R1040 PolarHBondContact NE2-O 3.42Å; V1038-R1040 VanDerWaalsContact C-N 3.33Å; V1038-R1040 PolarHBondContact O-N 3.26Å; R1040-G1049 PolarHBondContact NH1-O 2.92Å; R1040-G1049 PolarHBondContact NH2-O 3.43Å | ||
| 1041 | R | 68.9 | Low | 69.2 | Low | 196 Ų | 196 | 110.7 Ų | 110.7 | 74% | 0.74 | 53% | 0.53 | S | S | * | . | trans | -64.9 | 137.2 | 162.8 | -71.5 | -179.3 | -88.2 | 161.9 | -6 | 107.3 | V1039 S1043 | V1039-R1041 PolarHBondContact O-N 3.23Å; R1041-S1043 PolarHBondContact O-N 2.68Å | ||
| 1042 | D | 55.5 | Low | 66.8 | Low | 105 Ų | 105 | 107 Ų | 107 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 18.1 | -162.7 | -72.9 | -45.1 | 0 | 0 | 0 | 115 | K994 Q998 L1044 | K994-D1042 IonicContact NZ-OD1 2.63Å; K994-D1042 IonicContact NZ-OD2 2.79Å; K994-D1042 PolarHBondContact NZ-OD2 2.82Å; Q998-D1042 VanDerWaalsContact CD-OD2 3.29Å; Q998-D1042 PolarHBondContact NE2-OD1 2.88Å; Q998-D1042 VanDerWaalsContact NE2-OD1 3.14Å; Q998-D1042 PolarHBondContact NE2-OD2 2.83Å; Q998-D1042 PolarHBondContact OE1-OD2 2.88Å; D1042-L1044 VanDerWaalsContact C-N 3.31Å; D1042-L1044 PolarHBondContact O-N 3.03Å |
| 1043 | S | 54.4 | Low | 64.1 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.1 | 179.9 | -44.9 | 0 | 0 | 0 | 0 | 114.9 | R1041 | R1041-S1043 PolarHBondContact O-N 2.68Š|
| 1044 | L | 50.4 | Low | 61.2 | Low | 157 Ų | 157 | 107.3 Ų | 107.3 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | trans | -131.3 | 75.8 | -172.5 | -67.3 | 175.8 | 0 | 0 | 0 | 112.6 | D1042 G1046 | D1042-L1044 VanDerWaalsContact C-N 3.31Å; D1042-L1044 PolarHBondContact O-N 3.03Å; L1044-G1046 PolarHBondContact O-N 3.19Å | ||
| 1045 | K | 49.6 | Very low | 58.3 | Low | 208 Ų | 208 | 108.9 Ų | 108.9 | 90% | 0.904 | 53% | 0.527 | S | S | * | . | trans | -73.2 | 68.3 | 168.8 | -72.5 | -179.3 | 177.3 | 174 | 0 | 111.1 | ||||
| 1046 | G | 41.7 | Very low | 55.3 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 62% | 0.619 | 54% | 0.535 | S | S | * | . | trans | -147.4 | 7.9 | -161.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | L1044 | L1044-G1046 PolarHBondContact O-N 3.19Š| ||
| 1047 | R | 45.2 | Very low | 52.2 | Low | 241 Ų | 241 | 110.5 Ų | 110.5 | 91% | 0.909 | 54% | 0.538 | S | S | * | . | trans | -179.5 | 141.7 | 161.7 | -103.5 | 160.4 | -163.4 | -155.2 | 5.1 | 111 | G1049 | R1047-G1049 VanDerWaalsContact C-N 3.29Å; R1047-G1049 PolarHBondContact O-N 2.97Å | ||
| 1048 | R | 43.1 | Very low | 49.5 | Very low | 263 Ų | 263 | 113.2 Ų | 113.2 | 99% | 0.992 | 55% | 0.55 | S | S | * | * | trans | -81.2 | 67.2 | 176.8 | -66.2 | -175.4 | -173.9 | 170.6 | 3 | 111.7 | R1050 | R1048-R1050 PolarHBondContact O-N 2.9Š| ||
| 1049 | G | 45.5 | Very low | 47.1 | Very low | 36 Ų | 36 | 116.9 Ų | 116.9 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 116.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1040 R1047 | R1040-G1049 PolarHBondContact NH1-O 2.92Å; R1040-G1049 PolarHBondContact NH2-O 3.43Å; R1047-G1049 VanDerWaalsContact C-N 3.29Å; R1047-G1049 PolarHBondContact O-N 2.97Å |
| 1050 | R | 46.3 | Very low | 44.5 | Very low | 210 Ų | 210 | 124 Ų | 124 | 79% | 0.792 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 153.8 | 162.2 | -155.7 | 175.4 | -167.4 | 169.2 | 3.3 | 109.3 | R1048 S1052 | R1048-R1050 PolarHBondContact O-N 2.9Å; R1050-S1052 PolarHBondContact O-N 2.78Å |
| 1051 | L | 50.3 | Low | 42.2 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 141 | 171.8 | -87.7 | 71.7 | 0 | 0 | 0 | 109 | V1038 | V1038-L1051 HydrophobicContact CG1-CD1 3.85Å; V1038-L1051 HydrophobicContact CG1-CD2 3.93Å; V1038-L1051 HydrophobicContact CG1-CG 3.85Å; V1038-L1051 HydrophobicContact CG2-CD2 3.86Å; V1038-L1051 HydrophobicContact CG2-CG 4.08Å |
| 1052 | S | 46.3 | Very low | 40.3 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 130.3 | 154.4 | 175.2 | 0 | 0 | 0 | 0 | 107.1 | R1050 K1054 | R1050-S1052 PolarHBondContact O-N 2.78Å; S1052-K1054 PolarHBondContact O-N 3.4Å |
| 1053 | S | 39 | Very low | 38.8 | Very low | 18 Ų | 18 | 123 Ų | 123 | 13% | 0.126 | 63% | 0.634 | C | S | . | * | S | Bend | trans | -72.9 | 15.3 | -167.9 | -79.2 | 0 | 0 | 0 | 0 | 117.2 | A1055 H1429 E1433 | S1053-A1055 VanDerWaalsContact C-N 3.31Å; S1053-A1055 PolarHBondContact O-N 2.98Å; S1053-H1429 WeakPolarHBondContact CB-CE1 3.3Å; S1053-H1429 WeakPolarHBondContact CB-ND1 3.5Å; S1053-H1429 PolarHBondContact O-ND1 2.97Å; S1053-H1429 PolarHBondContact OG-CE1 3.21Å; S1053-H1429 PolarHBondContact OG-NE2 3.33Å; S1053-E1433 VanDerWaalsContact CB-CG 3.41Å; S1053-E1433 VanDerWaalsContact CB-OE2 3.25Å; S1053-E1433 WeakPolarHBondContact CB-OE2 3.43Å; S1053-E1433 PolarHBondContact N-OE2 2.77Å; S1053-E1433 WeakPolarHBondContact OG-CG 3.35Å; S1053-E1433 PolarHBondContact OG-OE2 2.79Å; S1053-E1433 VanDerWaalsContact OG-OE2 3.07Å |
| 1054 | K | 34.9 | Very low | 37.5 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 32% | 0.317 | 63% | 0.634 | S | S | . | * | trans | -90.8 | 26.6 | -168.8 | -149.4 | 166.8 | -166.8 | 149.3 | 0 | 115.2 | S1052 S1123 | S1052-K1054 PolarHBondContact O-N 3.4Å; K1054-S1123 WeakPolarHBondContact CD-OG 3.15Å; K1054-S1123 PolarHBondContact NZ-O 3.22Å; K1054-S1123 PolarHBondContact NZ-OG 3.2Å | ||
| 1055 | A | 33.5 | Very low | 36.4 | Very low | 39 Ų | 39 | 121.8 Ų | 121.8 | 32% | 0.322 | 64% | 0.636 | S | S | . | * | trans | -132.2 | 65.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110 | V1035 S1053 | V1035-A1055 HydrophobicContact CG1-CB 3.49Å; V1035-A1055 VanDerWaalsContact CG1-CB 3.49Å; V1035-A1055 HydrophobicContact CG2-CB 4.31Å; V1035-A1055 WeakPolarHBondContact CG2-O 3.47Å; S1053-A1055 VanDerWaalsContact C-N 3.31Å; S1053-A1055 PolarHBondContact O-N 2.98Å | ||
| 1056 | R | 30.9 | Very low | 35.4 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 27% | 0.268 | 63% | 0.627 | S | S | . | * | trans | -146.2 | 132.2 | 177 | -128.6 | 179.5 | 178.1 | 119.5 | 7 | 106.6 | G982 Y1425 S1426 | G982-R1056 PolarHBondContact O-NH2 3.48Å; R1056-Y1425 VanDerWaalsContact CZ-CE1 3.41Å; R1056-S1426 WeakPolarHBondContact CB-OG 3.39Å; R1056-S1426 WeakPolarHBondContact CD-OG 3.29Å; R1056-S1426 VanDerWaalsContact CG-OG 3.27Å; R1056-S1426 WeakPolarHBondContact CG-OG 3.24Å | ||
| 1057 | C | 26.6 | Very low | 34.6 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | S | Bend | trans | 58.7 | 84.7 | -167.5 | -67.2 | 0 | 0 | 0 | 0 | 116.7 | S1426 | C1057-S1426 WeakPolarHBondContact SG-CB 3.2Å; C1057-S1426 PolarHBondContact SG-OG 3.34Å |
| 1058 | Q | 31.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 116 Ų | 116 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -176.1 | 116.8 | 136.3 | -103.6 | 168.9 | 13.8 | 0 | 0 | 109.1 | ||||
| 1059 | L | 33.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | trans | 168.3 | 54 | 148.7 | -94 | 171 | 0 | 0 | 0 | 113.6 | K1036 | K1036-L1059 VanDerWaalsContact NZ-CD1 3.31Š| ||
| 1060 | N | 29.1 | Very low | 31.7 | Very low | 158 Ų | 158 | 117.4 Ų | 117.4 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | S | Bend | -91.3 | 141.6 | 121.3 | -67.8 | -7.4 | 0 | 0 | 0 | 105.5 | |||
| 1061 | E | 28.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | cis | -147.3 | 129.7 | -22.7 | -95.5 | -169.4 | 129.8 | 0 | 0 | 106.8 | ||||
| 1062 | H | 29.4 | Very low | 29.6 | Very low | 182 Ų | 182 | 114.7 Ų | 114.7 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | trans | -151.2 | 70.1 | 163.9 | -90.9 | -17.1 | 0 | 0 | 0 | 110.4 | ||||
| 1063 | G | 25.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | trans | -86.4 | 140.1 | 132.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1064 | G | 26.4 | Very low | 28.1 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | cis | -168.4 | -167.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1065 | L | 26.4 | Very low | 27.8 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.1 | 126.2 | 172.1 | -122.8 | 72.8 | 0 | 0 | 0 | 111 | ||
| 1066 | T | 29.3 | Very low | 27.6 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 66.6 | 141.2 | 157.7 | 58 | 0 | 0 | 0 | 0 | 121 | ||||
| 1067 | N | 25.7 | Very low | 27.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 69.1 | 121.7 | 174.4 | -57.6 | -9.5 | 0 | 0 | 0 | 115.1 | ||||
| 1068 | C | 25.1 | Very low | 27.6 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | cis | -119.1 | 171.3 | 9.8 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1069 | Y | 23.8 | Very low | 27.5 | Very low | 216 Ų | 216 | 140 Ų | 140 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 164.3 | -171.8 | -89.6 | -102.5 | 0 | 0 | 0 | 114.9 | ||||
| 1070 | S | 23.3 | Very low | 27.9 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 55.9 | 113.5 | 152.7 | 58.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1071 | D | 27.1 | Very low | 28 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | -146.3 | 168.8 | 85.3 | -150.4 | -13.6 | 0 | 0 | 0 | 110.7 | |||||
| 1072 | G | 24.3 | Very low | 28.1 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -114.6 | 128.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1073 | S | 28.9 | Very low | 28.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -146.1 | 154.7 | 154.4 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1074 | I | 26.7 | Very low | 28.6 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | trans | -98 | 135.9 | -166.2 | -65.9 | 170.7 | 0 | 0 | 0 | 110.4 | K1076 | I1074-K1076 HydrophobicContact CG2-CD 4.28Å; I1074-K1076 HydrophobicContact CG2-CG 3.71Å | ||
| 1075 | N | 28.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -137.8 | 115 | 149.5 | -134.2 | -28.8 | 0 | 0 | 0 | 111.1 | ||||
| 1076 | K | 28.6 | Very low | 29 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -92.3 | 98.6 | -174.9 | -66.4 | 165.8 | -176.7 | 169.4 | 0 | 109.1 | I1074 | I1074-K1076 HydrophobicContact CG2-CD 4.28Å; I1074-K1076 HydrophobicContact CG2-CG 3.71Å | ||
| 1077 | N | 28.5 | Very low | 29 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -152.7 | 40.8 | 171 | -98.6 | -31.7 | 0 | 0 | 0 | 112.7 | ||||
| 1078 | L | 29.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -138 | 132.6 | 172.3 | -146.7 | 75.2 | 0 | 0 | 0 | 110.9 | ||||
| 1079 | L | 29.3 | Very low | 29.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 71.4 | 157.2 | -179.2 | -58.4 | 172.2 | 0 | 0 | 0 | 116.2 | ||||
| 1080 | P | 42.2 | Very low | 29.5 | Very low | 67 Ų | 67 | 142 Ų | 142 | 44% | 0.435 | 76% | 0.755 | S | S | . | * | cis | -128.9 | 118.6 | -1.1 | 13.7 | 12.6 | 0 | 0 | 0 | 114.6 | H1082 S1083 | P1080-H1082 HydrophobicContact CB-CB 4.15Å; P1080-H1082 PolarHBondContact O-N 3.09Å; P1080-S1083 WeakPolarHBondContact CG-OG 3.3Å; P1080-S1083 PolarHBondContact O-N 3.11Å; P1080-S1083 VanDerWaalsContact O-N 3.09Å | ||
| 1081 | L | 30.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -64.6 | -17.9 | 159.8 | -159.3 | 71.6 | 0 | 0 | 0 | 111.6 | S1083 F1084 | L1081-S1083 PolarHBondContact O-N 3.37Å; L1081-F1084 HydrophobicContact CD1-CD2 4.4Å; L1081-F1084 PolarHBondContact O-N 3.33Å |
| 1082 | H | 31 | Very low | 29.6 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -62.3 | -15.8 | 170.5 | -159.2 | -78.5 | 0 | 0 | 0 | 113.7 | P1080 | P1080-H1082 HydrophobicContact CB-CB 4.15Å; P1080-H1082 PolarHBondContact O-N 3.09Å |
| 1083 | S | 31.3 | Very low | 29.7 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 50% | 0.503 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -89.9 | -15.3 | 176.6 | -67 | 0 | 0 | 0 | 0 | 114.1 | P1080 L1081 L1085 | P1080-S1083 WeakPolarHBondContact CG-OG 3.3Å; P1080-S1083 PolarHBondContact O-N 3.11Å; P1080-S1083 VanDerWaalsContact O-N 3.09Å; L1081-S1083 PolarHBondContact O-N 3.37Å; S1083-L1085 VanDerWaalsContact C-N 3.34Å |
| 1084 | F | 33.1 | Very low | 29.5 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -77.5 | -18.4 | 177.3 | -90.7 | -87.1 | 0 | 0 | 0 | 113.7 | L1081 H1086 | L1081-F1084 HydrophobicContact CD1-CD2 4.4Å; L1081-F1084 PolarHBondContact O-N 3.33Å; F1084-H1086 PolarHBondContact O-N 3.02Å |
| 1085 | L | 31.7 | Very low | 29.4 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -82.9 | -3.6 | -179 | -70.5 | 171.4 | 0 | 0 | 0 | 114.8 | S1083 | S1083-L1085 VanDerWaalsContact C-N 3.34Š|
| 1086 | H | 30.3 | Very low | 29.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -121.7 | 7.2 | -176.4 | -93.3 | -79.6 | 0 | 0 | 0 | 115.8 | F1084 | F1084-H1086 PolarHBondContact O-N 3.02Š|
| 1087 | K | 29.1 | Very low | 29.1 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -122.7 | 26.5 | -179.2 | -144.9 | 176.8 | -177.8 | -179.9 | 0 | 115.7 | ||
| 1088 | R | 30.9 | Very low | 29 | Very low | 223 Ų | 223 | 141 Ų | 141 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -133.7 | 8.4 | 165.4 | -87.3 | -167.9 | 165.8 | 112.7 | -3.2 | 115.6 | S1090 | R1088-S1090 VanDerWaalsContact C-N 3.29Å; R1088-S1090 PolarHBondContact O-N 2.99Å |
| 1089 | N | 28.4 | Very low | 29.1 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -91.2 | 59.9 | 168.2 | -75.5 | 7.3 | 0 | 0 | 0 | 111.1 | ||||
| 1090 | S | 25.2 | Very low | 28.8 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -148.5 | 32.9 | 174.6 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | R1088 | R1088-S1090 VanDerWaalsContact C-N 3.29Å; R1088-S1090 PolarHBondContact O-N 2.99Å | ||
| 1091 | I | 29.1 | Very low | 28.2 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -119.4 | 119.4 | 157.9 | -63.8 | 179.6 | 0 | 0 | 0 | 105.7 | P1093 | I1091-P1093 WeakPolarHBondContact O-CD 3.41Š| ||
| 1092 | S | 24.8 | Very low | 27.8 | Very low | 88 Ų | 88 | 145.8 Ų | 145.8 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -93.5 | 117.8 | -177 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | N1094 | S1092-N1094 VanDerWaalsContact C-N 3.27Å; S1092-N1094 PolarHBondContact O-N 2.99Å | ||
| 1093 | P | 26.8 | Very low | 27.4 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | -87 | 68.1 | 164.6 | 35.6 | -31.9 | 0 | 0 | 0 | 109.6 | I1091 | I1091-P1093 WeakPolarHBondContact O-CD 3.41Š| ||
| 1094 | N | 23.8 | Very low | 27.2 | Very low | 118 Ų | 118 | 150 Ų | 150 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | -123.3 | 81.8 | 171.3 | -90.1 | -41.3 | 0 | 0 | 0 | 110.9 | S1092 | S1092-N1094 VanDerWaalsContact C-N 3.27Å; S1092-N1094 PolarHBondContact O-N 2.99Å | ||
| 1095 | Y | 24.8 | Very low | 26.7 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | -115.4 | 99.4 | 126.9 | -98.5 | -104.9 | 0 | 0 | 0 | 104.9 | |||||
| 1096 | T | 26.6 | Very low | 26.6 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 53% | 0.528 | 78% | 0.778 | S | S | . | * | 49 | 94.2 | 78.3 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1097 | S | 24.9 | Very low | 26.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 71.2 | 119.3 | 52.4 | -45.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1098 | I | 26.9 | Very low | 26.3 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -169.8 | 126.7 | 164.3 | -100.9 | 150.3 | 0 | 0 | 0 | 104.1 | ||||
| 1099 | N | 29.8 | Very low | 26.1 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -130.9 | 163.8 | -4.3 | -79.6 | -42 | 0 | 0 | 0 | 109.4 | ||||
| 1100 | G | 24.8 | Very low | 25.9 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 138.3 | 102.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1101 | K | 27.8 | Very low | 26 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -147.9 | 140.8 | 158.8 | -103.7 | 168.2 | -175.2 | 171.3 | 0 | 108.6 | ||||
| 1102 | R | 22.6 | Very low | 25.9 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -130.2 | 163.1 | -173.5 | -67.7 | -174.9 | -177.6 | 173.6 | 2.6 | 111.1 | ||||
| 1103 | Y | 23.3 | Very low | 25.9 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 152.1 | 169.2 | -44.3 | -71.6 | 0 | 0 | 0 | 114.1 | ||||
| 1104 | S | 26.2 | Very low | 25.8 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -132.7 | 159.8 | 6.5 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1105 | G | 23.5 | Very low | 26 | Very low | 77 Ų | 77 | 151.1 Ų | 151.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -93.2 | 168.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1106 | S | 29.6 | Very low | 26 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -137.8 | 136.1 | 163.2 | -74.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1107 | N | 23.8 | Very low | 26 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -77.6 | 150.9 | 176.3 | -63.9 | -50.4 | 0 | 0 | 0 | 111.5 | ||||
| 1108 | I | 29.6 | Very low | 26.2 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 132.1 | 141.9 | -96.8 | 145.1 | 0 | 0 | 0 | 106.9 | ||||
| 1109 | Q | 24.9 | Very low | 26.1 | Very low | 164 Ų | 164 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 152.5 | 175.8 | -90.6 | 173.1 | -80.3 | 0 | 0 | 111.3 | ||||
| 1110 | L | 25.5 | Very low | 26.4 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | 44.4 | 123.7 | 144.1 | -62.5 | 166.2 | 0 | 0 | 0 | 118.5 | ||||
| 1111 | N | 26.6 | Very low | 27 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | -159.1 | 161.9 | 96.5 | -112 | -41.9 | 0 | 0 | 0 | 114.8 | |||||
| 1112 | N | 27.7 | Very low | 28 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -115.6 | 124.8 | -170.8 | -169.3 | 11.3 | 0 | 0 | 0 | 110.3 | ||||
| 1113 | S | 23.7 | Very low | 29.9 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -176 | 144.2 | 159.3 | -91.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1114 | N | 24.7 | Very low | 32 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | 55.1 | 81.4 | 150.3 | -61.7 | -24.8 | 0 | 0 | 0 | 119.6 | ||||
| 1115 | R | 28 | Very low | 34.2 | Very low | 251 Ų | 251 | 122.5 Ų | 122.5 | 95% | 0.947 | 70% | 0.698 | S | S | * | * | trans | -142.4 | 81.7 | 145.5 | -113.1 | 179.9 | -165.7 | -158.5 | 4.2 | 113.6 | ||||
| 1116 | T | 24.9 | Very low | 36.9 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -65.5 | 160.9 | 157.1 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1117 | N | 26.7 | Very low | 39.8 | Very low | 159 Ų | 159 | 116.5 Ų | 116.5 | 85% | 0.85 | 64% | 0.64 | S | S | * | * | trans | 86.8 | 52.2 | 173.9 | -50 | -38 | 0 | 0 | 0 | 118.4 | ||||
| 1118 | S | 29.1 | Very low | 43 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 60% | 0.602 | S | S | * | * | trans | -150 | 121.5 | 142.9 | -171.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1119 | C | 26.1 | Very low | 45.7 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 72% | 0.716 | 58% | 0.581 | S | S | * | * | trans | -153.2 | -2.6 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1120 | T | 35.9 | Very low | 48.9 | Very low | 114 Ų | 114 | 101 Ų | 101 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -84.7 | -40.9 | 176.9 | 45.3 | 0 | 0 | 0 | 0 | 113 | S1123 | T1120-S1123 PolarHBondContact O-OG 2.99Š|
| 1121 | V | 36.4 | Very low | 52.2 | Low | 89 Ų | 89 | 94.4 Ų | 94.4 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -68.7 | -43 | -174.2 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | S1123 T1124 | V1121-S1123 PolarHBondContact O-N 3.09Å; V1121-S1123 VanDerWaalsContact O-N 3.1Å; V1121-T1124 PolarHBondContact O-N 2.78Å; V1121-T1124 PolarHBondContact O-OG1 2.78Å |
| 1122 | N | 48.3 | Very low | 55.3 | Low | 95 Ų | 95 | 87.4 Ų | 87.4 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.3 | -38 | -173.9 | -55.4 | 24.8 | 0 | 0 | 0 | 112.1 | T1124 V1125 T1126 | N1122-T1124 VanDerWaalsContact C-N 3.32Å; N1122-T1124 PolarHBondContact O-N 3.2Å; N1122-V1125 PolarHBondContact O-N 3.22Å; N1122-T1126 PolarHBondContact O-N 3.31Å; N1122-T1126 PolarHBondContact O-OG1 3.28Å |
| 1123 | S | 64.1 | Low | 58.3 | Low | 44 Ų | 44 | 86 Ų | 86 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -31.1 | -171 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | K1054 T1120 V1121 L1127 | K1054-S1123 WeakPolarHBondContact CD-OG 3.15Å; K1054-S1123 PolarHBondContact NZ-O 3.22Å; K1054-S1123 PolarHBondContact NZ-OG 3.2Å; T1120-S1123 PolarHBondContact O-OG 2.99Å; V1121-S1123 PolarHBondContact O-N 3.09Å; V1121-S1123 VanDerWaalsContact O-N 3.1Å; S1123-L1127 PolarHBondContact O-N 3.49Å |
| 1124 | T | 67.6 | Low | 61.7 | Low | 21 Ų | 21 | 81.2 Ų | 81.2 | 13% | 0.129 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.3 | -42.4 | 178.1 | 42.6 | 0 | 0 | 0 | 0 | 110.6 | V1121 N1122 T1126 L1127 L1128 | V1121-T1124 PolarHBondContact O-N 2.78Å; V1121-T1124 PolarHBondContact O-OG1 2.78Å; N1122-T1124 VanDerWaalsContact C-N 3.32Å; N1122-T1124 PolarHBondContact O-N 3.2Å; T1124-T1126 VanDerWaalsContact C-N 3.35Å; T1124-T1126 PolarHBondContact O-N 3.49Å; T1124-L1127 PolarHBondContact O-N 3.33Å; T1124-L1127 VanDerWaalsContact O-N 3.08Å; T1124-L1128 PolarHBondContact O-N 2.61Å |
| 1125 | V | 71.1 | Confident | 64.9 | Low | 87 Ų | 87 | 75.1 Ų | 75.1 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | N1122 L1127 L1128 S1129 | N1122-V1125 PolarHBondContact O-N 3.22Å; V1125-L1127 VanDerWaalsContact C-N 3.28Å; V1125-L1127 PolarHBondContact O-N 3.43Å; V1125-L1128 PolarHBondContact O-N 2.74Å; V1125-S1129 PolarHBondContact O-N 3.23Å; V1125-S1129 PolarHBondContact O-OG 3.18Å |
| 1126 | T | 81.7 | Confident | 67.7 | Low | 76 Ų | 76 | 67.2 Ų | 67.2 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 176 | -52.6 | 0 | 0 | 0 | 0 | 112.8 | N1122 T1124 S1129 M1130 | N1122-T1126 PolarHBondContact O-N 3.31Å; N1122-T1126 PolarHBondContact O-OG1 3.28Å; T1124-T1126 VanDerWaalsContact C-N 3.35Å; T1124-T1126 PolarHBondContact O-N 3.49Å; T1126-S1129 WeakPolarHBondContact CA-OG 3.12Å; T1126-S1129 PolarHBondContact O-OG 3.03Å; T1126-M1130 HydrophobicContact CG2-SD 4.44Å; T1126-M1130 WeakPolarHBondContact O-CG 3.34Å; T1126-M1130 PolarHBondContact O-N 3.02Å; T1126-M1130 VanDerWaalsContact O-N 3.11Å |
| 1127 | L | 89.5 | Confident | 70.6 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.5 | -38.3 | 179.3 | -166.7 | 60.6 | 0 | 0 | 0 | 111.6 | S1123 T1124 V1125 M1130 L1131 P1210 R1430 F1431 M1434 | S1123-L1127 PolarHBondContact O-N 3.49Å; T1124-L1127 PolarHBondContact O-N 3.33Å; T1124-L1127 VanDerWaalsContact O-N 3.08Å; V1125-L1127 VanDerWaalsContact C-N 3.28Å; V1125-L1127 PolarHBondContact O-N 3.43Å; L1127-M1130 PolarHBondContact O-N 3.11Å; L1127-L1131 WeakPolarHBondContact O-CG 3.34Å; L1127-L1131 PolarHBondContact O-N 3.13Å; L1127-P1210 HydrophobicContact CD1-CB 3.82Å; L1127-P1210 HydrophobicContact CD1-CG 4.1Å; L1127-R1430 HydrophobicContact CD2-CG 3.89Å; L1127-F1431 HydrophobicContact CD1-CE1 4.38Å; L1127-F1431 HydrophobicContact CD2-CD1 4.19Å; L1127-F1431 HydrophobicContact CD2-CE1 4.28Å; L1127-F1431 HydrophobicContact CG-CE1 4.45Å; L1127-M1434 HydrophobicContact CB-CG 4.37Å; L1127-M1434 HydrophobicContact CB-SD 3.93Å; L1127-M1434 HydrophobicContact CD2-CB 4.15Å; L1127-M1434 HydrophobicContact CD2-CG 4.18Å; L1127-M1434 HydrophobicContact CD2-SD 3.69Å; L1127-M1434 HydrophobicContact CG-CG 4.45Å; L1127-M1434 HydrophobicContact CG-SD 3.58Å; L1127-M1434 VanDerWaalsContact CG-SD 3.58Å |
| 1128 | L | 90 | Very high | 73.3 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 172.7 | -71.9 | 166.7 | 0 | 0 | 0 | 111.8 | T1124 V1125 M1130 L1131 S1132 N1396 M1434 H1438 | T1124-L1128 PolarHBondContact O-N 2.61Å; V1125-L1128 PolarHBondContact O-N 2.74Å; L1128-M1130 VanDerWaalsContact C-N 3.29Å; L1128-M1130 PolarHBondContact O-N 3.26Å; L1128-L1131 PolarHBondContact O-N 3.26Å; L1128-L1131 VanDerWaalsContact O-N 3.11Å; L1128-S1132 WeakPolarHBondContact O-CB 3.37Å; L1128-S1132 PolarHBondContact O-N 3.47Å; L1128-N1396 HydrophobicContact CD2-CB 4.27Å; L1128-M1434 HydrophobicContact CD2-CE 3.79Å; L1128-M1434 HydrophobicContact CD2-CG 3.92Å; L1128-M1434 HydrophobicContact CD2-SD 3.74Å; L1128-M1434 HydrophobicContact CG-CG 3.83Å; L1128-M1434 HydrophobicContact CG-SD 3.95Å; L1128-H1438 HydrophobicContact CD1-CB 3.99Å |
| 1129 | S | 87.8 | Confident | 75.5 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -31.3 | 177.2 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | V1125 T1126 R1133 | V1125-S1129 PolarHBondContact O-N 3.23Å; V1125-S1129 PolarHBondContact O-OG 3.18Å; T1126-S1129 WeakPolarHBondContact CA-OG 3.12Å; T1126-S1129 PolarHBondContact O-OG 3.03Å; S1129-R1133 WeakPolarHBondContact O-CB 3.43Å; S1129-R1133 PolarHBondContact O-N 2.93Å; S1129-R1133 VanDerWaalsContact O-N 3.16Å |
| 1130 | M | 91.9 | Very high | 77.5 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 170.8 | -70.8 | 175.7 | 85.5 | 0 | 0 | 112 | T1126 L1127 L1128 R1133 A1134 P1210 | T1126-M1130 HydrophobicContact CG2-SD 4.44Å; T1126-M1130 WeakPolarHBondContact O-CG 3.34Å; T1126-M1130 PolarHBondContact O-N 3.02Å; T1126-M1130 VanDerWaalsContact O-N 3.11Å; L1127-M1130 PolarHBondContact O-N 3.11Å; L1128-M1130 VanDerWaalsContact C-N 3.29Å; L1128-M1130 PolarHBondContact O-N 3.26Å; M1130-R1133 PolarHBondContact O-N 3.49Å; M1130-A1134 WeakPolarHBondContact O-CB 3.41Å; M1130-A1134 PolarHBondContact O-N 3.47Å; M1130-P1210 HydrophobicContact CB-CG 3.55Å; M1130-P1210 HydrophobicContact CE-CB 3.96Å; M1130-P1210 HydrophobicContact CE-CG 3.84Å; M1130-P1210 HydrophobicContact CG-CG 4.39Å; M1130-P1210 HydrophobicContact SD-CB 4.29Å; M1130-P1210 HydrophobicContact SD-CG 4.09Å |
| 1131 | L | 94.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 177.4 | -73.8 | 176.5 | 0 | 0 | 0 | 113.4 | L1127 L1128 A1134 Y1135 V1209 W1399 A1403 F1431 M1434 | L1127-L1131 WeakPolarHBondContact O-CG 3.34Å; L1127-L1131 PolarHBondContact O-N 3.13Å; L1128-L1131 PolarHBondContact O-N 3.26Å; L1128-L1131 VanDerWaalsContact O-N 3.11Å; L1131-A1134 PolarHBondContact O-N 3.4Å; L1131-Y1135 VanDerWaalsContact O-CB 3.29Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; L1131-Y1135 PolarHBondContact O-N 3.41Å; L1131-V1209 HydrophobicContact CD2-CG1 4.23Å; L1131-V1209 HydrophobicContact CD2-CG2 4.18Å; L1131-W1399 HydrophobicContact CB-CB 4.16Å; L1131-A1403 HydrophobicContact CD1-CB 3.79Å; L1131-A1403 HydrophobicContact CD2-CB 3.73Å; L1131-A1403 HydrophobicContact CG-CB 4.43Å; L1131-F1431 HydrophobicContact CD1-CD1 4.09Å; L1131-F1431 HydrophobicContact CD1-CE1 4.07Å; L1131-F1431 HydrophobicContact CD2-CE1 4.42Å; L1131-M1434 HydrophobicContact CD1-CE 3.52Å; L1131-M1434 HydrophobicContact CD1-SD 3.64Å |
| 1132 | S | 92.1 | Very high | 79.1 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -49.9 | -58.3 | 165.3 | 142.3 | 0 | 0 | 0 | 0 | 109.6 | L1128 A1134 Y1135 E1136 W1399 | L1128-S1132 WeakPolarHBondContact O-CB 3.37Å; L1128-S1132 PolarHBondContact O-N 3.47Å; S1132-A1134 VanDerWaalsContact C-N 3.32Å; S1132-A1134 PolarHBondContact O-N 2.97Å; S1132-Y1135 PolarHBondContact O-N 3.09Å; S1132-Y1135 VanDerWaalsContact O-N 3.1Å; S1132-E1136 WeakPolarHBondContact O-CB 3.33Å; S1132-E1136 VanDerWaalsContact O-CG 3.27Å; S1132-E1136 WeakPolarHBondContact O-CG 3.48Å; S1132-E1136 PolarHBondContact O-N 3.11Å; S1132-E1136 PolarHBondContact OG-OE1 2.98Å; S1132-W1399 VanDerWaalsContact CB-CE3 3.46Å; S1132-W1399 VanDerWaalsContact CB-CZ3 3.49Å |
| 1133 | R | 90.7 | Very high | 78.1 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | -176.5 | -167.2 | 70 | -152.1 | 108 | 13.5 | 112.7 | S1129 M1130 E1136 M1137 | S1129-R1133 WeakPolarHBondContact O-CB 3.43Å; S1129-R1133 PolarHBondContact O-N 2.93Å; S1129-R1133 VanDerWaalsContact O-N 3.16Å; M1130-R1133 PolarHBondContact O-N 3.49Å; R1133-E1136 IonicContact NH1-OE2 2.77Å; R1133-E1136 PolarHBondContact NH1-OE2 2.97Å; R1133-E1136 VanDerWaalsContact NH1-OE2 3.09Å; R1133-M1137 HydrophobicContact CG-SD 4.31Å; R1133-M1137 WeakPolarHBondContact O-CB 3.39Å; R1133-M1137 WeakPolarHBondContact O-CG 3.09Å; R1133-M1137 PolarHBondContact O-N 2.95Å; R1133-M1137 VanDerWaalsContact O-N 3.11Å |
| 1134 | A | 93.4 | Very high | 76.4 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1130 L1131 S1132 M1137 Y1205 L1208 | M1130-A1134 WeakPolarHBondContact O-CB 3.41Å; M1130-A1134 PolarHBondContact O-N 3.47Å; L1131-A1134 PolarHBondContact O-N 3.4Å; S1132-A1134 VanDerWaalsContact C-N 3.32Å; S1132-A1134 PolarHBondContact O-N 2.97Å; A1134-M1137 PolarHBondContact O-N 3.16Å; A1134-Y1205 HydrophobicContact CB-CD2 4.47Å; A1134-Y1205 HydrophobicContact CB-CE2 4.27Å; A1134-L1208 HydrophobicContact CB-CB 3.68Å |
| 1135 | Y | 92.7 | Very high | 74.5 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 9% | 0.086 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 179.4 | -165 | -81.5 | 0 | 0 | 0 | 112.1 | L1131 S1132 M1137 V1138 Y1205 R1235 I1398 W1399 A1402 | L1131-Y1135 VanDerWaalsContact O-CB 3.29Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; L1131-Y1135 PolarHBondContact O-N 3.41Å; S1132-Y1135 PolarHBondContact O-N 3.09Å; S1132-Y1135 VanDerWaalsContact O-N 3.1Å; Y1135-M1137 VanDerWaalsContact C-N 3.31Å; Y1135-M1137 PolarHBondContact O-N 2.82Å; Y1135-V1138 VanDerWaalsContact O-O 3.06Å; Y1135-Y1205 HydrophobicContact CD2-CE2 4.13Å; Y1135-R1235 HydrophobicContact CE2-CG 3.94Å; Y1135-I1398 HydrophobicContact CE2-CG2 4.11Å; Y1135-W1399 AromaticContact CD1-CD1 3.67Å; Y1135-W1399 AromaticContact CD1-NE1 3.73Å; Y1135-W1399 AromaticContact CD2-CD1 3.84Å; Y1135-W1399 AromaticContact CG-CD1 3.41Å; Y1135-W1399 VanDerWaalsContact CG-CD1 3.41Å; Y1135-W1399 HydrophobicContact CG-CG 4.47Å; Y1135-W1399 AromaticContact CG-NE1 3.91Å; Y1135-A1402 HydrophobicContact CD2-CB 3.96Å; Y1135-A1402 HydrophobicContact CE2-CB 3.86Å |
| 1136 | E | 87.9 | Confident | 72.3 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10 | 175.7 | -67.9 | 162.6 | -157.7 | 0 | 0 | 114.9 | S1132 R1133 | S1132-E1136 WeakPolarHBondContact O-CB 3.33Å; S1132-E1136 VanDerWaalsContact O-CG 3.27Å; S1132-E1136 WeakPolarHBondContact O-CG 3.48Å; S1132-E1136 PolarHBondContact O-N 3.11Å; S1132-E1136 PolarHBondContact OG-OE1 2.98Å; R1133-E1136 IonicContact NH1-OE2 2.77Å; R1133-E1136 PolarHBondContact NH1-OE2 2.97Å; R1133-E1136 VanDerWaalsContact NH1-OE2 3.09Å |
| 1137 | M | 85.6 | Confident | 69.6 | Low | 88 Ų | 88 | 67.3 Ų | 67.3 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.5 | 179 | -90.4 | -176.4 | 61.9 | 0 | 0 | 113.6 | R1133 A1134 Y1135 L1208 | R1133-M1137 HydrophobicContact CG-SD 4.31Å; R1133-M1137 WeakPolarHBondContact O-CB 3.39Å; R1133-M1137 WeakPolarHBondContact O-CG 3.09Å; R1133-M1137 PolarHBondContact O-N 2.95Å; R1133-M1137 VanDerWaalsContact O-N 3.11Å; A1134-M1137 PolarHBondContact O-N 3.16Å; Y1135-M1137 VanDerWaalsContact C-N 3.31Å; Y1135-M1137 PolarHBondContact O-N 2.82Å; M1137-L1208 HydrophobicContact CB-CD1 3.69Å; M1137-L1208 HydrophobicContact CE-CD1 3.84Å; M1137-L1208 HydrophobicContact CE-CD2 3.98Å; M1137-L1208 HydrophobicContact SD-CD1 4.24Å |
| 1138 | V | 83.4 | Confident | 66.5 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -129.5 | 142.7 | -171.8 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | Y1135 E1201 H1204 L1208 R1235 | Y1135-V1138 VanDerWaalsContact O-O 3.06Å; V1138-E1201 HydrophobicContact CG1-CB 3.96Å; V1138-E1201 WeakPolarHBondContact CG1-O 3.47Å; V1138-H1204 HydrophobicContact CG2-CB 4.47Å; V1138-L1208 HydrophobicContact CG2-CD1 3.98Å; V1138-R1235 PolarHBondContact O-NH2 3.38Å |
| 1139 | G | 74.5 | Confident | 63.4 | Low | 21 Ų | 21 | 79.4 Ų | 79.4 | 22% | 0.216 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 89.6 | 162.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1141 E1358 | G1139-R1141 PolarHBondContact O-N 2.96Å; G1139-E1358 VanDerWaalsContact CA-O 3.3Å; G1139-E1358 WeakPolarHBondContact CA-O 3.28Å; G1139-E1358 WeakPolarHBondContact CA-OE2 3.42Å |
| 1140 | P | 68.9 | Low | 60.5 | Low | 43 Ų | 43 | 82.2 Ų | 82.2 | 28% | 0.279 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -59 | 130.6 | 170 | 27.2 | -35.5 | 0 | 0 | 0 | 109.2 | I1142 V1356 F1357 E1358 | P1140-I1142 PolarHBondContact O-N 3.47Å; P1140-V1356 HydrophobicContact CB-CG1 4.42Å; P1140-V1356 HydrophobicContact CG-CG1 3.8Å; P1140-F1357 WeakPolarHBondContact CD-O 3.42Å; P1140-F1357 WeakPolarHBondContact CG-O 3.43Å; P1140-E1358 WeakPolarHBondContact CD-O 3.4Å |
| 1141 | R | 55.9 | Low | 57.3 | Low | 195 Ų | 195 | 84.5 Ų | 84.5 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | trans | -61.9 | 133.9 | 174.7 | -68.5 | -174 | -175.3 | 172.8 | 4.7 | 109.2 | G1139 H1143 | G1139-R1141 PolarHBondContact O-N 2.96Å; R1141-H1143 PolarHBondContact O-N 3.32Å | ||
| 1142 | I | 49.6 | Very low | 54.1 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | trans | -71.5 | 75.3 | 166.1 | -49.5 | 176.8 | 0 | 0 | 0 | 107.8 | P1140 M1242 | P1140-I1142 PolarHBondContact O-N 3.47Å; I1142-M1242 HydrophobicContact CD1-CG 4.27Å | ||
| 1143 | H | 27.8 | Very low | 50.8 | Low | 135 Ų | 135 | 97.6 Ų | 97.6 | 63% | 0.625 | 50% | 0.501 | S | S | * | . | trans | -65.5 | 133.6 | 153.8 | -108.9 | -94.9 | 0 | 0 | 0 | 106.7 | R1141 V1145 | R1141-H1143 PolarHBondContact O-N 3.32Å; H1143-V1145 PolarHBondContact O-N 3.48Å | ||
| 1144 | P | 28.1 | Very low | 47.8 | Very low | 81 Ų | 81 | 98.5 Ų | 98.5 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | trans | -59.7 | 113.1 | 158.4 | 27 | -31 | 0 | 0 | 0 | 105.8 | I1146 | P1144-I1146 PolarHBondContact O-N 2.94Š| ||
| 1145 | V | 26.7 | Very low | 44.7 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 61% | 0.606 | 55% | 0.55 | S | S | * | . | trans | -76.4 | 77.4 | -178.8 | -166 | 0 | 0 | 0 | 0 | 108 | H1143 V1147 | H1143-V1145 PolarHBondContact O-N 3.48Å; V1145-V1147 HydrophobicContact CG1-CG2 3.64Å; V1145-V1147 PolarHBondContact O-N 2.87Å | ||
| 1146 | I | 24.6 | Very low | 41.5 | Very low | 127 Ų | 127 | 109.8 Ų | 109.8 | 65% | 0.651 | 58% | 0.576 | S | S | * | * | trans | -64.5 | 89.4 | 161.9 | -63 | 177.8 | 0 | 0 | 0 | 105.6 | P1144 N1148 | P1144-I1146 PolarHBondContact O-N 2.94Å; I1146-N1148 HydrophobicContact CG2-CB 4.2Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.43Å; I1146-N1148 PolarHBondContact O-N 2.78Å | ||
| 1147 | V | 26.7 | Very low | 38.6 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | trans | -74.1 | 69.9 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 107.7 | V1145 H1149 | V1145-V1147 HydrophobicContact CG1-CG2 3.64Å; V1145-V1147 PolarHBondContact O-N 2.87Å; V1147-H1149 HydrophobicContact CG1-CB 4.2Å; V1147-H1149 VanDerWaalsContact CG1-CD2 3.41Å; V1147-H1149 WeakPolarHBondContact CG1-CD2 3.44Å; V1147-H1149 PolarHBondContact O-N 3.29Å | ||
| 1148 | N | 23 | Very low | 35.7 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | trans | -73 | 70.4 | 160.3 | -87.9 | 46.2 | 0 | 0 | 0 | 108.2 | I1146 D1150 | I1146-N1148 HydrophobicContact CG2-CB 4.2Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.43Å; I1146-N1148 PolarHBondContact O-N 2.78Å; N1148-D1150 PolarHBondContact ND2-OD2 3.03Å; N1148-D1150 PolarHBondContact O-N 2.68Å; N1148-D1150 VanDerWaalsContact O-N 3.1Å | ||
| 1149 | H | 25.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | trans | -78.4 | 61.5 | 152.4 | -82.3 | -45.8 | 0 | 0 | 0 | 108.7 | V1147 N1151 | V1147-H1149 HydrophobicContact CG1-CB 4.2Å; V1147-H1149 VanDerWaalsContact CG1-CD2 3.41Å; V1147-H1149 WeakPolarHBondContact CG1-CD2 3.44Å; V1147-H1149 PolarHBondContact O-N 3.29Å; H1149-N1151 PolarHBondContact O-N 3.3Å | ||
| 1150 | D | 27.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 123.7 | 160.2 | -74.5 | -53.8 | 0 | 0 | 0 | 107.6 | N1148 S1152 | N1148-D1150 PolarHBondContact ND2-OD2 3.03Å; N1148-D1150 PolarHBondContact O-N 2.68Å; N1148-D1150 VanDerWaalsContact O-N 3.1Å; D1150-S1152 PolarHBondContact O-N 2.84Å | ||
| 1151 | N | 24.9 | Very low | 28.5 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -76.7 | 113.5 | -166.3 | -76.8 | -77.5 | 0 | 0 | 0 | 112.2 | H1149 | H1149-N1151 PolarHBondContact O-N 3.3Š| ||
| 1152 | S | 26.8 | Very low | 27 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | trans | -117.5 | 70.2 | 157.8 | 42.6 | 0 | 0 | 0 | 0 | 111 | D1150 | D1150-S1152 PolarHBondContact O-N 2.84Š| ||
| 1153 | F | 23.8 | Very low | 26.1 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | -35.9 | 139 | 147.4 | -104.8 | -134.3 | 0 | 0 | 0 | 110.1 | ||||
| 1154 | I | 26.3 | Very low | 25.9 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | cis | -162.9 | 137.5 | 41.6 | -99.1 | 139.7 | 0 | 0 | 0 | 112 | ||||
| 1155 | Q | 28.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 153.4 | 93.1 | 142.3 | -91.5 | 173.6 | -1.5 | 0 | 0 | 109.2 | ||||
| 1156 | S | 25.1 | Very low | 25.9 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | 68 | 122.5 | 84.6 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1157 | H | 27.3 | Very low | 25.8 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | cis | -143.1 | 165.6 | 12.2 | -81.9 | -91.8 | 0 | 0 | 0 | 109.4 | ||||
| 1158 | E | 24.8 | Very low | 25.8 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | cis | -175.4 | 154.6 | -19.9 | 173.8 | -179.8 | 135.6 | 0 | 0 | 108.2 | ||||
| 1159 | C | 24.4 | Very low | 26 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 71.1 | 159.3 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1160 | S | 21.6 | Very low | 26 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -113.8 | 81.6 | 177.2 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1161 | K | 29.4 | Very low | 26.1 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -124.4 | 91.9 | 164.4 | -74.7 | -173.1 | 179.7 | 175.6 | 0 | 111.9 | ||||
| 1162 | K | 25 | Very low | 26.1 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 20.2 | 123.5 | 142.6 | -56.7 | -174.3 | 175.1 | -163 | 0 | 117.8 | ||||
| 1163 | H | 29.2 | Very low | 26.1 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | -115.5 | 127.8 | 125.4 | -100 | -92 | 0 | 0 | 0 | 107.8 | |||||
| 1164 | D | 25.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | trans | -76.7 | 142.9 | -176 | -64.6 | -71.9 | 0 | 0 | 0 | 111.4 | ||||
| 1165 | V | 25.2 | Very low | 26.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -91.4 | 106.2 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1166 | S | 27.7 | Very low | 26.3 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -122.5 | 125.6 | 169.8 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1167 | N | 23.3 | Very low | 26.3 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -53.8 | 136.9 | -172.6 | -51.7 | -49.6 | 0 | 0 | 0 | 113.3 | ||||
| 1168 | G | 26.6 | Very low | 26.7 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -165.6 | 79.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1169 | E | 28.3 | Very low | 27 | Very low | 199 Ų | 199 | 136 Ų | 136 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | 63.3 | 157.6 | 160.5 | -56.8 | -169.3 | 143.5 | 0 | 0 | 119.8 | ||||
| 1170 | V | 25.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -107.7 | 130.8 | -174 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1171 | G | 28.3 | Very low | 29 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -141.1 | 85.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1173 | G1171-S1173 PolarHBondContact O-N 3.07Š| ||
| 1172 | D | 25.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 95.8 | 170.7 | -89.9 | -49.5 | 0 | 0 | 0 | 110.1 | ||||
| 1173 | S | 25.9 | Very low | 33.6 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -155.8 | 50.9 | 179.5 | -74.2 | 0 | 0 | 0 | 0 | 113.5 | G1171 Q1175 | G1171-S1173 PolarHBondContact O-N 3.07Å; S1173-Q1175 VanDerWaalsContact C-N 3.31Å; S1173-Q1175 PolarHBondContact O-N 3.33Å | ||
| 1174 | L | 30 | Very low | 36.3 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -95.7 | 51.4 | 164.3 | -114.4 | 81.4 | 0 | 0 | 0 | 112.5 | ||||
| 1175 | Q | 26.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 126.4 Ų | 126.4 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | trans | -128.5 | 83 | 159 | -78.4 | -169.5 | -18.6 | 0 | 0 | 108.3 | S1173 | S1173-Q1175 VanDerWaalsContact C-N 3.31Å; S1173-Q1175 PolarHBondContact O-N 3.33Å | ||
| 1176 | T | 26.5 | Very low | 42.3 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -124.9 | 153.2 | 177.1 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1177 | S | 25.7 | Very low | 45.4 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | trans | -51.7 | 147.1 | -177.2 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | D1179 | S1177-D1179 PolarHBondContact OG-N 3.15Å; S1177-D1179 VanDerWaalsContact OG-N 3.13Å | ||
| 1178 | P | 35.5 | Very low | 48.6 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.1 | -8.9 | 164.9 | 33.3 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 1179 | D | 30.7 | Very low | 51.5 | Low | 125 Ų | 125 | 116.2 Ų | 116.2 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -80.2 | 153.1 | 173.4 | -64 | -53.1 | 0 | 0 | 0 | 112 | S1177 | S1177-D1179 PolarHBondContact OG-N 3.15Å; S1177-D1179 VanDerWaalsContact OG-N 3.13Å |
| 1180 | D | 34 | Very low | 54.6 | Low | 171 Ų | 171 | 109.9 Ų | 109.9 | 91% | 0.914 | 61% | 0.608 | S | S | * | * | trans | 64.5 | 37.3 | 178.8 | -64.5 | -19.5 | 0 | 0 | 0 | 117.7 | ||||
| 1181 | T | 54.2 | Low | 57.9 | Low | 75 Ų | 75 | 103.4 Ų | 103.4 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | trans | -81.4 | 110.9 | 151.7 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | I1183 | T1181-I1183 PolarHBondContact O-N 3.48Š| ||
| 1182 | Q | 68.3 | Low | 60.8 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | trans | -55.7 | 125.3 | 168.3 | -88.9 | -176.2 | -30.5 | 0 | 0 | 110.3 | ||||
| 1183 | I | 82.3 | Confident | 64 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | trans | -71.3 | 133.5 | 171.6 | -60.4 | 174.9 | 0 | 0 | 0 | 108.2 | T1181 T1188 K1370 | T1181-I1183 PolarHBondContact O-N 3.48Å; I1183-T1188 WeakPolarHBondContact CG2-OG1 3.19Å; I1183-K1370 WeakPolarHBondContact CA-O 3.46Å | ||
| 1184 | D | 87.2 | Confident | 67.2 | Low | 56 Ų | 56 | 91.4 Ų | 91.4 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | trans | -102.9 | 112.8 | -176.4 | -175.5 | -36.5 | 0 | 0 | 0 | 110.1 | Q1186 Y1187 T1188 K1370 | D1184-Q1186 PolarHBondContact O-N 3.11Å; D1184-Q1186 VanDerWaalsContact OD1-CB 3.31Å; D1184-Q1186 WeakPolarHBondContact OD1-CB 3.4Å; D1184-Q1186 PolarHBondContact OD1-N 3.35Å; D1184-Y1187 HydrophobicContact CB-CD2 3.78Å; D1184-Y1187 VanDerWaalsContact CG-CD2 3.43Å; D1184-Y1187 PolarHBondContact O-N 3.01Å; D1184-Y1187 PolarHBondContact OD1-N 2.9Å; D1184-Y1187 WeakPolarHBondContact OD2-CD2 3.41Å; D1184-Y1187 WeakPolarHBondContact OD2-CE2 3.39Å; D1184-T1188 WeakPolarHBondContact O-CB 3.45Å; D1184-T1188 PolarHBondContact O-N 3.22Å; D1184-T1188 PolarHBondContact O-OG1 3.42Å; D1184-T1188 VanDerWaalsContact O-OG1 3.04Å; D1184-K1370 HydrophobicContact CB-CB 4.28Å; D1184-K1370 PolarHBondContact N-O 2.95Å | ||
| 1185 | E | 85.6 | Confident | 70.2 | Confident | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.6 | -29.7 | -177.5 | -168.7 | 177 | -176.7 | 0 | 0 | 113 | T1189 | E1185-T1189 WeakPolarHBondContact O-CB 3.48Å; E1185-T1189 PolarHBondContact O-N 3.07Å; E1185-T1189 PolarHBondContact O-OG1 2.9Å |
| 1186 | Q | 89.8 | Confident | 73.3 | Confident | 145 Ų | 145 | 78 Ų | 78 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.4 | -47.8 | 177.9 | -175.2 | -179.2 | -14.3 | 0 | 0 | 111.1 | D1184 T1188 T1189 K1190 | D1184-Q1186 PolarHBondContact O-N 3.11Å; D1184-Q1186 VanDerWaalsContact OD1-CB 3.31Å; D1184-Q1186 WeakPolarHBondContact OD1-CB 3.4Å; D1184-Q1186 PolarHBondContact OD1-N 3.35Å; Q1186-T1188 VanDerWaalsContact C-N 3.33Å; Q1186-T1189 PolarHBondContact O-N 3.16Å; Q1186-K1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-K1190 PolarHBondContact O-N 2.97Å |
| 1187 | Y | 92.2 | Very high | 76.3 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 176.3 | -66 | -64.9 | 0 | 0 | 0 | 111.8 | D1184 K1190 F1191 E1367 K1370 | D1184-Y1187 HydrophobicContact CB-CD2 3.78Å; D1184-Y1187 VanDerWaalsContact CG-CD2 3.43Å; D1184-Y1187 PolarHBondContact O-N 3.01Å; D1184-Y1187 PolarHBondContact OD1-N 2.9Å; D1184-Y1187 WeakPolarHBondContact OD2-CD2 3.41Å; D1184-Y1187 WeakPolarHBondContact OD2-CE2 3.39Å; Y1187-K1190 WeakPolarHBondContact O-CB 3.2Å; Y1187-K1190 PolarHBondContact O-N 3.25Å; Y1187-F1191 PolarHBondContact O-N 2.96Å; Y1187-E1367 HydrophobicContact CD1-CB 3.82Å; Y1187-E1367 HydrophobicContact CD1-CG 3.66Å; Y1187-E1367 HydrophobicContact CE1-CB 4.24Å; Y1187-E1367 HydrophobicContact CE1-CG 3.55Å; Y1187-E1367 WeakPolarHBondContact CE1-OE1 3.49Å; Y1187-E1367 HydrophobicContact CG-CB 4.4Å; Y1187-K1370 HydrophobicContact CD2-CB 3.84Å; Y1187-K1370 HydrophobicContact CE2-CB 4.5Å; Y1187-K1370 HydrophobicContact CG-CB 4.41Å |
| 1188 | T | 90.4 | Very high | 79.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | I1183 D1184 Q1186 K1190 F1191 C1192 S1371 L1526 | I1183-T1188 WeakPolarHBondContact CG2-OG1 3.19Å; D1184-T1188 WeakPolarHBondContact O-CB 3.45Å; D1184-T1188 PolarHBondContact O-N 3.22Å; D1184-T1188 PolarHBondContact O-OG1 3.42Å; D1184-T1188 VanDerWaalsContact O-OG1 3.04Å; Q1186-T1188 VanDerWaalsContact C-N 3.33Å; T1188-K1190 PolarHBondContact O-N 3.48Å; T1188-F1191 WeakPolarHBondContact O-CB 3.1Å; T1188-F1191 PolarHBondContact O-N 2.94Å; T1188-C1192 PolarHBondContact O-N 2.93Å; T1188-S1371 WeakPolarHBondContact OG1-CA 3.32Å; T1188-S1371 PolarHBondContact OG1-O 3.38Å; T1188-L1526 HydrophobicContact CG2-CD1 3.6Å; T1188-L1526 HydrophobicContact CG2-CD2 3.33Å; T1188-L1526 HydrophobicContact CG2-CG 4.1Å |
| 1189 | T | 89.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175.9 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | E1185 Q1186 F1191 C1192 S1193 | E1185-T1189 WeakPolarHBondContact O-CB 3.48Å; E1185-T1189 PolarHBondContact O-N 3.07Å; E1185-T1189 PolarHBondContact O-OG1 2.9Å; Q1186-T1189 PolarHBondContact O-N 3.16Å; T1189-F1191 PolarHBondContact O-N 2.99Å; T1189-C1192 PolarHBondContact O-N 3.29Å; T1189-S1193 PolarHBondContact O-N 2.94Å |
| 1190 | K | 93.7 | Very high | 85 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.5 | -50.5 | 171.3 | 179.8 | -177.6 | 172.4 | -173.3 | 0 | 110.5 | Q1186 Y1187 T1188 C1192 S1193 I1194 S1362 M1363 E1367 | Q1186-K1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-K1190 PolarHBondContact O-N 2.97Å; Y1187-K1190 WeakPolarHBondContact O-CB 3.2Å; Y1187-K1190 PolarHBondContact O-N 3.25Å; T1188-K1190 PolarHBondContact O-N 3.48Å; K1190-C1192 PolarHBondContact O-N 3.33Å; K1190-S1193 PolarHBondContact O-N 3.41Å; K1190-S1193 PolarHBondContact O-OG 2.89Å; K1190-I1194 HydrophobicContact CD-CD1 4.38Å; K1190-I1194 HydrophobicContact CG-CD1 3.77Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.27Å; K1190-I1194 PolarHBondContact O-N 2.88Å; K1190-I1194 VanDerWaalsContact O-N 3.1Å; K1190-S1362 WeakPolarHBondContact CE-O 3.45Å; K1190-S1362 PolarHBondContact NZ-O 3.15Å; K1190-M1363 HydrophobicContact CD-CE 4.43Å; K1190-M1363 HydrophobicContact CD-CG 4.22Å; K1190-M1363 HydrophobicContact CD-SD 4.48Å; K1190-M1363 HydrophobicContact CG-SD 4.34Å; K1190-E1367 IonicContact NZ-OE1 2.73Å; K1190-E1367 PolarHBondContact NZ-OE1 3.17Å; K1190-E1367 IonicContact NZ-OE2 2.66Å; K1190-E1367 PolarHBondContact NZ-OE2 3.38Å |
| 1191 | F | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 178.7 | 179.6 | -97.6 | 0 | 0 | 0 | 112.3 | Y1187 T1188 T1189 S1193 I1194 L1195 F1357 M1363 L1368 F1373 W1376 L1519 L1523 | Y1187-F1191 PolarHBondContact O-N 2.96Å; T1188-F1191 WeakPolarHBondContact O-CB 3.1Å; T1188-F1191 PolarHBondContact O-N 2.94Å; T1189-F1191 PolarHBondContact O-N 2.99Å; F1191-S1193 PolarHBondContact O-N 3.32Å; F1191-I1194 PolarHBondContact O-N 3.1Å; F1191-L1195 HydrophobicContact CE1-CD2 3.88Å; F1191-L1195 HydrophobicContact CZ-CD2 4.38Å; F1191-L1195 WeakPolarHBondContact O-CB 3.37Å; F1191-L1195 PolarHBondContact O-N 3.16Å; F1191-F1357 HydrophobicContact CD2-CZ 4.18Å; F1191-F1357 AromaticContact CE2-CE1 3.96Å; F1191-F1357 HydrophobicContact CE2-CE1 3.96Å; F1191-F1357 AromaticContact CE2-CZ 3.84Å; F1191-F1357 HydrophobicContact CE2-CZ 3.84Å; F1191-M1363 HydrophobicContact CB-CE 4.06Å; F1191-M1363 HydrophobicContact CB-SD 3.82Å; F1191-M1363 HydrophobicContact CD2-SD 3.9Å; F1191-M1363 HydrophobicContact CG-SD 4.37Å; F1191-L1368 HydrophobicContact CD2-CD2 3.61Å; F1191-L1368 HydrophobicContact CE2-CD2 3.9Å; F1191-F1373 HydrophobicContact CB-CE2 4.41Å; F1191-F1373 HydrophobicContact CD1-CD1 4.38Å; F1191-F1373 AromaticContact CD1-CD2 3.75Å; F1191-F1373 HydrophobicContact CD1-CD2 3.75Å; F1191-F1373 AromaticContact CD1-CE1 3.98Å; F1191-F1373 HydrophobicContact CD1-CE1 3.98Å; F1191-F1373 AromaticContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CG 4.28Å; F1191-F1373 AromaticContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD1-CZ 3.44Å; F1191-F1373 VanDerWaalsContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD2-CD2 4.34Å; F1191-F1373 AromaticContact CE1-CD1 3.77Å; F1191-F1373 HydrophobicContact CE1-CD1 3.77Å; F1191-F1373 AromaticContact CE1-CD2 3.99Å; F1191-F1373 HydrophobicContact CE1-CD2 3.99Å; F1191-F1373 AromaticContact CE1-CE1 3.36Å; F1191-F1373 HydrophobicContact CE1-CE1 3.36Å; F1191-F1373 AromaticContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CG 4.07Å; F1191-F1373 AromaticContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE2-CD1 4.48Å; F1191-F1373 HydrophobicContact CE2-CG 4.34Å; F1191-F1373 AromaticContact CG-CD2 3.93Å; F1191-F1373 HydrophobicContact CG-CD2 3.93Å; F1191-F1373 AromaticContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CZ 4.42Å; F1191-F1373 AromaticContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD2 4.38Å; F1191-F1373 AromaticContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE2 4.44Å; F1191-F1373 HydrophobicContact CZ-CG 4.09Å; F1191-F1373 HydrophobicContact CZ-CZ 4.2Å; F1191-W1376 HydrophobicContact CE2-CH2 4.31Å; F1191-W1376 AromaticContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CZ-CH2 4.43Å; F1191-W1376 HydrophobicContact CZ-CZ3 4.14Å; F1191-L1519 HydrophobicContact CZ-CD1 4.4Å; F1191-L1523 HydrophobicContact CE1-CD2 4.21Å |
| 1192 | C | 90.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.3 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | T1188 T1189 K1190 I1194 L1195 E1196 L1526 Y1534 | T1188-C1192 PolarHBondContact O-N 2.93Å; T1189-C1192 PolarHBondContact O-N 3.29Å; K1190-C1192 PolarHBondContact O-N 3.33Å; C1192-I1194 VanDerWaalsContact C-N 3.29Å; C1192-I1194 PolarHBondContact O-N 3.01Å; C1192-L1195 PolarHBondContact O-N 2.96Å; C1192-E1196 PolarHBondContact O-N 3.1Å; C1192-L1526 WeakPolarHBondContact SG-CD1 3.2Å; C1192-Y1534 HydrophobicContact CB-CD1 4.22Å; C1192-Y1534 HydrophobicContact CB-CE1 3.49Å; C1192-Y1534 VanDerWaalsContact CB-CE1 3.49Å |
| 1193 | S | 91.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 177.5 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | T1189 K1190 F1191 E1197 | T1189-S1193 PolarHBondContact O-N 2.94Å; K1190-S1193 PolarHBondContact O-N 3.41Å; K1190-S1193 PolarHBondContact O-OG 2.89Å; F1191-S1193 PolarHBondContact O-N 3.32Å; S1193-E1197 WeakPolarHBondContact O-CG 3.34Å; S1193-E1197 PolarHBondContact O-N 3.41Å |
| 1194 | I | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72 | -36.6 | 176.5 | -69.4 | 172.6 | 0 | 0 | 0 | 111 | K1190 F1191 C1192 S1198 F1357 N1359 K1361 M1363 | K1190-I1194 HydrophobicContact CD-CD1 4.38Å; K1190-I1194 HydrophobicContact CG-CD1 3.77Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.27Å; K1190-I1194 PolarHBondContact O-N 2.88Å; K1190-I1194 VanDerWaalsContact O-N 3.1Å; F1191-I1194 PolarHBondContact O-N 3.1Å; C1192-I1194 VanDerWaalsContact C-N 3.29Å; C1192-I1194 PolarHBondContact O-N 3.01Å; I1194-S1198 VanDerWaalsContact O-CB 3.28Å; I1194-S1198 WeakPolarHBondContact O-CB 3.39Å; I1194-S1198 PolarHBondContact O-N 3.01Å; I1194-S1198 PolarHBondContact O-OG 2.73Å; I1194-F1357 HydrophobicContact CG2-CB 3.47Å; I1194-F1357 VanDerWaalsContact CG2-CB 3.47Å; I1194-F1357 HydrophobicContact CG2-CD1 3.62Å; I1194-F1357 HydrophobicContact CG2-CD2 3.57Å; I1194-F1357 HydrophobicContact CG2-CE1 4.22Å; I1194-F1357 HydrophobicContact CG2-CE2 4.2Å; I1194-F1357 HydrophobicContact CG2-CG 3.26Å; I1194-F1357 HydrophobicContact CG2-CZ 4.49Å; I1194-N1359 PolarHBondContact O-ND2 3.1Å; I1194-K1361 HydrophobicContact CD1-CB 4Å; I1194-K1361 HydrophobicContact CG1-CB 3.92Å; I1194-K1361 HydrophobicContact CG1-CD 3.84Å; I1194-K1361 HydrophobicContact CG2-CB 4.43Å; I1194-M1363 HydrophobicContact CD1-CG 3.79Å; I1194-M1363 HydrophobicContact CD1-SD 3.98Å |
| 1195 | L | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -45.4 | 178.5 | -174.4 | 62.7 | 0 | 0 | 0 | 111.7 | F1191 C1192 S1198 M1199 F1228 L1229 L1232 L1523 W1536 | F1191-L1195 HydrophobicContact CE1-CD2 3.88Å; F1191-L1195 HydrophobicContact CZ-CD2 4.38Å; F1191-L1195 WeakPolarHBondContact O-CB 3.37Å; F1191-L1195 PolarHBondContact O-N 3.16Å; C1192-L1195 PolarHBondContact O-N 2.96Å; L1195-S1198 CarbonylContact O-C 3.59Å; L1195-S1198 WeakPolarHBondContact O-CB 3.19Å; L1195-S1198 PolarHBondContact O-N 3.22Å; L1195-M1199 PolarHBondContact O-N 3.28Å; L1195-F1228 HydrophobicContact CD1-CE1 3.8Å; L1195-F1228 HydrophobicContact CD1-CZ 3.89Å; L1195-F1228 HydrophobicContact CG-CE1 4.32Å; L1195-L1229 HydrophobicContact CD1-CD2 4.02Å; L1195-L1232 HydrophobicContact CD1-CD2 3.22Å; L1195-L1523 HydrophobicContact CD2-CD1 4.5Å; L1195-L1523 HydrophobicContact CD2-CD2 3.69Å; L1195-W1536 HydrophobicContact CB-CH2 4.4Å; L1195-W1536 HydrophobicContact CD2-CH2 3.87Å; L1195-W1536 HydrophobicContact CG-CH2 3.92Å |
| 1196 | E | 90.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 178.9 | -167.1 | 177.9 | 146.7 | 0 | 0 | 112.2 | C1192 S1198 M1199 N1200 W1536 | C1192-E1196 PolarHBondContact O-N 3.1Å; E1196-S1198 VanDerWaalsContact C-N 3.3Å; E1196-S1198 PolarHBondContact O-N 3.02Å; E1196-M1199 WeakPolarHBondContact O-CB 3.39Å; E1196-M1199 PolarHBondContact O-N 2.8Å; E1196-N1200 PolarHBondContact O-ND2 3.16Å; E1196-W1536 HydrophobicContact CB-CH2 4.39Å; E1196-W1536 HydrophobicContact CB-CZ2 3.71Å; E1196-W1536 HydrophobicContact CG-CZ2 4.08Å; E1196-W1536 PolarHBondContact OE2-NE1 2.94Å |
| 1197 | E | 91.1 | Very high | 92.5 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 171.8 | -73.5 | 173.4 | -174.4 | 0 | 0 | 111.6 | S1193 M1199 N1200 E1201 N1359 K1361 | S1193-E1197 WeakPolarHBondContact O-CG 3.34Å; S1193-E1197 PolarHBondContact O-N 3.41Å; E1197-M1199 VanDerWaalsContact C-N 3.28Å; E1197-M1199 PolarHBondContact O-N 3.3Å; E1197-N1200 PolarHBondContact O-N 3.46Å; E1197-N1200 VanDerWaalsContact O-N 3.16Å; E1197-E1201 PolarHBondContact O-N 2.99Å; E1197-N1359 HydrophobicContact CB-CB 3.9Å; E1197-N1359 WeakPolarHBondContact CB-ND2 3.4Å; E1197-N1359 PolarHBondContact OE2-ND2 3.3Å; E1197-K1361 IonicContact OE1-NZ 3.85Å; E1197-K1361 PolarHBondContact OE1-NZ 3.08Å; E1197-K1361 WeakPolarHBondContact OE2-CD 3.46Å; E1197-K1361 WeakPolarHBondContact OE2-CE 3.42Å; E1197-K1361 IonicContact OE2-NZ 3.86Å; E1197-K1361 PolarHBondContact OE2-NZ 3.21Å |
| 1198 | S | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -24.4 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | I1194 L1195 E1196 N1200 L1202 E1358 | I1194-S1198 VanDerWaalsContact O-CB 3.28Å; I1194-S1198 WeakPolarHBondContact O-CB 3.39Å; I1194-S1198 PolarHBondContact O-N 3.01Å; I1194-S1198 PolarHBondContact O-OG 2.73Å; L1195-S1198 CarbonylContact O-C 3.59Å; L1195-S1198 WeakPolarHBondContact O-CB 3.19Å; L1195-S1198 PolarHBondContact O-N 3.22Å; E1196-S1198 VanDerWaalsContact C-N 3.3Å; E1196-S1198 PolarHBondContact O-N 3.02Å; S1198-N1200 VanDerWaalsContact C-N 3.35Å; S1198-L1202 PolarHBondContact O-N 3.09Å; S1198-E1358 PolarHBondContact OG-N 3.05Å |
| 1199 | M | 90.4 | Very high | 92.9 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 170 | -73.2 | -175.1 | 72.3 | 0 | 0 | 112 | L1195 E1196 E1197 L1202 K1203 F1228 W1536 I1540 | L1195-M1199 PolarHBondContact O-N 3.28Å; E1196-M1199 WeakPolarHBondContact O-CB 3.39Å; E1196-M1199 PolarHBondContact O-N 2.8Å; E1197-M1199 VanDerWaalsContact C-N 3.28Å; E1197-M1199 PolarHBondContact O-N 3.3Å; M1199-L1202 PolarHBondContact O-N 3.45Å; M1199-K1203 WeakPolarHBondContact O-CB 3.22Å; M1199-K1203 PolarHBondContact O-N 3.34Å; M1199-F1228 VanDerWaalsContact CA-CE2 3.44Å; M1199-F1228 HydrophobicContact CB-CE2 4.09Å; M1199-F1228 HydrophobicContact CB-CZ 4.09Å; M1199-F1228 HydrophobicContact CG-CD1 3.79Å; M1199-F1228 HydrophobicContact CG-CD2 4.06Å; M1199-F1228 HydrophobicContact CG-CE1 3.29Å; M1199-F1228 HydrophobicContact CG-CE2 3.61Å; M1199-F1228 HydrophobicContact CG-CG 4.16Å; M1199-F1228 HydrophobicContact CG-CZ 3.21Å; M1199-F1228 HydrophobicContact SD-CD1 4.4Å; M1199-F1228 HydrophobicContact SD-CE1 4.16Å; M1199-W1536 HydrophobicContact CE-CE3 4.46Å; M1199-W1536 HydrophobicContact SD-CD2 4.33Å; M1199-W1536 HydrophobicContact SD-CE3 3.47Å; M1199-W1536 HydrophobicContact SD-CH2 4.09Å; M1199-W1536 HydrophobicContact SD-CZ3 3.32Å; M1199-W1536 WeakPolarHBondContact SD-CZ3 3.33Å; M1199-I1540 HydrophobicContact CE-CD1 3.71Å; M1199-I1540 HydrophobicContact SD-CD1 4.01Å |
| 1200 | N | 89.8 | Confident | 93.2 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -178 | -68.6 | -68 | 0 | 0 | 0 | 111.3 | E1196 E1197 S1198 H1204 | E1196-N1200 PolarHBondContact O-ND2 3.16Å; E1197-N1200 PolarHBondContact O-N 3.46Å; E1197-N1200 VanDerWaalsContact O-N 3.16Å; S1198-N1200 VanDerWaalsContact C-N 3.35Å; N1200-H1204 PolarHBondContact O-N 3.3Å; N1200-H1204 VanDerWaalsContact O-N 3.08Å |
| 1201 | E | 92.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.4 | -50.7 | 171.6 | -70.5 | -62.7 | 143.8 | 0 | 0 | 112.1 | V1138 E1197 K1203 H1204 Y1205 E1358 | V1138-E1201 HydrophobicContact CG1-CB 3.96Å; V1138-E1201 WeakPolarHBondContact CG1-O 3.47Å; E1197-E1201 PolarHBondContact O-N 2.99Å; E1201-K1203 VanDerWaalsContact C-N 3.28Å; E1201-K1203 PolarHBondContact O-N 3.04Å; E1201-H1204 WeakPolarHBondContact O-CA 3.35Å; E1201-H1204 WeakPolarHBondContact O-CB 3.21Å; E1201-H1204 PolarHBondContact O-N 3.49Å; E1201-Y1205 PolarHBondContact O-N 3.02Å; E1201-E1358 HydrophobicContact CB-CB 3.75Å; E1201-E1358 HydrophobicContact CG-CB 4.36Å |
| 1202 | L | 93.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -26.7 | 179.6 | -67.1 | -166.8 | 0 | 0 | 0 | 113.8 | S1198 M1199 Y1205 A1206 F1228 L1231 L1232 E1358 | S1198-L1202 PolarHBondContact O-N 3.09Å; M1199-L1202 PolarHBondContact O-N 3.45Å; L1202-Y1205 PolarHBondContact O-N 3.32Å; L1202-A1206 PolarHBondContact O-N 3.21Å; L1202-F1228 HydrophobicContact CB-CD2 3.94Å; L1202-F1228 HydrophobicContact CB-CE2 4.02Å; L1202-F1228 HydrophobicContact CD1-CD2 3.78Å; L1202-F1228 HydrophobicContact CD1-CE2 3.64Å; L1202-F1228 HydrophobicContact CG-CD2 4.33Å; L1202-F1228 HydrophobicContact CG-CE2 4.07Å; L1202-L1231 HydrophobicContact CB-CD2 4.39Å; L1202-L1231 HydrophobicContact CD1-CB 4.27Å; L1202-L1231 HydrophobicContact CD1-CD2 4.1Å; L1202-L1231 HydrophobicContact CD1-CG 4Å; L1202-L1231 HydrophobicContact CD2-CD2 4.3Å; L1202-L1232 HydrophobicContact CD1-CB 3.85Å; L1202-L1232 HydrophobicContact CD1-CD1 4.36Å; L1202-E1358 HydrophobicContact CD1-CG 4.34Å; L1202-E1358 HydrophobicContact CD2-CG 3.72Å; L1202-E1358 HydrophobicContact CG-CG 3.89Å |
| 1203 | K | 93.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 41.6 Ų | 41.6 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 167.9 | -175.1 | 171.7 | -177.8 | 172.8 | 0 | 110.7 | M1199 E1201 Y1205 A1206 E1207 L1224 | M1199-K1203 WeakPolarHBondContact O-CB 3.22Å; M1199-K1203 PolarHBondContact O-N 3.34Å; E1201-K1203 VanDerWaalsContact C-N 3.28Å; E1201-K1203 PolarHBondContact O-N 3.04Å; K1203-Y1205 VanDerWaalsContact C-N 3.35Å; K1203-Y1205 PolarHBondContact O-N 3.38Å; K1203-A1206 WeakPolarHBondContact O-CB 3.41Å; K1203-A1206 PolarHBondContact O-N 3.48Å; K1203-A1206 VanDerWaalsContact O-N 3.15Å; K1203-E1207 WeakPolarHBondContact O-CG 3.22Å; K1203-E1207 PolarHBondContact O-N 3.18Å; K1203-L1224 HydrophobicContact CG-CD1 4.08Å |
| 1204 | H | 93.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 174 | -168.2 | 48.7 | 0 | 0 | 0 | 112.8 | V1138 N1200 E1201 A1206 E1207 L1208 | V1138-H1204 HydrophobicContact CG2-CB 4.47Å; N1200-H1204 PolarHBondContact O-N 3.3Å; N1200-H1204 VanDerWaalsContact O-N 3.08Å; E1201-H1204 WeakPolarHBondContact O-CA 3.35Å; E1201-H1204 WeakPolarHBondContact O-CB 3.21Å; E1201-H1204 PolarHBondContact O-N 3.49Å; H1204-A1206 VanDerWaalsContact C-N 3.32Å; H1204-A1206 PolarHBondContact O-N 3.44Å; H1204-E1207 IonicContact CE1-OE2 2.65Å; H1204-E1207 IonicContact CG-OE2 3.82Å; H1204-E1207 IonicContact ND1-OE2 2.73Å; H1204-E1207 PolarHBondContact ND1-OE2 3.01Å; H1204-E1207 WeakPolarHBondContact O-CB 3.4Å; H1204-E1207 PolarHBondContact O-N 2.78Å; H1204-L1208 WeakPolarHBondContact O-CG 3.48Å; H1204-L1208 PolarHBondContact O-N 3.24Å |
| 1205 | Y | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 171 | 167.6 | -98.6 | 0 | 0 | 0 | 111.3 | A1134 Y1135 E1201 L1202 K1203 E1207 L1208 V1209 L1231 A1402 L1406 | A1134-Y1205 HydrophobicContact CB-CD2 4.47Å; A1134-Y1205 HydrophobicContact CB-CE2 4.27Å; Y1135-Y1205 HydrophobicContact CD2-CE2 4.13Å; E1201-Y1205 PolarHBondContact O-N 3.02Å; L1202-Y1205 PolarHBondContact O-N 3.32Å; K1203-Y1205 VanDerWaalsContact C-N 3.35Å; K1203-Y1205 PolarHBondContact O-N 3.38Å; Y1205-E1207 VanDerWaalsContact C-N 3.32Å; Y1205-E1207 PolarHBondContact O-N 3.36Å; Y1205-L1208 PolarHBondContact O-N 3.36Å; Y1205-L1208 VanDerWaalsContact O-N 3.1Å; Y1205-V1209 HydrophobicContact CD1-CG2 4.18Å; Y1205-V1209 HydrophobicContact CE1-CG2 3.65Å; Y1205-V1209 HydrophobicContact CE2-CG2 4.16Å; Y1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; Y1205-V1209 PolarHBondContact O-N 2.8Å; Y1205-V1209 VanDerWaalsContact O-N 3.16Å; Y1205-L1231 HydrophobicContact CD1-CD2 3.72Å; Y1205-L1231 HydrophobicContact CE1-CD1 4.2Å; Y1205-L1231 HydrophobicContact CE1-CD2 3.9Å; Y1205-A1402 WeakPolarHBondContact OH-CB 3.39Å; Y1205-L1406 HydrophobicContact CD1-CD2 4.46Å; Y1205-L1406 HydrophobicContact CE1-CD2 4.23Å |
| 1206 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1202 K1203 H1204 L1208 V1209 F1212 L1224 L1406 | L1202-A1206 PolarHBondContact O-N 3.21Å; K1203-A1206 WeakPolarHBondContact O-CB 3.41Å; K1203-A1206 PolarHBondContact O-N 3.48Å; K1203-A1206 VanDerWaalsContact O-N 3.15Å; H1204-A1206 VanDerWaalsContact C-N 3.32Å; H1204-A1206 PolarHBondContact O-N 3.44Å; A1206-L1208 VanDerWaalsContact C-N 3.26Å; A1206-L1208 PolarHBondContact O-N 2.97Å; A1206-V1209 PolarHBondContact O-N 3.29Å; A1206-V1209 VanDerWaalsContact O-N 3.16Å; A1206-F1212 HydrophobicContact CB-CD1 3.89Å; A1206-F1212 HydrophobicContact CB-CE1 3.63Å; A1206-F1212 HydrophobicContact CB-CZ 4.05Å; A1206-F1212 VanDerWaalsContact O-CB 3.32Å; A1206-F1212 WeakPolarHBondContact O-CB 3.24Å; A1206-F1212 WeakPolarHBondContact O-CD1 3.37Å; A1206-F1212 WeakPolarHBondContact O-CG 3.31Å; A1206-L1224 HydrophobicContact CB-CD2 3.86Å; A1206-L1406 HydrophobicContact CB-CD1 4.01Å; A1206-L1406 HydrophobicContact CB-CD2 3.59Å; A1206-L1406 HydrophobicContact CB-CG 4.44Å |
| 1207 | E | 95.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 173.4 | -65.4 | 175.3 | 156 | 0 | 0 | 112.9 | K1203 H1204 Y1205 M1213 | K1203-E1207 WeakPolarHBondContact O-CG 3.22Å; K1203-E1207 PolarHBondContact O-N 3.18Å; H1204-E1207 IonicContact CE1-OE2 2.65Å; H1204-E1207 IonicContact CG-OE2 3.82Å; H1204-E1207 IonicContact ND1-OE2 2.73Å; H1204-E1207 PolarHBondContact ND1-OE2 3.01Å; H1204-E1207 WeakPolarHBondContact O-CB 3.4Å; H1204-E1207 PolarHBondContact O-N 2.78Å; Y1205-E1207 VanDerWaalsContact C-N 3.32Å; Y1205-E1207 PolarHBondContact O-N 3.36Å; E1207-M1213 HydrophobicContact CB-CE 4.39Å; E1207-M1213 HydrophobicContact CB-CG 4.25Å; E1207-M1213 HydrophobicContact CB-SD 4.16Å; E1207-M1213 HydrophobicContact CG-CE 3.96Å; E1207-M1213 HydrophobicContact CG-SD 3.84Å; E1207-M1213 WeakPolarHBondContact O-CG 3.26Å |
| 1208 | L | 95.2 | Very high | 93.4 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.8 | -15.7 | 177.8 | -61.7 | 170.9 | 0 | 0 | 0 | 113.5 | A1134 M1137 V1138 H1204 Y1205 A1206 P1210 | A1134-L1208 HydrophobicContact CB-CB 3.68Å; M1137-L1208 HydrophobicContact CB-CD1 3.69Å; M1137-L1208 HydrophobicContact CE-CD1 3.84Å; M1137-L1208 HydrophobicContact CE-CD2 3.98Å; M1137-L1208 HydrophobicContact SD-CD1 4.24Å; V1138-L1208 HydrophobicContact CG2-CD1 3.98Å; H1204-L1208 WeakPolarHBondContact O-CG 3.48Å; H1204-L1208 PolarHBondContact O-N 3.24Å; Y1205-L1208 PolarHBondContact O-N 3.36Å; Y1205-L1208 VanDerWaalsContact O-N 3.1Å; A1206-L1208 VanDerWaalsContact C-N 3.26Å; A1206-L1208 PolarHBondContact O-N 2.97Å; L1208-P1210 WeakPolarHBondContact O-CD 3.47Å |
| 1209 | V | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -68.6 | 120.2 | -179.5 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | L1131 Y1205 A1206 G1211 F1212 A1403 L1406 F1431 | L1131-V1209 HydrophobicContact CD2-CG1 4.23Å; L1131-V1209 HydrophobicContact CD2-CG2 4.18Å; Y1205-V1209 HydrophobicContact CD1-CG2 4.18Å; Y1205-V1209 HydrophobicContact CE1-CG2 3.65Å; Y1205-V1209 HydrophobicContact CE2-CG2 4.16Å; Y1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; Y1205-V1209 PolarHBondContact O-N 2.8Å; Y1205-V1209 VanDerWaalsContact O-N 3.16Å; A1206-V1209 PolarHBondContact O-N 3.29Å; A1206-V1209 VanDerWaalsContact O-N 3.16Å; V1209-G1211 PolarHBondContact O-N 3.05Å; V1209-F1212 HydrophobicContact CB-CB 4.1Å; V1209-F1212 HydrophobicContact CG1-CB 4.16Å; V1209-F1212 WeakPolarHBondContact O-CB 3.38Å; V1209-F1212 PolarHBondContact O-N 3.19Å; V1209-A1403 HydrophobicContact CG1-CB 4.46Å; V1209-L1406 HydrophobicContact CB-CD2 4.2Å; V1209-L1406 HydrophobicContact CG1-CD2 4.4Å; V1209-L1406 HydrophobicContact CG2-CD2 3.89Å; V1209-F1431 HydrophobicContact CG1-CE2 3.91Å; V1209-F1431 HydrophobicContact CG1-CZ 3.54Å |
| 1210 | P | 94.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 105 | -166.9 | -25.6 | 35.4 | 0 | 0 | 0 | 114.6 | L1127 M1130 L1208 | L1127-P1210 HydrophobicContact CD1-CB 3.82Å; L1127-P1210 HydrophobicContact CD1-CG 4.1Å; M1130-P1210 HydrophobicContact CB-CG 3.55Å; M1130-P1210 HydrophobicContact CE-CB 3.96Å; M1130-P1210 HydrophobicContact CE-CG 3.84Å; M1130-P1210 HydrophobicContact CG-CG 4.39Å; M1130-P1210 HydrophobicContact SD-CB 4.29Å; M1130-P1210 HydrophobicContact SD-CG 4.09Å; L1208-P1210 WeakPolarHBondContact O-CD 3.47Å |
| 1211 | G | 93 | Very high | 93.5 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | -7.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1209 N1214 | V1209-G1211 PolarHBondContact O-N 3.05Å; G1211-N1214 WeakPolarHBondContact O-CB 3.32Å; G1211-N1214 PolarHBondContact O-N 3.28Å |
| 1212 | F | 95.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -62.6 | -45.3 | 175.3 | -175.1 | -98.5 | 0 | 0 | 0 | 111.5 | A1206 V1209 N1214 L1215 R1220 M1223 L1224 L1406 V1407 L1427 | A1206-F1212 HydrophobicContact CB-CD1 3.89Å; A1206-F1212 HydrophobicContact CB-CE1 3.63Å; A1206-F1212 HydrophobicContact CB-CZ 4.05Å; A1206-F1212 VanDerWaalsContact O-CB 3.32Å; A1206-F1212 WeakPolarHBondContact O-CB 3.24Å; A1206-F1212 WeakPolarHBondContact O-CD1 3.37Å; A1206-F1212 WeakPolarHBondContact O-CG 3.31Å; V1209-F1212 HydrophobicContact CB-CB 4.1Å; V1209-F1212 HydrophobicContact CG1-CB 4.16Å; V1209-F1212 WeakPolarHBondContact O-CB 3.38Å; V1209-F1212 PolarHBondContact O-N 3.19Å; F1212-N1214 PolarHBondContact O-N 3.42Å; F1212-N1214 VanDerWaalsContact O-N 3.07Å; F1212-L1215 HydrophobicContact CD2-CD1 4.19Å; F1212-L1215 HydrophobicContact CE2-CD1 4.48Å; F1212-L1215 WeakPolarHBondContact O-CB 3.38Å; F1212-L1215 WeakPolarHBondContact O-CG 3.15Å; F1212-L1215 PolarHBondContact O-N 2.67Å; F1212-R1220 HydrophobicContact CD1-CG 4.07Å; F1212-R1220 HydrophobicContact CE1-CB 3.67Å; F1212-R1220 HydrophobicContact CE1-CG 3.69Å; F1212-R1220 HydrophobicContact CE2-CG 4.49Å; F1212-R1220 HydrophobicContact CZ-CB 3.7Å; F1212-R1220 HydrophobicContact CZ-CG 3.92Å; F1212-R1220 VanDerWaalsContact O-CD 3.22Å; F1212-R1220 WeakPolarHBondContact O-CD 3.4Å; F1212-M1223 HydrophobicContact CE2-CB 3.84Å; F1212-M1223 HydrophobicContact CE2-CG 4.32Å; F1212-M1223 HydrophobicContact CZ-CB 4.19Å; F1212-L1224 HydrophobicContact CZ-CG 4.23Å; F1212-L1406 HydrophobicContact CD2-CD2 4.11Å; F1212-L1406 HydrophobicContact CD2-CG 4.34Å; F1212-L1406 HydrophobicContact CE2-CD1 4.16Å; F1212-L1406 HydrophobicContact CE2-CD2 4.21Å; F1212-L1406 HydrophobicContact CE2-CG 4.06Å; F1212-L1406 HydrophobicContact CZ-CD1 4.37Å; F1212-V1407 HydrophobicContact CD2-CG2 3.85Å; F1212-V1407 HydrophobicContact CE2-CG2 4.36Å; F1212-L1427 HydrophobicContact CB-CD2 4.49Å |
| 1213 | M | 95 | Very high | 93.1 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -65 | -9.9 | 176.6 | -68.6 | -61.7 | -91.9 | 0 | 0 | 115 | E1207 R1220 | E1207-M1213 HydrophobicContact CB-CE 4.39Å; E1207-M1213 HydrophobicContact CB-CG 4.25Å; E1207-M1213 HydrophobicContact CB-SD 4.16Å; E1207-M1213 HydrophobicContact CG-CE 3.96Å; E1207-M1213 HydrophobicContact CG-SD 3.84Å; E1207-M1213 WeakPolarHBondContact O-CG 3.26Å; M1213-R1220 PolarHBondContact O-NH1 2.93Å; M1213-R1220 VanDerWaalsContact O-NH1 3.11Å |
| 1214 | N | 92.4 | Very high | 93 | Very high | 126 Ų | 126 | 43.5 Ų | 43.5 | 67% | 0.674 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -83.5 | -14.1 | 173.5 | -61.6 | 8.6 | 0 | 0 | 0 | 112.6 | G1211 F1212 | G1211-N1214 WeakPolarHBondContact O-CB 3.32Å; G1211-N1214 PolarHBondContact O-N 3.28Å; F1212-N1214 PolarHBondContact O-N 3.42Å; F1212-N1214 VanDerWaalsContact O-N 3.07Å |
| 1215 | L | 92.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -73 | 156.7 | 172.7 | -57.3 | 174.9 | 0 | 0 | 0 | 110.3 | F1212 R1220 E1423 V1424 L1427 | F1212-L1215 HydrophobicContact CD2-CD1 4.19Å; F1212-L1215 HydrophobicContact CE2-CD1 4.48Å; F1212-L1215 WeakPolarHBondContact O-CB 3.38Å; F1212-L1215 WeakPolarHBondContact O-CG 3.15Å; F1212-L1215 PolarHBondContact O-N 2.67Å; L1215-R1220 HydrophobicContact CB-CG 3.78Å; L1215-R1220 PolarHBondContact O-NH1 2.94Å; L1215-E1423 HydrophobicContact CD2-CB 3.78Å; L1215-V1424 HydrophobicContact CD1-CG2 4.14Å; L1215-V1424 HydrophobicContact CD2-CG2 3.96Å; L1215-L1427 HydrophobicContact CD1-CD2 4.01Å; L1215-L1427 HydrophobicContact CG-CD2 4.32Å |
| 1216 | S | 92.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | trans | -59.9 | 152.2 | 174.7 | 78.6 | 0 | 0 | 0 | 0 | 111 | N1218 D1219 R1220 T1419 | S1216-N1218 VanDerWaalsContact C-N 3.3Å; S1216-N1218 PolarHBondContact O-N 2.75Å; S1216-D1219 PolarHBondContact O-N 2.78Å; S1216-D1219 VanDerWaalsContact O-N 3.13Å; S1216-D1219 WeakPolarHBondContact OG-CB 3.32Å; S1216-D1219 VanDerWaalsContact OG-CG 3.25Å; S1216-D1219 PolarHBondContact OG-N 3.21Å; S1216-D1219 PolarHBondContact OG-OD1 3.3Å; S1216-R1220 WeakPolarHBondContact O-CG 3.43Å; S1216-R1220 PolarHBondContact O-N 2.83Å; S1216-T1419 PolarHBondContact OG-OG1 3.29Å | ||
| 1217 | M | 92.3 | Very high | 92.3 | Very high | 133 Ų | 133 | 41.4 Ų | 41.4 | 66% | 0.655 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.5 | -44.4 | -178.1 | -179.1 | 163.3 | 165.8 | 0 | 0 | 112 | D1219 R1220 E1221 | M1217-D1219 PolarHBondContact O-N 3.31Å; M1217-R1220 PolarHBondContact O-N 2.86Å; M1217-E1221 WeakPolarHBondContact O-CB 3.36Å; M1217-E1221 PolarHBondContact O-N 2.94Å |
| 1218 | N | 90.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 173.7 | 179.6 | 98.1 | 0 | 0 | 0 | 112.6 | S1216 R1220 E1221 I1222 T1419 | S1216-N1218 VanDerWaalsContact C-N 3.3Å; S1216-N1218 PolarHBondContact O-N 2.75Å; N1218-R1220 VanDerWaalsContact C-N 3.34Å; N1218-R1220 PolarHBondContact O-N 2.83Å; N1218-E1221 PolarHBondContact O-N 2.86Å; N1218-I1222 VanDerWaalsContact ND2-CD1 3.34Å; N1218-I1222 WeakPolarHBondContact ND2-CD1 3.44Å; N1218-I1222 WeakPolarHBondContact O-CG1 3.44Å; N1218-I1222 PolarHBondContact O-N 2.98Å; N1218-T1419 HydrophobicContact CB-CG2 4.34Å |
| 1219 | D | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.9 | -31.8 | -177.9 | -70.1 | 18.9 | 0 | 0 | 0 | 111.6 | S1216 M1217 M1223 L1418 T1419 N1420 V1424 | S1216-D1219 PolarHBondContact O-N 2.78Å; S1216-D1219 VanDerWaalsContact O-N 3.13Å; S1216-D1219 WeakPolarHBondContact OG-CB 3.32Å; S1216-D1219 VanDerWaalsContact OG-CG 3.25Å; S1216-D1219 PolarHBondContact OG-N 3.21Å; S1216-D1219 PolarHBondContact OG-OD1 3.3Å; M1217-D1219 PolarHBondContact O-N 3.31Å; D1219-M1223 WeakPolarHBondContact O-CB 3.39Å; D1219-M1223 WeakPolarHBondContact O-CG 3.28Å; D1219-M1223 PolarHBondContact O-N 3Å; D1219-L1418 HydrophobicContact CB-CD2 4.25Å; D1219-T1419 WeakPolarHBondContact OD1-CB 3.23Å; D1219-T1419 PolarHBondContact OD1-N 2.85Å; D1219-T1419 PolarHBondContact OD1-OG1 3.39Å; D1219-T1419 PolarHBondContact OD2-N 3.03Å; D1219-T1419 PolarHBondContact OD2-OG1 2.88Å; D1219-N1420 PolarHBondContact OD2-N 3.15Å; D1219-V1424 HydrophobicContact CB-CG2 4.24Å |
| 1220 | R | 93 | Very high | 91.9 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 171.5 | -65.7 | -172.6 | -45.6 | -127.5 | 13.6 | 112.1 | F1212 M1213 L1215 S1216 M1217 N1218 M1223 L1224 | F1212-R1220 HydrophobicContact CD1-CG 4.07Å; F1212-R1220 HydrophobicContact CE1-CB 3.67Å; F1212-R1220 HydrophobicContact CE1-CG 3.69Å; F1212-R1220 HydrophobicContact CE2-CG 4.49Å; F1212-R1220 HydrophobicContact CZ-CB 3.7Å; F1212-R1220 HydrophobicContact CZ-CG 3.92Å; F1212-R1220 VanDerWaalsContact O-CD 3.22Å; F1212-R1220 WeakPolarHBondContact O-CD 3.4Å; M1213-R1220 PolarHBondContact O-NH1 2.93Å; M1213-R1220 VanDerWaalsContact O-NH1 3.11Å; L1215-R1220 HydrophobicContact CB-CG 3.78Å; L1215-R1220 PolarHBondContact O-NH1 2.94Å; S1216-R1220 WeakPolarHBondContact O-CG 3.43Å; S1216-R1220 PolarHBondContact O-N 2.83Å; M1217-R1220 PolarHBondContact O-N 2.86Å; N1218-R1220 VanDerWaalsContact C-N 3.34Å; N1218-R1220 PolarHBondContact O-N 2.83Å; R1220-M1223 PolarHBondContact O-N 3.43Å; R1220-L1224 WeakPolarHBondContact O-CG 3.48Å; R1220-L1224 PolarHBondContact O-N 3.5Å |
| 1221 | E | 89.8 | Confident | 92 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 47% | 0.467 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.9 | -44.4 | 178.5 | -170.6 | 154.4 | -134.3 | 0 | 0 | 111.5 | M1217 N1218 M1223 L1224 N1225 | M1217-E1221 WeakPolarHBondContact O-CB 3.36Å; M1217-E1221 PolarHBondContact O-N 2.94Å; N1218-E1221 PolarHBondContact O-N 2.86Å; E1221-M1223 VanDerWaalsContact C-N 3.35Å; E1221-M1223 PolarHBondContact O-N 3.42Å; E1221-L1224 PolarHBondContact O-N 3.44Å; E1221-N1225 WeakPolarHBondContact O-CB 3.38Å; E1221-N1225 PolarHBondContact O-N 2.92Å; E1221-N1225 PolarHBondContact O-OD1 3.38Å |
| 1222 | I | 88.7 | Confident | 92.1 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 171.4 | -67.7 | 172.8 | 0 | 0 | 0 | 111.5 | N1218 N1225 L1226 L1418 | N1218-I1222 VanDerWaalsContact ND2-CD1 3.34Å; N1218-I1222 WeakPolarHBondContact ND2-CD1 3.44Å; N1218-I1222 WeakPolarHBondContact O-CG1 3.44Å; N1218-I1222 PolarHBondContact O-N 2.98Å; I1222-N1225 PolarHBondContact O-N 3.39Å; I1222-L1226 HydrophobicContact CG2-CD1 3.8Å; I1222-L1226 HydrophobicContact CG2-CG 4.45Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 WeakPolarHBondContact O-CG 3.21Å; I1222-L1226 PolarHBondContact O-N 2.92Å; I1222-L1418 HydrophobicContact CG2-CD2 4.1Å |
| 1223 | M | 90.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 175.4 | -72.8 | -62.6 | 91.4 | 0 | 0 | 113.2 | F1212 D1219 R1220 E1221 L1226 H1227 I1412 L1418 V1424 | F1212-M1223 HydrophobicContact CE2-CB 3.84Å; F1212-M1223 HydrophobicContact CE2-CG 4.32Å; F1212-M1223 HydrophobicContact CZ-CB 4.19Å; D1219-M1223 WeakPolarHBondContact O-CB 3.39Å; D1219-M1223 WeakPolarHBondContact O-CG 3.28Å; D1219-M1223 PolarHBondContact O-N 3Å; R1220-M1223 PolarHBondContact O-N 3.43Å; E1221-M1223 VanDerWaalsContact C-N 3.35Å; E1221-M1223 PolarHBondContact O-N 3.42Å; M1223-L1226 HydrophobicContact CE-CD1 3.73Å; M1223-H1227 PolarHBondContact O-N 3.02Å; M1223-H1227 VanDerWaalsContact O-N 3.16Å; M1223-I1412 HydrophobicContact CE-CD1 3.24Å; M1223-I1412 HydrophobicContact CE-CG1 3.81Å; M1223-I1412 HydrophobicContact SD-CD1 4.09Å; M1223-L1418 HydrophobicContact CE-CD2 4.21Å; M1223-V1424 HydrophobicContact CE-CG1 4.47Å; M1223-V1424 HydrophobicContact SD-CG1 3.86Å |
| 1224 | L | 91.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 175.1 | -75.1 | 165.8 | 0 | 0 | 0 | 111 | K1203 A1206 F1212 R1220 E1221 L1226 H1227 F1228 L1406 | K1203-L1224 HydrophobicContact CG-CD1 4.08Å; A1206-L1224 HydrophobicContact CB-CD2 3.86Å; F1212-L1224 HydrophobicContact CZ-CG 4.23Å; R1220-L1224 WeakPolarHBondContact O-CG 3.48Å; R1220-L1224 PolarHBondContact O-N 3.5Å; E1221-L1224 PolarHBondContact O-N 3.44Å; L1224-L1226 VanDerWaalsContact C-N 3.34Å; L1224-L1226 PolarHBondContact O-N 3.44Å; L1224-H1227 PolarHBondContact O-N 3.28Å; L1224-F1228 WeakPolarHBondContact O-CA 3.48Å; L1224-F1228 WeakPolarHBondContact O-CB 3.44Å; L1224-F1228 PolarHBondContact O-N 2.98Å; L1224-L1406 HydrophobicContact CD2-CD1 4.04Å |
| 1225 | N | 88.8 | Confident | 92.3 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 16% | 0.16 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -29.7 | -177.3 | -66.2 | -0.5 | 0 | 0 | 0 | 112.9 | E1221 I1222 I1543 | E1221-N1225 WeakPolarHBondContact O-CB 3.38Å; E1221-N1225 PolarHBondContact O-N 2.92Å; E1221-N1225 PolarHBondContact O-OD1 3.38Å; I1222-N1225 PolarHBondContact O-N 3.39Å; N1225-I1543 HydrophobicContact CB-CD1 3.77Å; N1225-I1543 HydrophobicContact CB-CG2 4.48Å |
| 1226 | L | 87.9 | Confident | 92.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.5 | -39 | 172.4 | -81.8 | 166.9 | 0 | 0 | 0 | 113.5 | I1222 M1223 L1224 I1412 I1543 | I1222-L1226 HydrophobicContact CG2-CD1 3.8Å; I1222-L1226 HydrophobicContact CG2-CG 4.45Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 WeakPolarHBondContact O-CG 3.21Å; I1222-L1226 PolarHBondContact O-N 2.92Å; M1223-L1226 HydrophobicContact CE-CD1 3.73Å; L1224-L1226 VanDerWaalsContact C-N 3.34Å; L1224-L1226 PolarHBondContact O-N 3.44Å; L1226-I1412 HydrophobicContact CD1-CG1 4.17Å; L1226-I1543 HydrophobicContact CB-CG2 4.38Å; L1226-I1543 HydrophobicContact CD2-CG2 3.45Å; L1226-I1543 VanDerWaalsContact CD2-CG2 3.45Å; L1226-I1543 HydrophobicContact CG-CG2 3.51Å |
| 1227 | H | 91.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -126.6 | 5.2 | -162.6 | -64.1 | -47.8 | 0 | 0 | 0 | 115.9 | M1223 L1224 D1230 L1231 I1405 S1411 | M1223-H1227 PolarHBondContact O-N 3.02Å; M1223-H1227 VanDerWaalsContact O-N 3.16Å; L1224-H1227 PolarHBondContact O-N 3.28Å; H1227-D1230 IonicContact CE1-OD2 2.83Å; H1227-D1230 IonicContact CG-OD2 2.97Å; H1227-D1230 IonicContact ND1-OD2 3.61Å; H1227-D1230 PolarHBondContact ND1-OD2 3.33Å; H1227-D1230 PolarHBondContact O-N 2.74Å; H1227-L1231 VanDerWaalsContact O-CB 3.25Å; H1227-L1231 WeakPolarHBondContact O-CB 3.41Å; H1227-L1231 PolarHBondContact O-N 3.47Å; H1227-I1405 WeakPolarHBondContact CB-O 3.36Å; H1227-I1405 PolarHBondContact CD2-O 3.29Å; H1227-I1405 VanDerWaalsContact CG-O 3.25Å; H1227-S1411 PolarHBondContact CE1-OG 3.35Å; H1227-S1411 PolarHBondContact NE2-OG 2.84Å |
| 1228 | F | 92 | Very high | 92.6 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 2% | 0.022 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 173.1 | 164 | -110.5 | 0 | 0 | 0 | 111.9 | L1195 M1199 L1202 L1224 D1230 L1231 L1232 | L1195-F1228 HydrophobicContact CD1-CE1 3.8Å; L1195-F1228 HydrophobicContact CD1-CZ 3.89Å; L1195-F1228 HydrophobicContact CG-CE1 4.32Å; M1199-F1228 VanDerWaalsContact CA-CE2 3.44Å; M1199-F1228 HydrophobicContact CB-CE2 4.09Å; M1199-F1228 HydrophobicContact CB-CZ 4.09Å; M1199-F1228 HydrophobicContact CG-CD1 3.79Å; M1199-F1228 HydrophobicContact CG-CD2 4.06Å; M1199-F1228 HydrophobicContact CG-CE1 3.29Å; M1199-F1228 HydrophobicContact CG-CE2 3.61Å; M1199-F1228 HydrophobicContact CG-CG 4.16Å; M1199-F1228 HydrophobicContact CG-CZ 3.21Å; M1199-F1228 HydrophobicContact SD-CD1 4.4Å; M1199-F1228 HydrophobicContact SD-CE1 4.16Å; L1202-F1228 HydrophobicContact CB-CD2 3.94Å; L1202-F1228 HydrophobicContact CB-CE2 4.02Å; L1202-F1228 HydrophobicContact CD1-CD2 3.78Å; L1202-F1228 HydrophobicContact CD1-CE2 3.64Å; L1202-F1228 HydrophobicContact CG-CD2 4.33Å; L1202-F1228 HydrophobicContact CG-CE2 4.07Å; L1224-F1228 WeakPolarHBondContact O-CA 3.48Å; L1224-F1228 WeakPolarHBondContact O-CB 3.44Å; L1224-F1228 PolarHBondContact O-N 2.98Å; F1228-D1230 PolarHBondContact O-N 3.35Å; F1228-L1231 PolarHBondContact O-N 3.13Å; F1228-L1232 HydrophobicContact CE1-CD2 4.42Å; F1228-L1232 HydrophobicContact CE2-CB 4.46Å; F1228-L1232 HydrophobicContact CZ-CD2 3.97Å; F1228-L1232 WeakPolarHBondContact O-CB 3.4Å; F1228-L1232 PolarHBondContact O-N 3.09Å |
| 1229 | L | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.6 | -33 | -177.1 | -65 | -179.7 | 0 | 0 | 0 | 112.5 | L1195 S1233 T1515 L1519 L1523 I1540 M1544 | L1195-L1229 HydrophobicContact CD1-CD2 4.02Å; L1229-S1233 VanDerWaalsContact O-CB 3.24Å; L1229-S1233 WeakPolarHBondContact O-CB 3.29Å; L1229-S1233 PolarHBondContact O-N 3.29Å; L1229-S1233 PolarHBondContact O-OG 2.9Å; L1229-T1515 HydrophobicContact CB-CG2 3.52Å; L1229-L1519 HydrophobicContact CB-CD2 4.13Å; L1229-L1519 HydrophobicContact CD1-CD2 4.17Å; L1229-L1519 HydrophobicContact CD2-CD2 3.94Å; L1229-L1519 HydrophobicContact CG-CD2 4.31Å; L1229-L1523 HydrophobicContact CD1-CD1 3.45Å; L1229-L1523 VanDerWaalsContact CD1-CD1 3.45Å; L1229-L1523 HydrophobicContact CD2-CD1 4.23Å; L1229-I1540 HydrophobicContact CD1-CG2 3.8Å; L1229-I1540 HydrophobicContact CG-CG2 4.22Å; L1229-M1544 HydrophobicContact CB-SD 4.16Å; L1229-M1544 HydrophobicContact CD1-SD 3.8Å; L1229-M1544 HydrophobicContact CG-SD 4.34Å |
| 1230 | D | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 172.6 | -60.7 | -21.5 | 0 | 0 | 0 | 110.8 | H1227 F1228 S1233 F1234 I1405 I1511 H1512 T1515 | H1227-D1230 IonicContact CE1-OD2 2.83Å; H1227-D1230 IonicContact CG-OD2 2.97Å; H1227-D1230 IonicContact ND1-OD2 3.61Å; H1227-D1230 PolarHBondContact ND1-OD2 3.33Å; H1227-D1230 PolarHBondContact O-N 2.74Å; F1228-D1230 PolarHBondContact O-N 3.35Å; D1230-S1233 PolarHBondContact O-N 2.84Å; D1230-F1234 WeakPolarHBondContact O-CB 3.29Å; D1230-F1234 PolarHBondContact O-N 2.85Å; D1230-I1405 HydrophobicContact CB-CG2 3.51Å; D1230-I1511 HydrophobicContact CB-CG2 4.1Å; D1230-I1511 VanDerWaalsContact O-CG2 3.28Å; D1230-I1511 WeakPolarHBondContact O-CG2 3.19Å; D1230-H1512 WeakPolarHBondContact OD1-CA 3.3Å; D1230-H1512 IonicContact OD1-ND1 3.19Å; D1230-H1512 PolarHBondContact OD1-ND1 2.7Å; D1230-H1512 IonicContact OD2-CE1 2.68Å; D1230-H1512 IonicContact OD2-CG 3.63Å; D1230-H1512 IonicContact OD2-ND1 3.34Å; D1230-H1512 PolarHBondContact OD2-ND1 2.79Å; D1230-T1515 WeakPolarHBondContact OD1-CB 3.45Å |
| 1231 | L | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | -179.4 | -179 | 64.4 | 0 | 0 | 0 | 111.7 | L1202 Y1205 H1227 F1228 R1235 A1402 I1405 L1406 | L1202-L1231 HydrophobicContact CB-CD2 4.39Å; L1202-L1231 HydrophobicContact CD1-CB 4.27Å; L1202-L1231 HydrophobicContact CD1-CD2 4.1Å; L1202-L1231 HydrophobicContact CD1-CG 4Å; L1202-L1231 HydrophobicContact CD2-CD2 4.3Å; Y1205-L1231 HydrophobicContact CD1-CD2 3.72Å; Y1205-L1231 HydrophobicContact CE1-CD1 4.2Å; Y1205-L1231 HydrophobicContact CE1-CD2 3.9Å; H1227-L1231 VanDerWaalsContact O-CB 3.25Å; H1227-L1231 WeakPolarHBondContact O-CB 3.41Å; H1227-L1231 PolarHBondContact O-N 3.47Å; F1228-L1231 PolarHBondContact O-N 3.13Å; L1231-R1235 HydrophobicContact CD1-CG 4.31Å; L1231-R1235 WeakPolarHBondContact O-CB 3.41Å; L1231-R1235 VanDerWaalsContact O-CG 3.28Å; L1231-R1235 WeakPolarHBondContact O-CG 3.45Å; L1231-R1235 PolarHBondContact O-N 3.16Å; L1231-A1402 HydrophobicContact CD1-CB 3.99Å; L1231-I1405 HydrophobicContact CB-CG2 4.2Å; L1231-L1406 HydrophobicContact CD2-CB 4.47Å |
| 1232 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 173 | 179.1 | 65.6 | 0 | 0 | 0 | 111 | L1195 L1202 F1228 F1234 R1235 L1236 F1357 E1358 | L1195-L1232 HydrophobicContact CD1-CD2 3.22Å; L1202-L1232 HydrophobicContact CD1-CB 3.85Å; L1202-L1232 HydrophobicContact CD1-CD1 4.36Å; F1228-L1232 HydrophobicContact CE1-CD2 4.42Å; F1228-L1232 HydrophobicContact CE2-CB 4.46Å; F1228-L1232 HydrophobicContact CZ-CD2 3.97Å; F1228-L1232 WeakPolarHBondContact O-CB 3.4Å; F1228-L1232 PolarHBondContact O-N 3.09Å; L1232-F1234 VanDerWaalsContact C-N 3.3Å; L1232-F1234 PolarHBondContact O-N 2.89Å; L1232-R1235 PolarHBondContact O-N 3.36Å; L1232-L1236 HydrophobicContact CD1-CD1 4.01Å; L1232-L1236 HydrophobicContact CD1-CG 4.27Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 WeakPolarHBondContact O-CB 3.47Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 3.09Å; L1232-F1357 HydrophobicContact CD1-CD1 4.3Å; L1232-E1358 HydrophobicContact CD1-CG 3.89Å |
| 1233 | S | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | L1229 D1230 A1237 W1376 I1380 T1515 | L1229-S1233 VanDerWaalsContact O-CB 3.24Å; L1229-S1233 WeakPolarHBondContact O-CB 3.29Å; L1229-S1233 PolarHBondContact O-N 3.29Å; L1229-S1233 PolarHBondContact O-OG 2.9Å; D1230-S1233 PolarHBondContact O-N 2.84Å; S1233-A1237 WeakPolarHBondContact O-CB 3.27Å; S1233-A1237 PolarHBondContact O-N 3.4Å; S1233-W1376 PolarHBondContact OG-NE1 3.1Å; S1233-I1380 WeakPolarHBondContact O-CD1 3.44Å; S1233-T1515 PolarHBondContact OG-OG1 2.98Å |
| 1234 | F | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 174.8 | 178.1 | -117.8 | 0 | 0 | 0 | 113.3 | D1230 L1232 A1237 W1238 L1387 I1398 L1401 A1402 I1405 I1511 | D1230-F1234 WeakPolarHBondContact O-CB 3.29Å; D1230-F1234 PolarHBondContact O-N 2.85Å; L1232-F1234 VanDerWaalsContact C-N 3.3Å; L1232-F1234 PolarHBondContact O-N 2.89Å; F1234-A1237 PolarHBondContact O-N 2.84Å; F1234-W1238 PolarHBondContact O-N 3.37Å; F1234-L1387 HydrophobicContact CD2-CD1 3.88Å; F1234-L1387 HydrophobicContact CE2-CD1 3.74Å; F1234-L1387 HydrophobicContact CE2-CD2 4.01Å; F1234-I1398 HydrophobicContact CE1-CG2 4.01Å; F1234-I1398 HydrophobicContact CE2-CD1 4.17Å; F1234-I1398 HydrophobicContact CZ-CB 4.42Å; F1234-I1398 HydrophobicContact CZ-CD1 3.72Å; F1234-I1398 HydrophobicContact CZ-CG2 3.92Å; F1234-L1401 HydrophobicContact CD2-CD2 4.41Å; F1234-L1401 HydrophobicContact CE1-CB 4.5Å; F1234-L1401 HydrophobicContact CE1-CG 4.47Å; F1234-L1401 HydrophobicContact CE2-CD2 3.56Å; F1234-L1401 HydrophobicContact CE2-CG 4.17Å; F1234-L1401 HydrophobicContact CZ-CB 4.09Å; F1234-L1401 HydrophobicContact CZ-CD2 3.69Å; F1234-L1401 HydrophobicContact CZ-CG 3.95Å; F1234-A1402 HydrophobicContact CD1-CB 4.22Å; F1234-A1402 HydrophobicContact CE1-CB 3.92Å; F1234-I1405 HydrophobicContact CB-CD1 3.79Å; F1234-I1405 HydrophobicContact CD1-CD1 3.79Å; F1234-I1405 HydrophobicContact CD2-CD1 4.14Å; F1234-I1405 HydrophobicContact CE1-CD1 4.42Å; F1234-I1405 HydrophobicContact CG-CD1 3.62Å; F1234-I1511 HydrophobicContact CB-CD1 4.07Å; F1234-I1511 HydrophobicContact CB-CG2 4.29Å; F1234-I1511 HydrophobicContact CD2-CD1 3.4Å; F1234-I1511 VanDerWaalsContact CD2-CD1 3.4Å; F1234-I1511 HydrophobicContact CE2-CD1 4.15Å; F1234-I1511 HydrophobicContact CG-CD1 4Å |
| 1235 | R | 95.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.9 | -35.2 | -177.1 | -72.6 | 174.2 | 56.9 | 109.5 | 2.7 | 112.1 | Y1135 V1138 L1231 L1232 R1239 E1358 | Y1135-R1235 HydrophobicContact CE2-CG 3.94Å; V1138-R1235 PolarHBondContact O-NH2 3.38Å; L1231-R1235 HydrophobicContact CD1-CG 4.31Å; L1231-R1235 WeakPolarHBondContact O-CB 3.41Å; L1231-R1235 VanDerWaalsContact O-CG 3.28Å; L1231-R1235 WeakPolarHBondContact O-CG 3.45Å; L1231-R1235 PolarHBondContact O-N 3.16Å; L1232-R1235 PolarHBondContact O-N 3.36Å; R1235-R1239 PolarHBondContact O-N 3.16Å; R1235-E1358 WeakPolarHBondContact CB-OE1 3.31Å; R1235-E1358 IonicContact CZ-OE1 2.68Å; R1235-E1358 IonicContact CZ-OE2 2.69Å; R1235-E1358 IonicContact NE-OE1 2.64Å; R1235-E1358 PolarHBondContact NE-OE1 2.8Å; R1235-E1358 IonicContact NE-OE2 3.67Å; R1235-E1358 PolarHBondContact NE-OE2 3.25Å; R1235-E1358 IonicContact NH2-OE1 3.22Å; R1235-E1358 IonicContact NH2-OE2 3.17Å; R1235-E1358 PolarHBondContact NH2-OE2 2.85Å |
| 1236 | L | 94.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | 169.3 | -77.6 | 167.8 | 0 | 0 | 0 | 111.7 | L1232 W1238 R1239 V1240 V1356 F1357 W1376 I1380 | L1232-L1236 HydrophobicContact CD1-CD1 4.01Å; L1232-L1236 HydrophobicContact CD1-CG 4.27Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 WeakPolarHBondContact O-CB 3.47Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 3.09Å; L1236-W1238 VanDerWaalsContact C-N 3.25Å; L1236-W1238 PolarHBondContact O-N 3.02Å; L1236-R1239 PolarHBondContact O-N 2.98Å; L1236-R1239 VanDerWaalsContact O-N 3.1Å; L1236-V1240 WeakPolarHBondContact O-CG2 3.14Å; L1236-V1240 PolarHBondContact O-N 2.85Å; L1236-V1356 WeakPolarHBondContact CD2-O 3.33Å; L1236-F1357 HydrophobicContact CD1-CD1 4.13Å; L1236-F1357 HydrophobicContact CD1-CE1 3.82Å; L1236-F1357 HydrophobicContact CD1-CZ 4.32Å; L1236-F1357 HydrophobicContact CD2-CD1 4.27Å; L1236-F1357 HydrophobicContact CD2-CD2 4.43Å; L1236-F1357 HydrophobicContact CD2-CE1 4.45Å; L1236-F1357 HydrophobicContact CD2-CG 4.25Å; L1236-W1376 HydrophobicContact CD1-CH2 3.4Å; L1236-W1376 VanDerWaalsContact CD1-CH2 3.4Å; L1236-W1376 HydrophobicContact CD1-CZ2 3.8Å; L1236-W1376 HydrophobicContact CD1-CZ3 4.43Å; L1236-I1380 HydrophobicContact CB-CD1 4.43Å; L1236-I1380 HydrophobicContact CB-CG2 4.21Å |
| 1237 | A | 95.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.9 | -37.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S1233 F1234 A1241 I1380 L1383 S1384 L1387 | S1233-A1237 WeakPolarHBondContact O-CB 3.27Å; S1233-A1237 PolarHBondContact O-N 3.4Å; F1234-A1237 PolarHBondContact O-N 2.84Å; A1237-A1241 WeakPolarHBondContact O-CB 3Å; A1237-A1241 PolarHBondContact O-N 3.2Å; A1237-I1380 HydrophobicContact CB-CG2 4.09Å; A1237-L1383 HydrophobicContact CB-CB 4.17Å; A1237-L1383 HydrophobicContact CB-CD2 3.62Å; A1237-L1383 HydrophobicContact CB-CG 3.8Å; A1237-S1384 WeakPolarHBondContact O-CA 3.36Å; A1237-S1384 WeakPolarHBondContact O-CB 3.3Å; A1237-L1387 HydrophobicContact CB-CD1 4.09Å |
| 1238 | W | 94.2 | Very high | 80.5 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.3 | -38 | 174.4 | -168.6 | -107.7 | 0 | 0 | 0 | 113.5 | F1234 L1236 A1241 M1242 L1387 I1391 Y1395 I1398 | F1234-W1238 PolarHBondContact O-N 3.37Å; L1236-W1238 VanDerWaalsContact C-N 3.25Å; L1236-W1238 PolarHBondContact O-N 3.02Å; W1238-A1241 HydrophobicContact CE3-CB 4.07Å; W1238-A1241 HydrophobicContact CZ3-CB 4.35Å; W1238-A1241 WeakPolarHBondContact O-CB 2.89Å; W1238-A1241 PolarHBondContact O-N 3.12Å; W1238-M1242 HydrophobicContact CH2-CE 3.68Å; W1238-M1242 HydrophobicContact CH2-SD 4.41Å; W1238-M1242 HydrophobicContact CZ2-CE 3.49Å; W1238-M1242 VanDerWaalsContact CZ2-CE 3.49Å; W1238-M1242 HydrophobicContact CZ2-CG 4.39Å; W1238-M1242 HydrophobicContact CZ2-SD 3.61Å; W1238-M1242 HydrophobicContact CZ3-CE 4.34Å; W1238-M1242 VanDerWaalsContact O-CG 3.29Å; W1238-M1242 WeakPolarHBondContact O-CG 3.14Å; W1238-M1242 PolarHBondContact O-N 3.4Å; W1238-L1387 HydrophobicContact CE3-CB 4.01Å; W1238-L1387 HydrophobicContact CZ3-CB 4.1Å; W1238-I1391 HydrophobicContact CH2-CB 4.43Å; W1238-I1391 HydrophobicContact CH2-CG2 4.18Å; W1238-I1391 HydrophobicContact CZ3-CB 4.44Å; W1238-Y1395 HydrophobicContact CZ2-CD1 4.04Å; W1238-Y1395 AromaticContact CZ2-CE1 3.82Å; W1238-Y1395 HydrophobicContact CZ2-CE1 3.82Å; W1238-I1398 HydrophobicContact CD2-CD1 3.44Å; W1238-I1398 VanDerWaalsContact CD2-CD1 3.44Å; W1238-I1398 HydrophobicContact CD2-CG1 3.8Å; W1238-I1398 HydrophobicContact CD2-CG2 4.43Å; W1238-I1398 HydrophobicContact CE3-CD1 3.34Å; W1238-I1398 HydrophobicContact CE3-CG1 4.08Å; W1238-I1398 HydrophobicContact CG-CD1 4.05Å; W1238-I1398 HydrophobicContact CG-CG1 4.39Å; W1238-I1398 HydrophobicContact CG-CG2 4.14Å; W1238-I1398 HydrophobicContact CH2-CD1 4.05Å; W1238-I1398 HydrophobicContact CH2-CG1 4.06Å; W1238-I1398 HydrophobicContact CZ2-CD1 4.15Å; W1238-I1398 HydrophobicContact CZ2-CG1 3.8Å; W1238-I1398 HydrophobicContact CZ3-CD1 3.66Å; W1238-I1398 HydrophobicContact CZ3-CG1 4.2Å |
| 1239 | R | 91.7 | Very high | 77.5 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.5 | -79.9 | -167.5 | -69.8 | -86.4 | -8.4 | 111.9 | R1235 L1236 A1241 M1242 E1243 V1356 E1358 | R1235-R1239 PolarHBondContact O-N 3.16Å; L1236-R1239 PolarHBondContact O-N 2.98Å; L1236-R1239 VanDerWaalsContact O-N 3.1Å; R1239-A1241 VanDerWaalsContact C-N 3.26Å; R1239-A1241 PolarHBondContact O-N 2.8Å; R1239-M1242 PolarHBondContact O-N 3.05Å; R1239-M1242 VanDerWaalsContact O-N 3.08Å; R1239-E1243 PolarHBondContact O-N 3.05Å; R1239-V1356 VanDerWaalsContact CZ-O 3.25Å; R1239-V1356 PolarHBondContact NE-O 2.73Å; R1239-V1356 PolarHBondContact NH2-O 3.46Å; R1239-E1358 IonicContact CZ-OE1 3.18Å; R1239-E1358 IonicContact CZ-OE2 2.73Å; R1239-E1358 IonicContact NH1-OE1 3.33Å; R1239-E1358 PolarHBondContact NH1-OE1 3.13Å; R1239-E1358 IonicContact NH1-OE2 3.56Å; R1239-E1358 PolarHBondContact NH1-OE2 3.27Å; R1239-E1358 IonicContact NH2-OE1 2.73Å; R1239-E1358 PolarHBondContact NH2-OE1 3Å; R1239-E1358 IonicContact NH2-OE2 3.8Å |
| 1240 | V | 91.1 | Very high | 74.4 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -37.3 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L1236 M1242 I1353 F1355 I1380 | L1236-V1240 WeakPolarHBondContact O-CG2 3.14Å; L1236-V1240 PolarHBondContact O-N 2.85Å; V1240-M1242 VanDerWaalsContact C-N 3.33Å; V1240-M1242 PolarHBondContact O-N 3.44Å; V1240-I1353 HydrophobicContact CG1-CG2 4.21Å; V1240-F1355 HydrophobicContact CG2-CD1 4.09Å; V1240-F1355 HydrophobicContact CG2-CE1 4.17Å; V1240-I1380 HydrophobicContact CG2-CG2 4.5Å |
| 1241 | A | 88.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1237 W1238 R1239 T1244 S1384 K1388 | A1237-A1241 WeakPolarHBondContact O-CB 3Å; A1237-A1241 PolarHBondContact O-N 3.2Å; W1238-A1241 HydrophobicContact CE3-CB 4.07Å; W1238-A1241 HydrophobicContact CZ3-CB 4.35Å; W1238-A1241 WeakPolarHBondContact O-CB 2.89Å; W1238-A1241 PolarHBondContact O-N 3.12Å; R1239-A1241 VanDerWaalsContact C-N 3.26Å; R1239-A1241 PolarHBondContact O-N 2.8Å; A1241-T1244 PolarHBondContact O-OG1 3.11Å; A1241-S1384 WeakPolarHBondContact CB-O 3.41Å; A1241-K1388 HydrophobicContact CB-CB 4.2Å |
| 1242 | M | 83.7 | Confident | 67.7 | Low | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78.2 | -38.5 | -177.2 | -58.7 | -73.1 | 86.4 | 0 | 0 | 113 | I1142 W1238 R1239 V1240 T1244 E1245 Y1395 | I1142-M1242 HydrophobicContact CD1-CG 4.27Å; W1238-M1242 HydrophobicContact CH2-CE 3.68Å; W1238-M1242 HydrophobicContact CH2-SD 4.41Å; W1238-M1242 HydrophobicContact CZ2-CE 3.49Å; W1238-M1242 VanDerWaalsContact CZ2-CE 3.49Å; W1238-M1242 HydrophobicContact CZ2-CG 4.39Å; W1238-M1242 HydrophobicContact CZ2-SD 3.61Å; W1238-M1242 HydrophobicContact CZ3-CE 4.34Å; W1238-M1242 VanDerWaalsContact O-CG 3.29Å; W1238-M1242 WeakPolarHBondContact O-CG 3.14Å; W1238-M1242 PolarHBondContact O-N 3.4Å; R1239-M1242 PolarHBondContact O-N 3.05Å; R1239-M1242 VanDerWaalsContact O-N 3.08Å; V1240-M1242 VanDerWaalsContact C-N 3.33Å; V1240-M1242 PolarHBondContact O-N 3.44Å; M1242-T1244 PolarHBondContact O-N 2.77Å; M1242-E1245 WeakPolarHBondContact O-CB 3.5Å; M1242-E1245 PolarHBondContact O-N 3.37Å; M1242-Y1395 HydrophobicContact SD-CE1 3.67Å |
| 1243 | E | 72.6 | Confident | 64.2 | Low | 58 Ų | 58 | 51.1 Ų | 51.1 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.8 | -32.2 | 179 | -75.2 | -176.1 | -149.7 | 0 | 0 | 113.2 | R1239 E1245 V1246 T1247 | R1239-E1243 PolarHBondContact O-N 3.05Å; E1243-E1245 PolarHBondContact O-N 3.11Å; E1243-V1246 PolarHBondContact O-N 2.77Å; E1243-T1247 PolarHBondContact O-N 3.34Å |
| 1244 | T | 59.7 | Low | 60.7 | Low | 42 Ų | 42 | 56.4 Ų | 56.4 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -32.2 | 176.4 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | A1241 M1242 T1247 T1248 K1388 | A1241-T1244 PolarHBondContact O-OG1 3.11Å; M1242-T1244 PolarHBondContact O-N 2.77Å; T1244-T1247 PolarHBondContact O-N 2.63Å; T1244-T1247 PolarHBondContact O-OG1 3.36Å; T1244-T1248 PolarHBondContact O-N 2.81Å; T1244-T1248 PolarHBondContact O-OG1 3.16Å; T1244-K1388 PolarHBondContact OG1-NZ 3.42Å |
| 1245 | E | 47.9 | Very low | 57.3 | Low | 61 Ų | 61 | 62 Ų | 62 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | -177.3 | -64.1 | -177.7 | 168.6 | 0 | 0 | 112.2 | M1242 E1243 T1247 T1248 H1249 K1388 | M1242-E1245 WeakPolarHBondContact O-CB 3.5Å; M1242-E1245 PolarHBondContact O-N 3.37Å; E1243-E1245 PolarHBondContact O-N 3.11Å; E1245-T1247 VanDerWaalsContact C-N 3.25Å; E1245-T1247 PolarHBondContact O-N 2.91Å; E1245-T1248 WeakPolarHBondContact CA-OG1 3.42Å; E1245-T1248 PolarHBondContact O-N 2.95Å; E1245-T1248 PolarHBondContact O-OG1 3.38Å; E1245-H1249 PolarHBondContact O-N 3.17Å; E1245-K1388 WeakPolarHBondContact OE1-CE 3.5Å; E1245-K1388 IonicContact OE1-NZ 3.84Å |
| 1246 | V | 45.8 | Very low | 53.8 | Low | 57 Ų | 57 | 68.5 Ų | 68.5 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 176 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | E1243 L1250 | E1243-V1246 PolarHBondContact O-N 2.77Å; V1246-L1250 HydrophobicContact CG1-CD1 4.37Å; V1246-L1250 PolarHBondContact O-N 2.9Å |
| 1247 | T | 34.1 | Very low | 50.4 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 23% | 0.233 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.3 | -35.5 | 177.7 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | E1243 T1244 E1245 H1249 L1250 N1251 K1351 | E1243-T1247 PolarHBondContact O-N 3.34Å; T1244-T1247 PolarHBondContact O-N 2.63Å; T1244-T1247 PolarHBondContact O-OG1 3.36Å; E1245-T1247 VanDerWaalsContact C-N 3.25Å; E1245-T1247 PolarHBondContact O-N 2.91Å; T1247-H1249 PolarHBondContact O-N 2.86Å; T1247-L1250 PolarHBondContact O-N 3.02Å; T1247-N1251 WeakPolarHBondContact O-CB 3.39Å; T1247-N1251 VanDerWaalsContact O-CG 3.3Å; T1247-N1251 PolarHBondContact O-N 2.82Å; T1247-N1251 PolarHBondContact O-ND2 2.98Å; T1247-K1351 HydrophobicContact CG2-CD 3.86Å |
| 1248 | T | 32.1 | Very low | 47.1 | Very low | 72 Ų | 72 | 84.6 Ų | 84.6 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 179.2 | 43.3 | 0 | 0 | 0 | 0 | 113.3 | T1244 E1245 | T1244-T1248 PolarHBondContact O-N 2.81Å; T1244-T1248 PolarHBondContact O-OG1 3.16Å; E1245-T1248 WeakPolarHBondContact CA-OG1 3.42Å; E1245-T1248 PolarHBondContact O-N 2.95Å; E1245-T1248 PolarHBondContact O-OG1 3.38Å |
| 1249 | H | 30.2 | Very low | 43.7 | Very low | 163 Ų | 163 | 93 Ų | 93 | 76% | 0.755 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.6 | -26.4 | 175.8 | -84.1 | -76.2 | 0 | 0 | 0 | 113.8 | E1245 T1247 | E1245-H1249 PolarHBondContact O-N 3.17Å; T1247-H1249 PolarHBondContact O-N 2.86Å |
| 1250 | L | 27.3 | Very low | 40.7 | Very low | 120 Ų | 120 | 99.6 Ų | 99.6 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -83.2 | -33.5 | 176.4 | -73.5 | 166.7 | 0 | 0 | 0 | 113 | V1246 T1247 Y1252 A1253 | V1246-L1250 HydrophobicContact CG1-CD1 4.37Å; V1246-L1250 PolarHBondContact O-N 2.9Å; T1247-L1250 PolarHBondContact O-N 3.02Å; L1250-Y1252 PolarHBondContact O-N 3.31Å; L1250-A1253 PolarHBondContact O-N 3.03Å |
| 1251 | N | 25.4 | Very low | 37.6 | Very low | 129 Ų | 129 | 107.9 Ų | 107.9 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 0.7 | -176.9 | -71.6 | -21.7 | 0 | 0 | 0 | 114.9 | T1247 | T1247-N1251 WeakPolarHBondContact O-CB 3.39Å; T1247-N1251 VanDerWaalsContact O-CG 3.3Å; T1247-N1251 PolarHBondContact O-N 2.82Å; T1247-N1251 PolarHBondContact O-ND2 2.98Å |
| 1252 | Y | 25.3 | Very low | 34.5 | Very low | 205 Ų | 205 | 112.3 Ų | 112.3 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 29.4 | 172.4 | -86 | -77.1 | 0 | 0 | 0 | 113.1 | L1250 P1254 | L1250-Y1252 PolarHBondContact O-N 3.31Å; Y1252-P1254 VanDerWaalsContact C-CD 3.41Å; Y1252-P1254 WeakPolarHBondContact O-CD 3.29Å |
| 1253 | A | 19.7 | Very low | 31.7 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | trans | -101.2 | 83 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1250 T1255 | L1250-A1253 PolarHBondContact O-N 3.03Å; A1253-T1255 PolarHBondContact O-N 2.64Å | ||
| 1254 | P | 24 | Very low | 29.6 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | trans | -72.1 | 96.5 | 170.4 | 31.2 | -34 | 0 | 0 | 0 | 110.3 | Y1252 | Y1252-P1254 VanDerWaalsContact C-CD 3.41Å; Y1252-P1254 WeakPolarHBondContact O-CD 3.29Å | ||
| 1255 | T | 23.7 | Very low | 27.9 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 49.8 | 117.2 | 156.1 | 54.8 | 0 | 0 | 0 | 0 | 119.1 | A1253 | A1253-T1255 PolarHBondContact O-N 2.64Š|
| 1256 | L | 23.1 | Very low | 26.9 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | trans | 56.1 | 91 | 142.7 | -69 | 160.4 | 0 | 0 | 0 | 117.4 | I1258 | L1256-I1258 HydrophobicContact CD2-CD1 4.22Å; L1256-I1258 HydrophobicContact CD2-CG1 4.36Å | ||
| 1257 | F | 23.5 | Very low | 26 | Very low | 212 Ų | 212 | 137.1 Ų | 137.1 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | -119.8 | 100.6 | 139.9 | -94.9 | -88 | 0 | 0 | 0 | 109.7 | ||||
| 1258 | I | 25.9 | Very low | 25.6 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | trans | -81.7 | 116.6 | 163 | -64.6 | 171.2 | 0 | 0 | 0 | 106 | L1256 N1260 | L1256-I1258 HydrophobicContact CD2-CD1 4.22Å; L1256-I1258 HydrophobicContact CD2-CG1 4.36Å; I1258-N1260 PolarHBondContact O-N 3.2Å | ||
| 1259 | E | 22.7 | Very low | 25.1 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 117.8 | 164 | -70.7 | -170 | 148.8 | 0 | 0 | 109 | ||||
| 1260 | N | 27.8 | Very low | 25.1 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -148.9 | 131.8 | 156.3 | -100.9 | -52.9 | 0 | 0 | 0 | 109 | I1258 | I1258-N1260 PolarHBondContact O-N 3.2Š| ||
| 1261 | H | 25.5 | Very low | 25.2 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 163.3 | -172.4 | -101.8 | -93.3 | 0 | 0 | 0 | 113.2 | ||||
| 1262 | S | 25.3 | Very low | 25.2 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | 65 | 109.9 | 159.5 | 56.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1263 | D | 25 | Very low | 25.2 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 52.2 | 77.7 | 115.6 | -46.1 | -31.3 | 0 | 0 | 0 | 117.9 | |||||
| 1264 | N | 26.7 | Very low | 25.7 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | 175.6 | 107 | 110.6 | -95.4 | -68.8 | 0 | 0 | 0 | 111.8 | |||||
| 1265 | C | 25.1 | Very low | 25.8 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | -164.5 | 130.1 | 125.3 | -134.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1266 | T | 25.7 | Very low | 26 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 161.3 | 174.8 | 42.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1267 | K | 27 | Very low | 26.2 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 71.9 | 81.9 | 173 | -52.9 | 178.1 | 179.8 | 178.6 | 0 | 117.3 | ||||
| 1268 | L | 25.8 | Very low | 26.2 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | -159.9 | 85.8 | 107.7 | -140.3 | 76.3 | 0 | 0 | 0 | 112.4 | |||||
| 1269 | N | 21.9 | Very low | 26.4 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -154.1 | 75.4 | 161.7 | -143 | -13.3 | 0 | 0 | 0 | 110.4 | ||||
| 1270 | Q | 30.4 | Very low | 26.7 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -147.6 | 125.8 | 175 | -112.3 | 179.8 | -16.3 | 0 | 0 | 110.6 | ||||
| 1271 | I | 29.2 | Very low | 26.6 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | trans | 69.6 | 102.1 | 156.5 | -52.4 | 163.7 | 0 | 0 | 0 | 116.2 | H1273 | I1271-H1273 VanDerWaalsContact CG2-O 3.29Å; I1271-H1273 WeakPolarHBondContact CG2-O 3.34Å | ||
| 1272 | I | 25.4 | Very low | 26.8 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -89.5 | 147.2 | 137 | -64.1 | 176.6 | 0 | 0 | 0 | 106.4 | ||
| 1273 | H | 25.4 | Very low | 26.8 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | 69.3 | 92.1 | -168.7 | -72.6 | -81.9 | 0 | 0 | 0 | 115.4 | I1271 | I1271-H1273 VanDerWaalsContact CG2-O 3.29Å; I1271-H1273 WeakPolarHBondContact CG2-O 3.34Å | ||
| 1274 | D | 30.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | -137.2 | 163 | 98.5 | -116.7 | -30.8 | 0 | 0 | 0 | 110.5 | |||||
| 1275 | N | 26.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -130.5 | 175 | -171.7 | -112.9 | -37.6 | 0 | 0 | 0 | 111.2 | ||||
| 1276 | T | 28.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | 79 | 148.8 | 170.9 | 81.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1277 | L | 26.7 | Very low | 26.8 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | -151.3 | 138.7 | -6.8 | -147.8 | 77.7 | 0 | 0 | 0 | 113.1 | ||||
| 1278 | I | 25 | Very low | 26.6 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 60% | 0.6 | 78% | 0.775 | S | S | * | * | trans | 20.8 | 123.8 | 142.1 | -58 | 167.8 | 0 | 0 | 0 | 120.8 | K1280 | I1278-K1280 HydrophobicContact CG2-CG 4.05Š| ||
| 1279 | D | 28.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | -156.4 | 129.4 | 113.4 | -101.3 | -24.1 | 0 | 0 | 0 | 109.3 | |||||
| 1280 | K | 28.5 | Very low | 26.7 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | 61.2 | 127.9 | 74 | -61.6 | -161.7 | -145.9 | 84.2 | 0 | 112.5 | I1278 | I1278-K1280 HydrophobicContact CG2-CG 4.05Š| |||
| 1281 | T | 26.3 | Very low | 26.5 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | cis | -135.1 | -176.4 | 8.4 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1282 | H | 29.5 | Very low | 26.6 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | cis | -163 | 129.7 | 25.9 | -151.4 | -80.3 | 0 | 0 | 0 | 111.6 | ||||
| 1283 | D | 25.7 | Very low | 26.6 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 156.8 | 128 | 136.5 | -88.5 | -2.7 | 0 | 0 | 0 | 112.9 | ||||
| 1284 | I | 25.9 | Very low | 26.7 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -151.4 | 150 | -178.4 | -45.2 | 178.3 | 0 | 0 | 0 | 109.8 | ||||
| 1285 | S | 23.3 | Very low | 26.7 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 101.5 | 107.5 | 147.1 | 78.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1286 | S | 27.2 | Very low | 26.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -174.6 | 138 | 128.8 | -81 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1287 | S | 25.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | cis | -147.4 | 162.1 | 3 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1288 | M | 23.3 | Very low | 26.9 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -91.4 | 155 | 174 | -61.2 | 161.5 | 64.2 | 0 | 0 | 111.5 | ||||
| 1289 | K | 26.2 | Very low | 27.1 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | -163.1 | 160.1 | 137.2 | -111.9 | 164.7 | -173.4 | 179.2 | 0 | 112 | ||||
| 1290 | M | 22.8 | Very low | 27.2 | Very low | 166 Ų | 166 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -155.4 | 164.7 | -168 | -142.6 | -163.3 | 164 | 0 | 0 | 111.6 | ||||
| 1291 | T | 26.4 | Very low | 27.4 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | 61.7 | 170.5 | 158 | 50.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 1292 | P | 32.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | cis | -126.4 | -172.5 | 1.3 | 25.7 | -0.7 | 0 | 0 | 0 | 116.7 | ||||
| 1293 | I | 24.6 | Very low | 27.6 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -107.9 | 155.3 | -169 | -68.7 | 161 | 0 | 0 | 0 | 112.8 | ||||
| 1294 | T | 28.1 | Very low | 27.7 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -143.5 | 149.3 | 156.2 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1295 | T | 29.4 | Very low | 27.7 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | cis | -171 | 150.9 | -10 | -91.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1296 | T | 30.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 62.6 | 143.1 | 173.3 | 48.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1297 | M | 27.8 | Very low | 27.7 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | cis | -154.6 | 148.3 | -6.9 | -110 | -141 | 180 | 0 | 0 | 113.1 | ||||
| 1298 | V | 27.8 | Very low | 27.7 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | trans | 71 | 102.5 | 140.8 | 174.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1299 | T | 29.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 48.1 | 139.8 | 136.4 | 68.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1300 | T | 30.2 | Very low | 27.7 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | cis | -165.4 | -166.8 | -5.8 | 25.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1301 | T | 32.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | cis | -162.2 | 159.1 | 17.4 | -19.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1302 | S | 29.9 | Very low | 27.6 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 18.4 | 151 | 140.6 | -62.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1303 | A | 30.4 | Very low | 27.3 | Very low | 80 Ų | 80 | 128 Ų | 128 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | cis | -175.8 | 160.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1304 | V | 28.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | 44.8 | 110.1 | 138.1 | 173.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1305 | T | 24.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | 73.8 | 131.5 | 54.1 | 74.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1306 | K | 28 | Very low | 27.2 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 134.3 | 118.8 | 162 | -77.1 | 169.1 | -178.3 | -175.6 | 0 | 111.3 | ||||
| 1307 | T | 23.8 | Very low | 27.1 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | 69 | 131.8 | 70.2 | 83.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1308 | D | 24.8 | Very low | 27 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | cis | -154.4 | 164.9 | 21.9 | -91 | -53.7 | 0 | 0 | 0 | 115.6 | ||||
| 1309 | T | 26.1 | Very low | 27.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | 49.4 | 120.3 | 146.6 | 58.1 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1310 | S | 22.9 | Very low | 27 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 88.6 | 139.4 | 120.5 | 71.8 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1311 | S | 25.2 | Very low | 26.8 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 71.1 | 105.7 | 150.2 | 55.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1312 | N | 23.3 | Very low | 26.6 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 12.7 | 132.8 | 136.3 | -51.8 | -5.8 | 0 | 0 | 0 | 121.1 | ||||
| 1313 | Y | 26.5 | Very low | 26.6 | Very low | 220 Ų | 220 | 134.3 Ų | 134.3 | 86% | 0.863 | 74% | 0.741 | S | S | * | * | -162.8 | -165.1 | 109.4 | -113.2 | -79 | 0 | 0 | 0 | 110.3 | |||||
| 1314 | E | 25.8 | Very low | 26.2 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -103.1 | 155.1 | -146.3 | -71.4 | -178.1 | 85.6 | 0 | 0 | 120 | ||||
| 1315 | N | 25.9 | Very low | 26 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 51% | 0.513 | 76% | 0.757 | S | S | . | * | trans | 23.3 | 129.8 | 143.1 | -66.7 | -73.1 | 0 | 0 | 0 | 121.3 | R1477 | N1315-R1477 PolarHBondContact OD1-NH1 2.9Š| ||
| 1316 | I | 26.7 | Very low | 26.5 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -163.8 | 130.5 | 131.4 | -108.6 | 154.5 | 0 | 0 | 0 | 113.5 | ||||
| 1317 | Y | 28.9 | Very low | 26.4 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 86% | 0.863 | 75% | 0.75 | S | S | * | * | trans | 58.8 | 153 | 160 | -79 | -112.4 | 0 | 0 | 0 | 123.4 | ||||
| 1318 | A | 26.3 | Very low | 26.6 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -153.2 | 152.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1319 | P | 30.8 | Very low | 26.6 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -141.3 | 174.9 | 132.1 | 36.2 | -21.1 | 0 | 0 | 0 | 114.5 | ||||
| 1320 | T | 26.1 | Very low | 26.8 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -100.4 | 164.7 | -170.2 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1321 | I | 27.1 | Very low | 27 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | 180 | 128.2 | 121 | -94.2 | 161 | 0 | 0 | 0 | 115.3 | |||||
| 1322 | N | 26.3 | Very low | 27 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | 30.3 | 128 | 149.5 | -48 | -13 | 0 | 0 | 0 | 124.6 | ||||
| 1323 | N | 29.9 | Very low | 27.1 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | 177.3 | 118.7 | 102.1 | -92.9 | -21.2 | 0 | 0 | 0 | 110.7 | |||||
| 1324 | W | 23.3 | Very low | 27 | Very low | 244 Ų | 244 | 141.7 Ų | 141.7 | 92% | 0.924 | 74% | 0.741 | S | S | * | * | 97.1 | 132.9 | 78.9 | -95.5 | 55 | 0 | 0 | 0 | 114.9 | |||||
| 1325 | N | 24 | Very low | 27.1 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -90.6 | -165.7 | -177.1 | -140.3 | 2.1 | 0 | 0 | 0 | 109.7 | ||||
| 1326 | P | 34.8 | Very low | 27.1 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | cis | -139.7 | -158.7 | -12 | 27 | 0.7 | 0 | 0 | 0 | 114.7 | ||||
| 1327 | Q | 25.1 | Very low | 26.9 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 89.6 | 141.4 | 154.3 | -58.7 | -154.3 | -48.2 | 0 | 0 | 118.8 | ||||
| 1328 | N | 27.8 | Very low | 26.7 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | cis | -147.4 | 149.2 | -9 | -90 | -22 | 0 | 0 | 0 | 107.9 | ||||
| 1329 | H | 26.2 | Very low | 26.7 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | 73.9 | 102.5 | 56.1 | -96.3 | -80.2 | 0 | 0 | 0 | 117.1 | |||||
| 1330 | S | 29.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 177.7 | 110.6 | 135.6 | 32.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1331 | E | 27.6 | Very low | 26.4 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | 84.4 | 115 | 62.8 | -76.8 | -177.6 | 165 | 0 | 0 | 114.6 | |||||
| 1332 | I | 24.4 | Very low | 26.3 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -175.8 | 125.7 | 128.9 | -89.3 | 150.4 | 0 | 0 | 0 | 106.9 | |||||
| 1333 | E | 27 | Very low | 26.1 | Very low | 115 Ų | 115 | 152 Ų | 152 | 54% | 0.537 | 76% | 0.758 | S | S | . | * | trans | -151.1 | 149.2 | 157.4 | -159.8 | 160.5 | -131.2 | 0 | 0 | 111.1 | Q8 | Q8-E1333 PolarHBondContact NE2-OE1 2.82Š| ||
| 1334 | C | 24 | Very low | 25.8 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -99.3 | 128.8 | -177.3 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | K1336 | C1334-K1336 PolarHBondContact O-N 3.21Š| ||
| 1335 | Y | 27.4 | Very low | 25.8 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 96% | 0.961 | 76% | 0.76 | S | S | * | * | trans | -80 | 102.9 | 166.2 | -91.2 | -86.6 | 0 | 0 | 0 | 111.3 | ||||
| 1336 | K | 25.6 | Very low | 25.9 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -149.4 | 109.5 | 161.1 | -151.4 | 176.6 | -175.8 | -177.8 | 0 | 113.2 | C1334 | C1334-K1336 PolarHBondContact O-N 3.21Š| ||
| 1337 | T | 23.1 | Very low | 25.4 | Very low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 64.6 | 133.7 | 156 | 47.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1338 | N | 24 | Very low | 25.5 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 73 | 88.9 | 148.6 | -59.7 | 0.1 | 0 | 0 | 0 | 120.6 | ||||
| 1339 | Y | 27.3 | Very low | 25.6 | Very low | 221 Ų | 221 | 150.1 Ų | 150.1 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -139.4 | 145.1 | 137.7 | -84.1 | -96.3 | 0 | 0 | 0 | 107.6 | ||||
| 1340 | L | 26 | Very low | 26.2 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | 174.5 | 117.8 | -26.2 | -121.9 | 162.2 | 0 | 0 | 0 | 102.8 | ||||
| 1341 | L | 24.3 | Very low | 27.4 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 67% | 0.665 | 77% | 0.769 | S | S | * | * | trans | -82.2 | 156.9 | 167.1 | -101.8 | 93.1 | 0 | 0 | 0 | 109.9 | ||||
| 1342 | N | 24.4 | Very low | 29.4 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 79.5 | 114.5 | 174.4 | -52 | -11.6 | 0 | 0 | 0 | 113.6 | ||||
| 1343 | N | 22.9 | Very low | 32.2 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | cis | -158.9 | 130.1 | 46.2 | -94.3 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 1344 | S | 24.2 | Very low | 35.1 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -160.3 | 75.7 | 158.1 | 50 | 0 | 0 | 0 | 0 | 113 | S1346 | S1344-S1346 PolarHBondContact O-N 3.34Š|
| 1345 | S | 23.2 | Very low | 38.5 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 96% | 0.958 | 69% | 0.685 | S | S | * | * | trans | 37.2 | 55.7 | 144.4 | -51.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1346 | S | 25 | Very low | 41.6 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | trans | -135.4 | 131 | 160.9 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | S1344 N1348 | S1344-S1346 PolarHBondContact O-N 3.34Å; S1346-N1348 PolarHBondContact O-N 3.03Å; S1346-N1348 PolarHBondContact OG-OD1 3.43Å | ||
| 1347 | K | 24.7 | Very low | 44.8 | Very low | 209 Ų | 209 | 117.8 Ų | 117.8 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | trans | -80.9 | 56.7 | 175 | -71 | -172.6 | 175.8 | -177 | 0 | 111.3 | ||||
| 1348 | N | 26.2 | Very low | 48.1 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | -81.6 | 123.1 | 169.3 | -74.2 | -1.8 | 0 | 0 | 0 | 108.9 | S1346 Q1350 | S1346-N1348 PolarHBondContact O-N 3.03Å; S1346-N1348 PolarHBondContact OG-OD1 3.43Å; N1348-Q1350 PolarHBondContact O-N 2.94Å | ||
| 1349 | H | 31.6 | Very low | 51.2 | Low | 192 Ų | 192 | 107.6 Ų | 107.6 | 89% | 0.889 | 55% | 0.55 | S | S | * | * | trans | -62.2 | 105.2 | 173.2 | -75.3 | -85.3 | 0 | 0 | 0 | 109.8 | K1351 | H1349-K1351 PolarHBondContact O-N 3.32Š| ||
| 1350 | Q | 37.4 | Very low | 54.1 | Low | 161 Ų | 161 | 99 Ų | 99 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | trans | -63.8 | 107 | 166.6 | -83.3 | -176.1 | -28.2 | 0 | 0 | 108.3 | N1348 Q1352 | N1348-Q1350 PolarHBondContact O-N 2.94Å; Q1350-Q1352 PolarHBondContact O-N 2.92Å; Q1350-Q1352 VanDerWaalsContact O-N 3.09Å | ||
| 1351 | K | 55.7 | Low | 57.3 | Low | 146 Ų | 146 | 96.4 Ų | 96.4 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | trans | -59.9 | 115.4 | 175 | -168.2 | -170.1 | -180 | -162.4 | 0 | 108.2 | T1247 H1349 | T1247-K1351 HydrophobicContact CG2-CD 3.86Å; H1349-K1351 PolarHBondContact O-N 3.32Å | ||
| 1352 | Q | 68.4 | Low | 60.6 | Low | 122 Ų | 122 | 92 Ų | 92 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | trans | -64.2 | 136.4 | -179.1 | -158.5 | 170.7 | 24.1 | 0 | 0 | 109.5 | Q1350 E1354 | Q1350-Q1352 PolarHBondContact O-N 2.92Å; Q1350-Q1352 VanDerWaalsContact O-N 3.09Å; Q1352-E1354 PolarHBondContact O-N 3.39Å | ||
| 1353 | I | 83 | Confident | 63.9 | Low | 47 Ų | 47 | 85.5 Ų | 85.5 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | trans | -71 | 128.5 | -178.2 | -62.5 | 175.2 | 0 | 0 | 0 | 109.2 | V1240 F1355 S1364 Y1365 Q1381 | V1240-I1353 HydrophobicContact CG1-CG2 4.21Å; I1353-F1355 HydrophobicContact CB-CE2 4.35Å; I1353-F1355 HydrophobicContact CG2-CD2 4.22Å; I1353-F1355 HydrophobicContact CG2-CE2 3.71Å; I1353-F1355 HydrophobicContact CG2-CZ 4.01Å; I1353-S1364 WeakPolarHBondContact O-CA 3.33Å; I1353-Y1365 PolarHBondContact O-N 2.87Å; I1353-Q1381 HydrophobicContact CD1-CG 4.05Å | ||
| 1354 | E | 89.4 | Confident | 67.3 | Low | 80 Ų | 80 | 79.5 Ų | 79.5 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.6 | -179.4 | -173.3 | 167.1 | -163.3 | 0 | 0 | 108.6 | Q1352 V1356 S1362 | Q1352-E1354 PolarHBondContact O-N 3.39Å; E1354-V1356 HydrophobicContact CG-CG2 4.35Å; E1354-S1362 WeakPolarHBondContact OE1-CB 3.41Å; E1354-S1362 PolarHBondContact OE1-OG 3.02Å |
| 1355 | F | 93.8 | Very high | 70.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 99.2 | -179.8 | -66.4 | -103.7 | 0 | 0 | 0 | 107.3 | V1240 I1353 F1357 S1362 M1363 Y1365 L1368 A1377 I1380 | V1240-F1355 HydrophobicContact CG2-CD1 4.09Å; V1240-F1355 HydrophobicContact CG2-CE1 4.17Å; I1353-F1355 HydrophobicContact CB-CE2 4.35Å; I1353-F1355 HydrophobicContact CG2-CD2 4.22Å; I1353-F1355 HydrophobicContact CG2-CE2 3.71Å; I1353-F1355 HydrophobicContact CG2-CZ 4.01Å; F1355-F1357 HydrophobicContact CB-CE2 4.02Å; F1355-F1357 WeakPolarHBondContact O-CD2 3.35Å; F1355-F1357 VanDerWaalsContact O-CE2 3.29Å; F1355-F1357 WeakPolarHBondContact O-CE2 3.48Å; F1355-S1362 WeakPolarHBondContact O-CA 3.33Å; F1355-M1363 WeakPolarHBondContact CB-O 3.43Å; F1355-M1363 PolarHBondContact N-O 3.39Å; F1355-M1363 PolarHBondContact O-N 3.3Å; F1355-M1363 VanDerWaalsContact O-N 3.13Å; F1355-Y1365 HydrophobicContact CE2-CD2 4.13Å; F1355-Y1365 HydrophobicContact CZ-CD2 4.27Å; F1355-L1368 HydrophobicContact CB-CD1 3.88Å; F1355-L1368 HydrophobicContact CD1-CD1 3.95Å; F1355-L1368 HydrophobicContact CD2-CD1 3.53Å; F1355-L1368 HydrophobicContact CE1-CD1 4.38Å; F1355-L1368 HydrophobicContact CE2-CD1 4.02Å; F1355-L1368 HydrophobicContact CG-CD1 3.5Å; F1355-L1368 VanDerWaalsContact CG-CD1 3.5Å; F1355-L1368 HydrophobicContact CZ-CD1 4.42Å; F1355-A1377 HydrophobicContact CE1-CB 4.18Å; F1355-A1377 HydrophobicContact CE2-CB 4.31Å; F1355-A1377 HydrophobicContact CZ-CB 3.85Å; F1355-I1380 HydrophobicContact CD1-CG2 4.1Å; F1355-I1380 HydrophobicContact CE1-CB 4.08Å; F1355-I1380 HydrophobicContact CE1-CG2 3.69Å |
| 1356 | V | 92.9 | Very high | 73.9 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 16% | 0.164 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.8 | 178.1 | -163.1 | 0 | 0 | 0 | 0 | 109.8 | P1140 L1236 R1239 E1354 | P1140-V1356 HydrophobicContact CB-CG1 4.42Å; P1140-V1356 HydrophobicContact CG-CG1 3.8Å; L1236-V1356 WeakPolarHBondContact CD2-O 3.33Å; R1239-V1356 VanDerWaalsContact CZ-O 3.25Å; R1239-V1356 PolarHBondContact NE-O 2.73Å; R1239-V1356 PolarHBondContact NH2-O 3.46Å; E1354-V1356 HydrophobicContact CG-CG2 4.35Å |
| 1357 | F | 94.4 | Very high | 77.2 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -88.1 | 179.2 | -177 | -71.6 | -103 | 0 | 0 | 0 | 111.9 | P1140 F1191 I1194 L1232 L1236 F1355 N1359 G1360 K1361 M1363 L1368 W1376 | P1140-F1357 WeakPolarHBondContact CD-O 3.42Å; P1140-F1357 WeakPolarHBondContact CG-O 3.43Å; F1191-F1357 HydrophobicContact CD2-CZ 4.18Å; F1191-F1357 AromaticContact CE2-CE1 3.96Å; F1191-F1357 HydrophobicContact CE2-CE1 3.96Å; F1191-F1357 AromaticContact CE2-CZ 3.84Å; F1191-F1357 HydrophobicContact CE2-CZ 3.84Å; I1194-F1357 HydrophobicContact CG2-CB 3.47Å; I1194-F1357 VanDerWaalsContact CG2-CB 3.47Å; I1194-F1357 HydrophobicContact CG2-CD1 3.62Å; I1194-F1357 HydrophobicContact CG2-CD2 3.57Å; I1194-F1357 HydrophobicContact CG2-CE1 4.22Å; I1194-F1357 HydrophobicContact CG2-CE2 4.2Å; I1194-F1357 HydrophobicContact CG2-CG 3.26Å; I1194-F1357 HydrophobicContact CG2-CZ 4.49Å; L1232-F1357 HydrophobicContact CD1-CD1 4.3Å; L1236-F1357 HydrophobicContact CD1-CD1 4.13Å; L1236-F1357 HydrophobicContact CD1-CE1 3.82Å; L1236-F1357 HydrophobicContact CD1-CZ 4.32Å; L1236-F1357 HydrophobicContact CD2-CD1 4.27Å; L1236-F1357 HydrophobicContact CD2-CD2 4.43Å; L1236-F1357 HydrophobicContact CD2-CE1 4.45Å; L1236-F1357 HydrophobicContact CD2-CG 4.25Å; F1355-F1357 HydrophobicContact CB-CE2 4.02Å; F1355-F1357 WeakPolarHBondContact O-CD2 3.35Å; F1355-F1357 VanDerWaalsContact O-CE2 3.29Å; F1355-F1357 WeakPolarHBondContact O-CE2 3.48Å; F1357-N1359 WeakPolarHBondContact CB-OD1 3.24Å; F1357-G1360 PolarHBondContact O-N 3.16Å; F1357-K1361 PolarHBondContact N-O 2.98Å; F1357-M1363 HydrophobicContact CE2-CB 4.28Å; F1357-M1363 HydrophobicContact CE2-CG 4.44Å; F1357-L1368 HydrophobicContact CZ-CD2 4.31Å; F1357-W1376 HydrophobicContact CE1-CH2 4.24Å; F1357-W1376 HydrophobicContact CZ-CH2 4.44Å; F1357-W1376 HydrophobicContact CZ-CZ3 4.45Å | ||
| 1358 | E | 90.6 | Very high | 80.5 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -30.9 | -170.3 | -55.7 | -61.9 | 164.3 | 0 | 0 | 113.2 | G1139 P1140 S1198 E1201 L1202 L1232 R1235 R1239 G1360 | G1139-E1358 VanDerWaalsContact CA-O 3.3Å; G1139-E1358 WeakPolarHBondContact CA-O 3.28Å; G1139-E1358 WeakPolarHBondContact CA-OE2 3.42Å; P1140-E1358 WeakPolarHBondContact CD-O 3.4Å; S1198-E1358 PolarHBondContact OG-N 3.05Å; E1201-E1358 HydrophobicContact CB-CB 3.75Å; E1201-E1358 HydrophobicContact CG-CB 4.36Å; L1202-E1358 HydrophobicContact CD1-CG 4.34Å; L1202-E1358 HydrophobicContact CD2-CG 3.72Å; L1202-E1358 HydrophobicContact CG-CG 3.89Å; L1232-E1358 HydrophobicContact CD1-CG 3.89Å; R1235-E1358 WeakPolarHBondContact CB-OE1 3.31Å; R1235-E1358 IonicContact CZ-OE1 2.68Å; R1235-E1358 IonicContact CZ-OE2 2.69Å; R1235-E1358 IonicContact NE-OE1 2.64Å; R1235-E1358 PolarHBondContact NE-OE1 2.8Å; R1235-E1358 IonicContact NE-OE2 3.67Å; R1235-E1358 PolarHBondContact NE-OE2 3.25Å; R1235-E1358 IonicContact NH2-OE1 3.22Å; R1235-E1358 IonicContact NH2-OE2 3.17Å; R1235-E1358 PolarHBondContact NH2-OE2 2.85Å; R1239-E1358 IonicContact CZ-OE1 3.18Å; R1239-E1358 IonicContact CZ-OE2 2.73Å; R1239-E1358 IonicContact NH1-OE1 3.33Å; R1239-E1358 PolarHBondContact NH1-OE1 3.13Å; R1239-E1358 IonicContact NH1-OE2 3.56Å; R1239-E1358 PolarHBondContact NH1-OE2 3.27Å; R1239-E1358 IonicContact NH2-OE1 2.73Å; R1239-E1358 PolarHBondContact NH2-OE1 3Å; R1239-E1358 IonicContact NH2-OE2 3.8Å; E1358-G1360 PolarHBondContact O-N 3.44Å |
| 1359 | N | 89.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.4 | 168.2 | 61.5 | -4 | 0 | 0 | 0 | 113.9 | I1194 E1197 F1357 K1361 | I1194-N1359 PolarHBondContact O-ND2 3.1Å; E1197-N1359 HydrophobicContact CB-CB 3.9Å; E1197-N1359 WeakPolarHBondContact CB-ND2 3.4Å; E1197-N1359 PolarHBondContact OE2-ND2 3.3Å; F1357-N1359 WeakPolarHBondContact CB-OD1 3.24Å; N1359-K1361 WeakPolarHBondContact ND2-CD 3.4Å; N1359-K1361 PolarHBondContact O-N 3.21Å; N1359-K1361 WeakPolarHBondContact OD1-CB 3.14Å; N1359-K1361 PolarHBondContact OD1-N 3.13Å |
| 1360 | G | 88.9 | Confident | 86.6 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 75 | 1.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1357 E1358 | F1357-G1360 PolarHBondContact O-N 3.16Å; E1358-G1360 PolarHBondContact O-N 3.44Å |
| 1361 | K | 93 | Very high | 89.2 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -76.2 | 155.3 | 169.2 | -65 | -176.7 | -179.8 | 165 | 0 | 110 | I1194 E1197 F1357 N1359 | I1194-K1361 HydrophobicContact CD1-CB 4Å; I1194-K1361 HydrophobicContact CG1-CB 3.92Å; I1194-K1361 HydrophobicContact CG1-CD 3.84Å; I1194-K1361 HydrophobicContact CG2-CB 4.43Å; E1197-K1361 IonicContact OE1-NZ 3.85Å; E1197-K1361 PolarHBondContact OE1-NZ 3.08Å; E1197-K1361 WeakPolarHBondContact OE2-CD 3.46Å; E1197-K1361 WeakPolarHBondContact OE2-CE 3.42Å; E1197-K1361 IonicContact OE2-NZ 3.86Å; E1197-K1361 PolarHBondContact OE2-NZ 3.21Å; F1357-K1361 PolarHBondContact N-O 2.98Å; N1359-K1361 WeakPolarHBondContact ND2-CD 3.4Å; N1359-K1361 PolarHBondContact O-N 3.21Å; N1359-K1361 WeakPolarHBondContact OD1-CB 3.14Å; N1359-K1361 PolarHBondContact OD1-N 3.13Å | ||
| 1362 | S | 92.9 | Very high | 90.9 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.1 | -178.2 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | K1190 E1354 F1355 | K1190-S1362 WeakPolarHBondContact CE-O 3.45Å; K1190-S1362 PolarHBondContact NZ-O 3.15Å; E1354-S1362 WeakPolarHBondContact OE1-CB 3.41Å; E1354-S1362 PolarHBondContact OE1-OG 3.02Å; F1355-S1362 WeakPolarHBondContact O-CA 3.33Å |
| 1363 | M | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.2 | 165.4 | -68.3 | -178.2 | 72.2 | 0 | 0 | 109.4 | K1190 F1191 I1194 F1355 F1357 E1367 L1368 | K1190-M1363 HydrophobicContact CD-CE 4.43Å; K1190-M1363 HydrophobicContact CD-CG 4.22Å; K1190-M1363 HydrophobicContact CD-SD 4.48Å; K1190-M1363 HydrophobicContact CG-SD 4.34Å; F1191-M1363 HydrophobicContact CB-CE 4.06Å; F1191-M1363 HydrophobicContact CB-SD 3.82Å; F1191-M1363 HydrophobicContact CD2-SD 3.9Å; F1191-M1363 HydrophobicContact CG-SD 4.37Å; I1194-M1363 HydrophobicContact CD1-CG 3.79Å; I1194-M1363 HydrophobicContact CD1-SD 3.98Å; F1355-M1363 WeakPolarHBondContact CB-O 3.43Å; F1355-M1363 PolarHBondContact N-O 3.39Å; F1355-M1363 PolarHBondContact O-N 3.3Å; F1355-M1363 VanDerWaalsContact O-N 3.13Å; F1357-M1363 HydrophobicContact CE2-CB 4.28Å; F1357-M1363 HydrophobicContact CE2-CG 4.44Å; M1363-E1367 WeakPolarHBondContact CA-OE2 2.95Å; M1363-E1367 HydrophobicContact CB-CB 4.2Å; M1363-E1367 HydrophobicContact CE-CB 3.69Å; M1363-L1368 HydrophobicContact CB-CD2 4.05Å; M1363-L1368 HydrophobicContact CB-CG 4.02Å; M1363-L1368 HydrophobicContact CE-CD2 3.98Å; M1363-L1368 HydrophobicContact SD-CD2 3.85Å |
| 1364 | S | 93.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 161.2 | 170.4 | 69 | 0 | 0 | 0 | 0 | 111.5 | I1353 Y1366 E1367 L1368 | I1353-S1364 WeakPolarHBondContact O-CA 3.33Å; S1364-Y1366 PolarHBondContact O-N 2.96Å; S1364-Y1366 VanDerWaalsContact O-N 3.13Å; S1364-E1367 PolarHBondContact N-OE2 3.49Å; S1364-E1367 PolarHBondContact O-N 3.06Å; S1364-E1367 WeakPolarHBondContact OG-CG 3.31Å; S1364-E1367 PolarHBondContact OG-N 3.48Å; S1364-E1367 PolarHBondContact OG-OE2 3.35Å; S1364-L1368 PolarHBondContact O-N 2.9Å |
| 1365 | Y | 93.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -50.8 | -36 | 171.2 | -176.7 | -96 | 0 | 0 | 0 | 113 | I1353 F1355 L1368 L1369 A1377 N1378 | I1353-Y1365 PolarHBondContact O-N 2.87Å; F1355-Y1365 HydrophobicContact CE2-CD2 4.13Å; F1355-Y1365 HydrophobicContact CZ-CD2 4.27Å; Y1365-L1368 PolarHBondContact O-N 2.97Å; Y1365-L1369 WeakPolarHBondContact O-CB 3.33Å; Y1365-L1369 PolarHBondContact O-N 3.09Å; Y1365-A1377 HydrophobicContact CD2-CB 3.97Å; Y1365-A1377 HydrophobicContact CE2-CB 4.02Å; Y1365-N1378 HydrophobicContact CE2-CB 4.24Å |
| 1366 | Y | 92.4 | Very high | 92.9 | Very high | 111 Ų | 111 | 34.1 Ų | 34.1 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.2 | -39.6 | 178.8 | 176.4 | -97.8 | 0 | 0 | 0 | 112.5 | S1364 L1369 K1370 | S1364-Y1366 PolarHBondContact O-N 2.96Å; S1364-Y1366 VanDerWaalsContact O-N 3.13Å; Y1366-L1369 PolarHBondContact O-N 3.4Å; Y1366-K1370 HydrophobicContact CD1-CG 4.39Å; Y1366-K1370 HydrophobicContact CE1-CG 3.91Å; Y1366-K1370 HydrophobicContact CE2-CG 4.11Å; Y1366-K1370 WeakPolarHBondContact O-CB 3.45Å; Y1366-K1370 WeakPolarHBondContact O-CG 3.22Å; Y1366-K1370 PolarHBondContact O-N 3.08Å; Y1366-K1370 VanDerWaalsContact OH-CE 3.24Å; Y1366-K1370 WeakPolarHBondContact OH-CE 3.44Å |
| 1367 | E | 94.3 | Very high | 93 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.5 | -36.6 | 175.9 | -63.3 | 176.6 | 91.7 | 0 | 0 | 111.9 | Y1187 K1190 M1363 S1364 K1370 S1371 | Y1187-E1367 HydrophobicContact CD1-CB 3.82Å; Y1187-E1367 HydrophobicContact CD1-CG 3.66Å; Y1187-E1367 HydrophobicContact CE1-CB 4.24Å; Y1187-E1367 HydrophobicContact CE1-CG 3.55Å; Y1187-E1367 WeakPolarHBondContact CE1-OE1 3.49Å; Y1187-E1367 HydrophobicContact CG-CB 4.4Å; K1190-E1367 IonicContact NZ-OE1 2.73Å; K1190-E1367 PolarHBondContact NZ-OE1 3.17Å; K1190-E1367 IonicContact NZ-OE2 2.66Å; K1190-E1367 PolarHBondContact NZ-OE2 3.38Å; M1363-E1367 WeakPolarHBondContact CA-OE2 2.95Å; M1363-E1367 HydrophobicContact CB-CB 4.2Å; M1363-E1367 HydrophobicContact CE-CB 3.69Å; S1364-E1367 PolarHBondContact N-OE2 3.49Å; S1364-E1367 PolarHBondContact O-N 3.06Å; S1364-E1367 WeakPolarHBondContact OG-CG 3.31Å; S1364-E1367 PolarHBondContact OG-N 3.48Å; S1364-E1367 PolarHBondContact OG-OE2 3.35Å; E1367-K1370 PolarHBondContact O-N 3.33Å; E1367-S1371 WeakPolarHBondContact O-CB 3.48Å; E1367-S1371 PolarHBondContact O-N 3.45Å; E1367-S1371 PolarHBondContact O-OG 3.49Å |
| 1368 | L | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | 172.2 | -68.4 | 180 | 0 | 0 | 0 | 111.7 | F1191 F1355 F1357 M1363 S1364 Y1365 S1371 G1372 F1373 G1374 A1377 | F1191-L1368 HydrophobicContact CD2-CD2 3.61Å; F1191-L1368 HydrophobicContact CE2-CD2 3.9Å; F1355-L1368 HydrophobicContact CB-CD1 3.88Å; F1355-L1368 HydrophobicContact CD1-CD1 3.95Å; F1355-L1368 HydrophobicContact CD2-CD1 3.53Å; F1355-L1368 HydrophobicContact CE1-CD1 4.38Å; F1355-L1368 HydrophobicContact CE2-CD1 4.02Å; F1355-L1368 HydrophobicContact CG-CD1 3.5Å; F1355-L1368 VanDerWaalsContact CG-CD1 3.5Å; F1355-L1368 HydrophobicContact CZ-CD1 4.42Å; F1357-L1368 HydrophobicContact CZ-CD2 4.31Å; M1363-L1368 HydrophobicContact CB-CD2 4.05Å; M1363-L1368 HydrophobicContact CB-CG 4.02Å; M1363-L1368 HydrophobicContact CE-CD2 3.98Å; M1363-L1368 HydrophobicContact SD-CD2 3.85Å; S1364-L1368 PolarHBondContact O-N 2.9Å; Y1365-L1368 PolarHBondContact O-N 2.97Å; L1368-S1371 WeakPolarHBondContact CA-OG 2.85Å; L1368-S1371 PolarHBondContact O-OG 3.39Å; L1368-S1371 VanDerWaalsContact O-OG 3.14Å; L1368-G1372 PolarHBondContact O-N 2.83Å; L1368-F1373 HydrophobicContact CD2-CB 4.41Å; L1368-F1373 CarbonylContact O-C 3.35Å; L1368-F1373 WeakPolarHBondContact O-CA 3.43Å; L1368-F1373 PolarHBondContact O-N 3.37Å; L1368-G1374 PolarHBondContact O-N 3.48Å; L1368-A1377 HydrophobicContact CB-CB 3.93Å; L1368-A1377 HydrophobicContact CD1-CB 3.69Å; L1368-A1377 HydrophobicContact CG-CB 4.47Å |
| 1369 | L | 93.2 | Very high | 93.2 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 172 | -175.9 | 64.3 | 0 | 0 | 0 | 111.4 | Y1365 Y1366 S1371 G1372 | Y1365-L1369 WeakPolarHBondContact O-CB 3.33Å; Y1365-L1369 PolarHBondContact O-N 3.09Å; Y1366-L1369 PolarHBondContact O-N 3.4Å; L1369-S1371 VanDerWaalsContact C-N 3.33Å; L1369-S1371 PolarHBondContact O-N 3.14Å; L1369-G1372 PolarHBondContact O-N 3.08Å; L1369-G1372 VanDerWaalsContact O-N 3.11Å |
| 1370 | K | 92.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 22% | 0.222 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -26.4 | -179.8 | -76.6 | -62 | -167.8 | 175.6 | 0 | 114.7 | I1183 D1184 Y1187 Y1366 E1367 G1372 | I1183-K1370 WeakPolarHBondContact CA-O 3.46Å; D1184-K1370 HydrophobicContact CB-CB 4.28Å; D1184-K1370 PolarHBondContact N-O 2.95Å; Y1187-K1370 HydrophobicContact CD2-CB 3.84Å; Y1187-K1370 HydrophobicContact CE2-CB 4.5Å; Y1187-K1370 HydrophobicContact CG-CB 4.41Å; Y1366-K1370 HydrophobicContact CD1-CG 4.39Å; Y1366-K1370 HydrophobicContact CE1-CG 3.91Å; Y1366-K1370 HydrophobicContact CE2-CG 4.11Å; Y1366-K1370 WeakPolarHBondContact O-CB 3.45Å; Y1366-K1370 WeakPolarHBondContact O-CG 3.22Å; Y1366-K1370 PolarHBondContact O-N 3.08Å; Y1366-K1370 VanDerWaalsContact OH-CE 3.24Å; Y1366-K1370 WeakPolarHBondContact OH-CE 3.44Å; E1367-K1370 PolarHBondContact O-N 3.33Å; K1370-G1372 VanDerWaalsContact C-N 3.27Å; K1370-G1372 PolarHBondContact O-N 3.29Å |
| 1371 | S | 91.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.5 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | T1188 E1367 L1368 L1369 F1373 | T1188-S1371 WeakPolarHBondContact OG1-CA 3.32Å; T1188-S1371 PolarHBondContact OG1-O 3.38Å; E1367-S1371 WeakPolarHBondContact O-CB 3.48Å; E1367-S1371 PolarHBondContact O-N 3.45Å; E1367-S1371 PolarHBondContact O-OG 3.49Å; L1368-S1371 WeakPolarHBondContact CA-OG 2.85Å; L1368-S1371 PolarHBondContact O-OG 3.39Å; L1368-S1371 VanDerWaalsContact O-OG 3.14Å; L1369-S1371 VanDerWaalsContact C-N 3.33Å; L1369-S1371 PolarHBondContact O-N 3.14Å; S1371-F1373 VanDerWaalsContact O-CD2 3.25Å; S1371-F1373 WeakPolarHBondContact O-CD2 3.4Å; S1371-F1373 WeakPolarHBondContact O-CE2 3.46Å |
| 1372 | G | 91.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1368 L1369 K1370 | L1368-G1372 PolarHBondContact O-N 2.83Å; L1369-G1372 PolarHBondContact O-N 3.08Å; L1369-G1372 VanDerWaalsContact O-N 3.11Å; K1370-G1372 VanDerWaalsContact C-N 3.27Å; K1370-G1372 PolarHBondContact O-N 3.29Å |
| 1373 | F | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | trans | -97.6 | 3.7 | -177.6 | -66.4 | -84.9 | 0 | 0 | 0 | 114.1 | F1191 L1368 S1371 N1375 W1376 A1377 L1519 P1522 L1523 L1526 | F1191-F1373 HydrophobicContact CB-CE2 4.41Å; F1191-F1373 HydrophobicContact CD1-CD1 4.38Å; F1191-F1373 AromaticContact CD1-CD2 3.75Å; F1191-F1373 HydrophobicContact CD1-CD2 3.75Å; F1191-F1373 AromaticContact CD1-CE1 3.98Å; F1191-F1373 HydrophobicContact CD1-CE1 3.98Å; F1191-F1373 AromaticContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CG 4.28Å; F1191-F1373 AromaticContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD1-CZ 3.44Å; F1191-F1373 VanDerWaalsContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD2-CD2 4.34Å; F1191-F1373 AromaticContact CE1-CD1 3.77Å; F1191-F1373 HydrophobicContact CE1-CD1 3.77Å; F1191-F1373 AromaticContact CE1-CD2 3.99Å; F1191-F1373 HydrophobicContact CE1-CD2 3.99Å; F1191-F1373 AromaticContact CE1-CE1 3.36Å; F1191-F1373 HydrophobicContact CE1-CE1 3.36Å; F1191-F1373 AromaticContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CG 4.07Å; F1191-F1373 AromaticContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE2-CD1 4.48Å; F1191-F1373 HydrophobicContact CE2-CG 4.34Å; F1191-F1373 AromaticContact CG-CD2 3.93Å; F1191-F1373 HydrophobicContact CG-CD2 3.93Å; F1191-F1373 AromaticContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CZ 4.42Å; F1191-F1373 AromaticContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD2 4.38Å; F1191-F1373 AromaticContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE2 4.44Å; F1191-F1373 HydrophobicContact CZ-CG 4.09Å; F1191-F1373 HydrophobicContact CZ-CZ 4.2Å; L1368-F1373 HydrophobicContact CD2-CB 4.41Å; L1368-F1373 CarbonylContact O-C 3.35Å; L1368-F1373 WeakPolarHBondContact O-CA 3.43Å; L1368-F1373 PolarHBondContact O-N 3.37Å; S1371-F1373 VanDerWaalsContact O-CD2 3.25Å; S1371-F1373 WeakPolarHBondContact O-CD2 3.4Å; S1371-F1373 WeakPolarHBondContact O-CE2 3.46Å; F1373-N1375 VanDerWaalsContact C-N 3.27Å; F1373-N1375 PolarHBondContact O-N 2.9Å; F1373-W1376 HydrophobicContact CB-CE3 4.37Å; F1373-W1376 PolarHBondContact O-N 2.99Å; F1373-A1377 PolarHBondContact O-N 3.4Å; F1373-L1519 HydrophobicContact CD1-CD1 3.49Å; F1373-L1519 VanDerWaalsContact CD1-CD1 3.49Å; F1373-L1519 HydrophobicContact CE1-CD1 3.59Å; F1373-P1522 HydrophobicContact CD1-CB 3.83Å; F1373-P1522 HydrophobicContact CD1-CG 4.45Å; F1373-P1522 HydrophobicContact CE1-CB 3.41Å; F1373-P1522 VanDerWaalsContact CE1-CB 3.41Å; F1373-P1522 HydrophobicContact CE1-CG 4.42Å; F1373-P1522 HydrophobicContact CZ-CB 3.84Å; F1373-L1523 HydrophobicContact CE1-CD2 4.02Å; F1373-L1523 HydrophobicContact CE1-CG 4.25Å; F1373-L1523 HydrophobicContact CZ-CD2 4.03Å; F1373-L1526 HydrophobicContact CE2-CD1 3.93Å; F1373-L1526 HydrophobicContact CZ-CD1 3.72Å | ||
| 1374 | G | 92.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.9 | -34.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1368 A1377 N1378 | L1368-G1374 PolarHBondContact O-N 3.48Å; G1374-A1377 PolarHBondContact O-N 2.9Å; G1374-N1378 WeakPolarHBondContact O-CB 3.37Å; G1374-N1378 PolarHBondContact O-N 3.03Å |
| 1375 | N | 93.8 | Very high | 93.7 | Very high | 111 Ų | 111 | 37.8 Ų | 37.8 | 59% | 0.594 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.8 | -44 | 175.7 | -73.5 | -18.4 | 0 | 0 | 0 | 111.9 | F1373 N1378 Q1379 Y1518 | F1373-N1375 VanDerWaalsContact C-N 3.27Å; F1373-N1375 PolarHBondContact O-N 2.9Å; N1375-N1378 PolarHBondContact O-N 3.49Å; N1375-Q1379 WeakPolarHBondContact O-CG 3.29Å; N1375-Q1379 PolarHBondContact O-N 2.88Å; N1375-Q1379 VanDerWaalsContact O-N 3.15Å; N1375-Y1518 HydrophobicContact CB-CD1 4.11Å |
| 1376 | W | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.4 | 171.1 | 79.4 | 0 | 0 | 0 | 111.1 | F1191 S1233 L1236 F1357 F1373 N1378 Q1379 I1380 L1519 | F1191-W1376 HydrophobicContact CE2-CH2 4.31Å; F1191-W1376 AromaticContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CZ-CH2 4.43Å; F1191-W1376 HydrophobicContact CZ-CZ3 4.14Å; S1233-W1376 PolarHBondContact OG-NE1 3.1Å; L1236-W1376 HydrophobicContact CD1-CH2 3.4Å; L1236-W1376 VanDerWaalsContact CD1-CH2 3.4Å; L1236-W1376 HydrophobicContact CD1-CZ2 3.8Å; L1236-W1376 HydrophobicContact CD1-CZ3 4.43Å; F1357-W1376 HydrophobicContact CE1-CH2 4.24Å; F1357-W1376 HydrophobicContact CZ-CH2 4.44Å; F1357-W1376 HydrophobicContact CZ-CZ3 4.45Å; F1373-W1376 HydrophobicContact CB-CE3 4.37Å; F1373-W1376 PolarHBondContact O-N 2.99Å; W1376-N1378 VanDerWaalsContact C-N 3.31Å; W1376-N1378 PolarHBondContact O-N 3.31Å; W1376-Q1379 PolarHBondContact O-N 2.88Å; W1376-Q1379 VanDerWaalsContact O-N 3.07Å; W1376-I1380 HydrophobicContact CD2-CG1 4.01Å; W1376-I1380 HydrophobicContact CG-CG1 4.35Å; W1376-I1380 HydrophobicContact CZ2-CD1 3.99Å; W1376-I1380 HydrophobicContact CZ2-CG1 4.18Å; W1376-I1380 VanDerWaalsContact O-CG1 3.26Å; W1376-I1380 WeakPolarHBondContact O-CG1 3.4Å; W1376-I1380 PolarHBondContact O-N 3.04Å; W1376-L1519 HydrophobicContact CB-CD1 4.47Å; W1376-L1519 HydrophobicContact CD2-CD1 3.86Å; W1376-L1519 HydrophobicContact CE3-CD1 4.26Å; W1376-L1519 HydrophobicContact CG-CB 4.4Å; W1376-L1519 HydrophobicContact CG-CD1 3.97Å; W1376-L1519 HydrophobicContact CZ2-CD2 4.14Å |
| 1377 | A | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1355 Y1365 L1368 F1373 G1374 I1380 Q1381 | F1355-A1377 HydrophobicContact CE1-CB 4.18Å; F1355-A1377 HydrophobicContact CE2-CB 4.31Å; F1355-A1377 HydrophobicContact CZ-CB 3.85Å; Y1365-A1377 HydrophobicContact CD2-CB 3.97Å; Y1365-A1377 HydrophobicContact CE2-CB 4.02Å; L1368-A1377 HydrophobicContact CB-CB 3.93Å; L1368-A1377 HydrophobicContact CD1-CB 3.69Å; L1368-A1377 HydrophobicContact CG-CB 4.47Å; F1373-A1377 PolarHBondContact O-N 3.4Å; G1374-A1377 PolarHBondContact O-N 2.9Å; A1377-I1380 PolarHBondContact O-N 3.1Å; A1377-Q1381 PolarHBondContact O-N 3.36Å; A1377-Q1381 VanDerWaalsContact O-N 3.17Å |
| 1378 | N | 94.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 35 Ų | 35 | 32% | 0.316 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 173.5 | -175.6 | -9.4 | 0 | 0 | 0 | 111.4 | Y1365 G1374 N1375 W1376 Q1381 Q1382 | Y1365-N1378 HydrophobicContact CE2-CB 4.24Å; G1374-N1378 WeakPolarHBondContact O-CB 3.37Å; G1374-N1378 PolarHBondContact O-N 3.03Å; N1375-N1378 PolarHBondContact O-N 3.49Å; W1376-N1378 VanDerWaalsContact C-N 3.31Å; W1376-N1378 PolarHBondContact O-N 3.31Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.41Å; N1378-Q1381 PolarHBondContact O-N 3.38Å; N1378-Q1381 VanDerWaalsContact O-N 3.15Å; N1378-Q1382 WeakPolarHBondContact O-CG 3.46Å; N1378-Q1382 PolarHBondContact O-N 2.79Å; N1378-Q1382 PolarHBondContact OD1-NE2 3.48Å |
| 1379 | Q | 96.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -36.6 | 177.4 | -66 | -67.4 | -17.2 | 0 | 0 | 112.7 | N1375 W1376 Q1381 Q1382 L1383 M1514 Y1518 | N1375-Q1379 WeakPolarHBondContact O-CG 3.29Å; N1375-Q1379 PolarHBondContact O-N 2.88Å; N1375-Q1379 VanDerWaalsContact O-N 3.15Å; W1376-Q1379 PolarHBondContact O-N 2.88Å; W1376-Q1379 VanDerWaalsContact O-N 3.07Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 2.89Å; Q1379-Q1382 PolarHBondContact O-N 3.18Å; Q1379-Q1382 VanDerWaalsContact O-N 3.16Å; Q1379-L1383 WeakPolarHBondContact O-CB 3.36Å; Q1379-L1383 PolarHBondContact O-N 3.27Å; Q1379-M1514 HydrophobicContact CB-CG 3.78Å; Q1379-M1514 HydrophobicContact CB-SD 3.81Å; Q1379-Y1518 HydrophobicContact CB-CD2 4.33Å; Q1379-Y1518 HydrophobicContact CG-CD1 4.23Å; Q1379-Y1518 HydrophobicContact CG-CD2 3.7Å; Q1379-Y1518 HydrophobicContact CG-CE1 4.19Å; Q1379-Y1518 HydrophobicContact CG-CE2 3.65Å; Q1379-Y1518 HydrophobicContact CG-CG 3.99Å; Q1379-Y1518 PolarHBondContact NE2-OH 3.04Å |
| 1380 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -40.4 | 170.2 | -67.1 | -76.9 | 0 | 0 | 0 | 111 | S1233 L1236 A1237 V1240 F1355 W1376 A1377 S1384 M1514 | S1233-I1380 WeakPolarHBondContact O-CD1 3.44Å; L1236-I1380 HydrophobicContact CB-CD1 4.43Å; L1236-I1380 HydrophobicContact CB-CG2 4.21Å; A1237-I1380 HydrophobicContact CB-CG2 4.09Å; V1240-I1380 HydrophobicContact CG2-CG2 4.5Å; F1355-I1380 HydrophobicContact CD1-CG2 4.1Å; F1355-I1380 HydrophobicContact CE1-CB 4.08Å; F1355-I1380 HydrophobicContact CE1-CG2 3.69Å; W1376-I1380 HydrophobicContact CD2-CG1 4.01Å; W1376-I1380 HydrophobicContact CG-CG1 4.35Å; W1376-I1380 HydrophobicContact CZ2-CD1 3.99Å; W1376-I1380 HydrophobicContact CZ2-CG1 4.18Å; W1376-I1380 VanDerWaalsContact O-CG1 3.26Å; W1376-I1380 WeakPolarHBondContact O-CG1 3.4Å; W1376-I1380 PolarHBondContact O-N 3.04Å; A1377-I1380 PolarHBondContact O-N 3.1Å; I1380-S1384 WeakPolarHBondContact O-CB 3.32Å; I1380-S1384 PolarHBondContact O-N 3.18Å; I1380-M1514 HydrophobicContact CD1-CE 3.77Å; I1380-M1514 HydrophobicContact CG1-CE 4.46Å |
| 1381 | Q | 93.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.5 | -31.8 | 176.2 | -171.6 | -172.4 | -10.5 | 0 | 0 | 113.1 | I1353 A1377 N1378 Q1379 S1384 N1385 | I1353-Q1381 HydrophobicContact CD1-CG 4.05Å; A1377-Q1381 PolarHBondContact O-N 3.36Å; A1377-Q1381 VanDerWaalsContact O-N 3.17Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.41Å; N1378-Q1381 PolarHBondContact O-N 3.38Å; N1378-Q1381 VanDerWaalsContact O-N 3.15Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 2.89Å; Q1381-S1384 WeakPolarHBondContact CA-OG 3.34Å; Q1381-S1384 PolarHBondContact O-OG 3.19Å; Q1381-N1385 PolarHBondContact O-N 3.2Å; Q1381-N1385 PolarHBondContact O-ND2 2.95Å; Q1381-N1385 VanDerWaalsContact O-ND2 3.12Å |
| 1382 | Q | 93.4 | Very high | 92.8 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 38% | 0.379 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.9 | -44.4 | 172.6 | -69 | 177.6 | 49.4 | 0 | 0 | 110.7 | N1378 Q1379 N1385 Q1386 | N1378-Q1382 WeakPolarHBondContact O-CG 3.46Å; N1378-Q1382 PolarHBondContact O-N 2.79Å; N1378-Q1382 PolarHBondContact OD1-NE2 3.48Å; Q1379-Q1382 PolarHBondContact O-N 3.18Å; Q1379-Q1382 VanDerWaalsContact O-N 3.16Å; Q1382-N1385 PolarHBondContact O-N 3.34Å; Q1382-Q1386 WeakPolarHBondContact O-CG 3.29Å; Q1382-Q1386 PolarHBondContact O-N 2.88Å; Q1382-Q1386 VanDerWaalsContact O-N 3.09Å |
| 1383 | L | 95.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 174.1 | 178.7 | 64.9 | 0 | 0 | 0 | 112 | A1237 Q1379 N1385 Q1386 L1387 I1511 M1514 | A1237-L1383 HydrophobicContact CB-CB 4.17Å; A1237-L1383 HydrophobicContact CB-CD2 3.62Å; A1237-L1383 HydrophobicContact CB-CG 3.8Å; Q1379-L1383 WeakPolarHBondContact O-CB 3.36Å; Q1379-L1383 PolarHBondContact O-N 3.27Å; L1383-N1385 VanDerWaalsContact C-N 3.3Å; L1383-N1385 PolarHBondContact O-N 2.84Å; L1383-Q1386 PolarHBondContact O-N 3.1Å; L1383-L1387 HydrophobicContact CD1-CD1 4.15Å; L1383-L1387 HydrophobicContact CD1-CD2 4.44Å; L1383-L1387 HydrophobicContact CD1-CG 3.98Å; L1383-L1387 HydrophobicContact CD2-CD1 4.45Å; L1383-L1387 HydrophobicContact CG-CD1 3.91Å; L1383-L1387 HydrophobicContact CG-CG 4.19Å; L1383-L1387 WeakPolarHBondContact O-CB 3.42Å; L1383-L1387 WeakPolarHBondContact O-CG 3.41Å; L1383-L1387 PolarHBondContact O-N 3.01Å; L1383-I1511 HydrophobicContact CD1-CG1 4.18Å; L1383-I1511 HydrophobicContact CD2-CG1 3.81Å; L1383-M1514 HydrophobicContact CB-SD 4.11Å; L1383-M1514 HydrophobicContact CD2-CE 3.78Å; L1383-M1514 HydrophobicContact CD2-SD 3.89Å |
| 1384 | S | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 177.9 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | A1237 A1241 I1380 Q1381 K1388 | A1237-S1384 WeakPolarHBondContact O-CA 3.36Å; A1237-S1384 WeakPolarHBondContact O-CB 3.3Å; A1241-S1384 WeakPolarHBondContact CB-O 3.41Å; I1380-S1384 WeakPolarHBondContact O-CB 3.32Å; I1380-S1384 PolarHBondContact O-N 3.18Å; Q1381-S1384 WeakPolarHBondContact CA-OG 3.34Å; Q1381-S1384 PolarHBondContact O-OG 3.19Å; S1384-K1388 VanDerWaalsContact O-CB 3.31Å; S1384-K1388 WeakPolarHBondContact O-CB 3.41Å; S1384-K1388 PolarHBondContact O-N 2.94Å |
| 1385 | N | 91.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67 | -40.7 | 176.8 | -68.7 | -31.1 | 0 | 0 | 0 | 112.2 | Q1381 Q1382 L1383 L1389 | Q1381-N1385 PolarHBondContact O-N 3.2Å; Q1381-N1385 PolarHBondContact O-ND2 2.95Å; Q1381-N1385 VanDerWaalsContact O-ND2 3.12Å; Q1382-N1385 PolarHBondContact O-N 3.34Å; L1383-N1385 VanDerWaalsContact C-N 3.3Å; L1383-N1385 PolarHBondContact O-N 2.84Å; N1385-L1389 WeakPolarHBondContact O-CB 3.41Å; N1385-L1389 WeakPolarHBondContact O-CG 3.44Å; N1385-L1389 PolarHBondContact O-N 3.27Å; N1385-L1389 VanDerWaalsContact O-N 3.09Å |
| 1386 | Q | 92.8 | Very high | 92 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 175 | -70.5 | 179.8 | 14.2 | 0 | 0 | 112 | Q1382 L1383 K1388 L1389 L1390 | Q1382-Q1386 WeakPolarHBondContact O-CG 3.29Å; Q1382-Q1386 PolarHBondContact O-N 2.88Å; Q1382-Q1386 VanDerWaalsContact O-N 3.09Å; L1383-Q1386 PolarHBondContact O-N 3.1Å; Q1386-K1388 PolarHBondContact O-N 3.5Å; Q1386-L1389 PolarHBondContact O-N 3.41Å; Q1386-L1390 WeakPolarHBondContact O-CB 3.43Å; Q1386-L1390 PolarHBondContact O-N 2.86Å |
| 1387 | L | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 177.7 | -70.8 | 173.8 | 0 | 0 | 0 | 111.3 | F1234 A1237 W1238 L1383 L1390 I1391 Q1507 | F1234-L1387 HydrophobicContact CD2-CD1 3.88Å; F1234-L1387 HydrophobicContact CE2-CD1 3.74Å; F1234-L1387 HydrophobicContact CE2-CD2 4.01Å; A1237-L1387 HydrophobicContact CB-CD1 4.09Å; W1238-L1387 HydrophobicContact CE3-CB 4.01Å; W1238-L1387 HydrophobicContact CZ3-CB 4.1Å; L1383-L1387 HydrophobicContact CD1-CD1 4.15Å; L1383-L1387 HydrophobicContact CD1-CD2 4.44Å; L1383-L1387 HydrophobicContact CD1-CG 3.98Å; L1383-L1387 HydrophobicContact CD2-CD1 4.45Å; L1383-L1387 HydrophobicContact CG-CD1 3.91Å; L1383-L1387 HydrophobicContact CG-CG 4.19Å; L1383-L1387 WeakPolarHBondContact O-CB 3.42Å; L1383-L1387 WeakPolarHBondContact O-CG 3.41Å; L1383-L1387 PolarHBondContact O-N 3.01Å; L1387-L1390 PolarHBondContact O-N 3.16Å; L1387-I1391 HydrophobicContact CD2-CD1 4.01Å; L1387-I1391 VanDerWaalsContact O-CB 3.28Å; L1387-I1391 WeakPolarHBondContact O-CB 3.45Å; L1387-I1391 PolarHBondContact O-N 3.36Å; L1387-Q1507 HydrophobicContact CD2-CB 4.4Å; L1387-Q1507 HydrophobicContact CD2-CG 4.08Å |
| 1388 | K | 91 | Very high | 91.8 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -52.8 | 178.2 | -164.1 | -179.7 | -169.1 | -176.5 | 0 | 112 | A1241 T1244 E1245 S1384 Q1386 L1390 Q1392 | A1241-K1388 HydrophobicContact CB-CB 4.2Å; T1244-K1388 PolarHBondContact OG1-NZ 3.42Å; E1245-K1388 WeakPolarHBondContact OE1-CE 3.5Å; E1245-K1388 IonicContact OE1-NZ 3.84Å; S1384-K1388 VanDerWaalsContact O-CB 3.31Å; S1384-K1388 WeakPolarHBondContact O-CB 3.41Å; S1384-K1388 PolarHBondContact O-N 2.94Å; Q1386-K1388 PolarHBondContact O-N 3.5Å; K1388-L1390 VanDerWaalsContact C-N 3.32Å; K1388-L1390 PolarHBondContact O-N 3.26Å; K1388-Q1392 PolarHBondContact O-N 3.03Å |
| 1389 | L | 90.2 | Very high | 91.8 | Very high | 112 Ų | 112 | 40.6 Ų | 40.6 | 59% | 0.586 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -64.3 | -34.6 | 179.8 | -71.5 | 171.7 | 0 | 0 | 0 | 113 | N1385 Q1386 Q1392 | N1385-L1389 WeakPolarHBondContact O-CB 3.41Å; N1385-L1389 WeakPolarHBondContact O-CG 3.44Å; N1385-L1389 PolarHBondContact O-N 3.27Å; N1385-L1389 VanDerWaalsContact O-N 3.09Å; Q1386-L1389 PolarHBondContact O-N 3.41Å; L1389-Q1392 WeakPolarHBondContact O-CG 3.46Å; L1389-Q1392 PolarHBondContact O-NE2 3.33Å |
| 1390 | L | 91.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.8 | -44.8 | 179.5 | 175.4 | 60.4 | 0 | 0 | 0 | 112.7 | Q1386 L1387 K1388 Y1500 K1503 V1504 Q1507 | Q1386-L1390 WeakPolarHBondContact O-CB 3.43Å; Q1386-L1390 PolarHBondContact O-N 2.86Å; L1387-L1390 PolarHBondContact O-N 3.16Å; K1388-L1390 VanDerWaalsContact C-N 3.32Å; K1388-L1390 PolarHBondContact O-N 3.26Å; L1390-Y1500 HydrophobicContact CD1-CD2 4.39Å; L1390-Y1500 HydrophobicContact CD1-CE2 4.48Å; L1390-Y1500 WeakPolarHBondContact O-CE2 3.2Å; L1390-K1503 HydrophobicContact CD1-CB 3.64Å; L1390-K1503 HydrophobicContact CD1-CD 4.07Å; L1390-K1503 HydrophobicContact CD1-CG 4.49Å; L1390-K1503 HydrophobicContact CD2-CB 4.39Å; L1390-V1504 HydrophobicContact CD1-CG2 4.44Å; L1390-V1504 HydrophobicContact CD2-CG2 4.08Å; L1390-V1504 HydrophobicContact CG-CG2 4.14Å; L1390-Q1507 HydrophobicContact CD2-CG 3.74Å |
| 1391 | I | 89.2 | Confident | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -93.8 | -30.8 | -160.3 | -70 | 177.2 | 0 | 0 | 0 | 113.6 | W1238 L1387 D1393 D1394 A1397 I1398 Y1500 V1504 | W1238-I1391 HydrophobicContact CH2-CB 4.43Å; W1238-I1391 HydrophobicContact CH2-CG2 4.18Å; W1238-I1391 HydrophobicContact CZ3-CB 4.44Å; L1387-I1391 HydrophobicContact CD2-CD1 4.01Å; L1387-I1391 VanDerWaalsContact O-CB 3.28Å; L1387-I1391 WeakPolarHBondContact O-CB 3.45Å; L1387-I1391 PolarHBondContact O-N 3.36Å; I1391-D1393 PolarHBondContact O-N 3.34Å; I1391-D1394 HydrophobicContact CG2-CB 4.04Å; I1391-D1394 WeakPolarHBondContact CG2-O 3.33Å; I1391-D1394 VanDerWaalsContact O-CB 3.29Å; I1391-D1394 WeakPolarHBondContact O-CB 3.46Å; I1391-D1394 PolarHBondContact O-N 2.98Å; I1391-D1394 VanDerWaalsContact O-N 3.11Å; I1391-A1397 HydrophobicContact CG2-CB 4.36Å; I1391-I1398 HydrophobicContact CD1-CD1 3.38Å; I1391-I1398 HydrophobicContact CD1-CG1 4.2Å; I1391-I1398 HydrophobicContact CG2-CD1 4.34Å; I1391-I1398 HydrophobicContact CG2-CG1 4.13Å; I1391-Y1500 PolarHBondContact O-OH 3.27Å; I1391-V1504 HydrophobicContact CG1-CG2 4.31Å |
| 1392 | Q | 83.2 | Confident | 91.9 | Very high | 40 Ų | 40 | 35.4 Ų | 35.4 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 65.6 | 166.1 | -52.9 | -174.4 | -3.1 | 0 | 0 | 113.2 | K1388 L1389 D1394 T1491 R1495 | K1388-Q1392 PolarHBondContact O-N 3.03Å; L1389-Q1392 WeakPolarHBondContact O-CG 3.46Å; L1389-Q1392 PolarHBondContact O-NE2 3.33Å; Q1392-D1394 PolarHBondContact O-N 2.98Å; Q1392-D1394 VanDerWaalsContact O-N 3.1Å; Q1392-T1491 PolarHBondContact NE2-O 2.67Å; Q1392-T1491 PolarHBondContact OE1-O 2.7Å; Q1392-R1495 PolarHBondContact O-NH1 2.96Å |
| 1393 | D | 81.4 | Confident | 92.1 | Very high | 97 Ų | 97 | 31.6 Ų | 31.6 | 52% | 0.519 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 15.1 | -178.7 | -63.4 | -69.5 | 0 | 0 | 0 | 116.1 | I1391 Y1395 | I1391-D1393 PolarHBondContact O-N 3.34Å; D1393-Y1395 VanDerWaalsContact C-N 3.26Å; D1393-Y1395 HydrophobicContact CB-CE2 3.81Å; D1393-Y1395 WeakPolarHBondContact O-CD2 3.28Å; D1393-Y1395 WeakPolarHBondContact O-CE2 3.2Å; D1393-Y1395 PolarHBondContact O-N 3.45Å; D1393-Y1395 WeakPolarHBondContact OD1-CE2 3.48Å; D1393-Y1395 PolarHBondContact OD1-OH 3.11Å |
| 1394 | D | 89.9 | Confident | 92.1 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | trans | -83 | 67.2 | 170.6 | -149.4 | -29.9 | 0 | 0 | 0 | 112.1 | I1391 Q1392 N1396 A1397 I1398 H1438 S1442 R1495 Y1500 | I1391-D1394 HydrophobicContact CG2-CB 4.04Å; I1391-D1394 WeakPolarHBondContact CG2-O 3.33Å; I1391-D1394 VanDerWaalsContact O-CB 3.29Å; I1391-D1394 WeakPolarHBondContact O-CB 3.46Å; I1391-D1394 PolarHBondContact O-N 2.98Å; I1391-D1394 VanDerWaalsContact O-N 3.11Å; Q1392-D1394 PolarHBondContact O-N 2.98Å; Q1392-D1394 VanDerWaalsContact O-N 3.1Å; D1394-N1396 PolarHBondContact O-N 3.49Å; D1394-N1396 VanDerWaalsContact O-N 3.08Å; D1394-A1397 HydrophobicContact CB-CB 4.14Å; D1394-A1397 WeakPolarHBondContact O-CA 3.43Å; D1394-A1397 WeakPolarHBondContact O-CB 3.18Å; D1394-A1397 PolarHBondContact O-N 2.93Å; D1394-I1398 PolarHBondContact O-N 3.1Å; D1394-H1438 VanDerWaalsContact CG-NE2 3.3Å; D1394-H1438 IonicContact OD1-CD2 3.09Å; D1394-H1438 IonicContact OD1-CE1 3.85Å; D1394-H1438 IonicContact OD1-NE2 2.78Å; D1394-H1438 PolarHBondContact OD1-NE2 2.73Å; D1394-H1438 IonicContact OD2-CD2 2.78Å; D1394-H1438 IonicContact OD2-NE2 3.95Å; D1394-H1438 PolarHBondContact OD2-NE2 2.77Å; D1394-H1438 VanDerWaalsContact OD2-NE2 3.17Å; D1394-S1442 PolarHBondContact OD2-OG 3.03Å; D1394-R1495 IonicContact OD1-NH2 3.62Å; D1394-R1495 IonicContact OD2-CZ 3.16Å; D1394-R1495 IonicContact OD2-NE 2.7Å; D1394-R1495 PolarHBondContact OD2-NE 3.45Å; D1394-R1495 IonicContact OD2-NH2 2.94Å; D1394-R1495 PolarHBondContact OD2-NH2 3.03Å; D1394-Y1500 VanDerWaalsContact CB-OH 3.24Å; D1394-Y1500 WeakPolarHBondContact CB-OH 3.45Å | ||
| 1395 | Y | 91.2 | Very high | 92.2 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 30% | 0.298 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -54.8 | -27.9 | 178.2 | -59.9 | -87.1 | 0 | 0 | 0 | 113.2 | W1238 M1242 D1393 A1397 I1398 W1399 | W1238-Y1395 HydrophobicContact CZ2-CD1 4.04Å; W1238-Y1395 AromaticContact CZ2-CE1 3.82Å; W1238-Y1395 HydrophobicContact CZ2-CE1 3.82Å; M1242-Y1395 HydrophobicContact SD-CE1 3.67Å; D1393-Y1395 VanDerWaalsContact C-N 3.26Å; D1393-Y1395 HydrophobicContact CB-CE2 3.81Å; D1393-Y1395 WeakPolarHBondContact O-CD2 3.28Å; D1393-Y1395 WeakPolarHBondContact O-CE2 3.2Å; D1393-Y1395 PolarHBondContact O-N 3.45Å; D1393-Y1395 WeakPolarHBondContact OD1-CE2 3.48Å; D1393-Y1395 PolarHBondContact OD1-OH 3.11Å; Y1395-A1397 VanDerWaalsContact C-N 3.27Å; Y1395-A1397 PolarHBondContact O-N 2.84Å; Y1395-I1398 WeakPolarHBondContact O-CB 3.2Å; Y1395-I1398 PolarHBondContact O-N 3.3Å; Y1395-I1398 VanDerWaalsContact O-N 3.14Å; Y1395-W1399 VanDerWaalsContact O-CG 3.28Å; Y1395-W1399 PolarHBondContact O-N 2.73Å |
| 1396 | N | 91.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 28 Ų | 28 | 27% | 0.267 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 172.6 | -73.4 | -81.6 | 0 | 0 | 0 | 112.8 | L1128 D1394 W1399 G1400 H1438 | L1128-N1396 HydrophobicContact CD2-CB 4.27Å; D1394-N1396 PolarHBondContact O-N 3.49Å; D1394-N1396 VanDerWaalsContact O-N 3.08Å; N1396-W1399 HydrophobicContact CB-CE3 4.29Å; N1396-W1399 HydrophobicContact CB-CZ3 4.46Å; N1396-W1399 WeakPolarHBondContact OD1-CZ3 3.36Å; N1396-G1400 PolarHBondContact O-N 3.23Å; N1396-H1438 WeakPolarHBondContact CB-NE2 3.34Å |
| 1397 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1391 D1394 Y1395 G1400 L1401 L1435 V1504 | I1391-A1397 HydrophobicContact CG2-CB 4.36Å; D1394-A1397 HydrophobicContact CB-CB 4.14Å; D1394-A1397 WeakPolarHBondContact O-CA 3.43Å; D1394-A1397 WeakPolarHBondContact O-CB 3.18Å; D1394-A1397 PolarHBondContact O-N 2.93Å; Y1395-A1397 VanDerWaalsContact C-N 3.27Å; Y1395-A1397 PolarHBondContact O-N 2.84Å; A1397-G1400 PolarHBondContact O-N 3.22Å; A1397-L1401 WeakPolarHBondContact O-CB 3.4Å; A1397-L1401 PolarHBondContact O-N 3.03Å; A1397-L1435 HydrophobicContact CB-CD1 4.16Å; A1397-V1504 HydrophobicContact CB-CG1 4.24Å |
| 1398 | I | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -51.8 | 174.6 | -64.3 | -67.9 | 0 | 0 | 0 | 111.3 | Y1135 F1234 W1238 I1391 D1394 Y1395 G1400 L1401 A1402 | Y1135-I1398 HydrophobicContact CE2-CG2 4.11Å; F1234-I1398 HydrophobicContact CE1-CG2 4.01Å; F1234-I1398 HydrophobicContact CE2-CD1 4.17Å; F1234-I1398 HydrophobicContact CZ-CB 4.42Å; F1234-I1398 HydrophobicContact CZ-CD1 3.72Å; F1234-I1398 HydrophobicContact CZ-CG2 3.92Å; W1238-I1398 HydrophobicContact CD2-CD1 3.44Å; W1238-I1398 VanDerWaalsContact CD2-CD1 3.44Å; W1238-I1398 HydrophobicContact CD2-CG1 3.8Å; W1238-I1398 HydrophobicContact CD2-CG2 4.43Å; W1238-I1398 HydrophobicContact CE3-CD1 3.34Å; W1238-I1398 HydrophobicContact CE3-CG1 4.08Å; W1238-I1398 HydrophobicContact CG-CD1 4.05Å; W1238-I1398 HydrophobicContact CG-CG1 4.39Å; W1238-I1398 HydrophobicContact CG-CG2 4.14Å; W1238-I1398 HydrophobicContact CH2-CD1 4.05Å; W1238-I1398 HydrophobicContact CH2-CG1 4.06Å; W1238-I1398 HydrophobicContact CZ2-CD1 4.15Å; W1238-I1398 HydrophobicContact CZ2-CG1 3.8Å; W1238-I1398 HydrophobicContact CZ3-CD1 3.66Å; W1238-I1398 HydrophobicContact CZ3-CG1 4.2Å; I1391-I1398 HydrophobicContact CD1-CD1 3.38Å; I1391-I1398 HydrophobicContact CD1-CG1 4.2Å; I1391-I1398 HydrophobicContact CG2-CD1 4.34Å; I1391-I1398 HydrophobicContact CG2-CG1 4.13Å; D1394-I1398 PolarHBondContact O-N 3.1Å; Y1395-I1398 WeakPolarHBondContact O-CB 3.2Å; Y1395-I1398 PolarHBondContact O-N 3.3Å; Y1395-I1398 VanDerWaalsContact O-N 3.14Å; I1398-G1400 VanDerWaalsContact C-N 3.3Å; I1398-G1400 PolarHBondContact O-N 3.17Å; I1398-L1401 PolarHBondContact O-N 2.69Å; I1398-L1401 VanDerWaalsContact O-N 3.16Å; I1398-A1402 PolarHBondContact O-N 3.18Å |
| 1399 | W | 94.1 | Very high | 92 | Very high | 40 Ų | 40 | 24.6 Ų | 24.6 | 15% | 0.152 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | -179 | -52.2 | -37.1 | 0 | 0 | 0 | 112.3 | L1131 S1132 Y1135 Y1395 N1396 A1403 | L1131-W1399 HydrophobicContact CB-CB 4.16Å; S1132-W1399 VanDerWaalsContact CB-CE3 3.46Å; S1132-W1399 VanDerWaalsContact CB-CZ3 3.49Å; Y1135-W1399 AromaticContact CD1-CD1 3.67Å; Y1135-W1399 AromaticContact CD1-NE1 3.73Å; Y1135-W1399 AromaticContact CD2-CD1 3.84Å; Y1135-W1399 AromaticContact CG-CD1 3.41Å; Y1135-W1399 VanDerWaalsContact CG-CD1 3.41Å; Y1135-W1399 HydrophobicContact CG-CG 4.47Å; Y1135-W1399 AromaticContact CG-NE1 3.91Å; Y1395-W1399 VanDerWaalsContact O-CG 3.28Å; Y1395-W1399 PolarHBondContact O-N 2.73Å; N1396-W1399 HydrophobicContact CB-CE3 4.29Å; N1396-W1399 HydrophobicContact CB-CZ3 4.46Å; N1396-W1399 WeakPolarHBondContact OD1-CZ3 3.36Å; W1399-A1403 PolarHBondContact O-N 2.81Å |
| 1400 | G | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.3 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | N1396 A1397 I1398 L1404 | N1396-G1400 PolarHBondContact O-N 3.23Å; A1397-G1400 PolarHBondContact O-N 3.22Å; I1398-G1400 VanDerWaalsContact C-N 3.3Å; I1398-G1400 PolarHBondContact O-N 3.17Å; G1400-L1404 WeakPolarHBondContact O-CB 3.39Å; G1400-L1404 WeakPolarHBondContact O-CG 3.41Å; G1400-L1404 PolarHBondContact O-N 3.44Å |
| 1401 | L | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.4 | -42.3 | 176.5 | -178 | 58.7 | 0 | 0 | 0 | 111.7 | F1234 A1397 I1398 A1403 L1404 I1405 V1504 Q1507 K1508 | F1234-L1401 HydrophobicContact CD2-CD2 4.41Å; F1234-L1401 HydrophobicContact CE1-CB 4.5Å; F1234-L1401 HydrophobicContact CE1-CG 4.47Å; F1234-L1401 HydrophobicContact CE2-CD2 3.56Å; F1234-L1401 HydrophobicContact CE2-CG 4.17Å; F1234-L1401 HydrophobicContact CZ-CB 4.09Å; F1234-L1401 HydrophobicContact CZ-CD2 3.69Å; F1234-L1401 HydrophobicContact CZ-CG 3.95Å; A1397-L1401 WeakPolarHBondContact O-CB 3.4Å; A1397-L1401 PolarHBondContact O-N 3.03Å; I1398-L1401 PolarHBondContact O-N 2.69Å; I1398-L1401 VanDerWaalsContact O-N 3.16Å; L1401-A1403 VanDerWaalsContact C-N 3.35Å; L1401-A1403 PolarHBondContact O-N 2.96Å; L1401-L1404 CarbonylContact O-C 3.59Å; L1401-L1404 WeakPolarHBondContact O-CA 3.09Å; L1401-L1404 WeakPolarHBondContact O-CB 3.44Å; L1401-L1404 PolarHBondContact O-N 3.17Å; L1401-I1405 HydrophobicContact CD1-CD1 4.44Å; L1401-I1405 HydrophobicContact CD1-CG1 4.47Å; L1401-I1405 HydrophobicContact CG-CD1 4.1Å; L1401-I1405 WeakPolarHBondContact O-CG1 3.36Å; L1401-I1405 PolarHBondContact O-N 3.13Å; L1401-V1504 HydrophobicContact CD2-CG1 4.4Å; L1401-Q1507 HydrophobicContact CD2-CB 3.83Å; L1401-Q1507 HydrophobicContact CD2-CG 4.48Å; L1401-K1508 HydrophobicContact CD1-CB 3.9Å |
| 1402 | A | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.8 | -47.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1135 Y1205 L1231 F1234 I1398 L1404 I1405 L1406 | Y1135-A1402 HydrophobicContact CD2-CB 3.96Å; Y1135-A1402 HydrophobicContact CE2-CB 3.86Å; Y1205-A1402 WeakPolarHBondContact OH-CB 3.39Å; L1231-A1402 HydrophobicContact CD1-CB 3.99Å; F1234-A1402 HydrophobicContact CD1-CB 4.22Å; F1234-A1402 HydrophobicContact CE1-CB 3.92Å; I1398-A1402 PolarHBondContact O-N 3.18Å; A1402-L1404 VanDerWaalsContact C-N 3.26Å; A1402-L1404 PolarHBondContact O-N 3.34Å; A1402-I1405 PolarHBondContact O-N 2.8Å; A1402-L1406 PolarHBondContact O-N 3.46Å; A1402-L1406 VanDerWaalsContact O-N 3.09Å |
| 1403 | A | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -27.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1131 V1209 W1399 L1401 V1407 F1431 | L1131-A1403 HydrophobicContact CD1-CB 3.79Å; L1131-A1403 HydrophobicContact CD2-CB 3.73Å; L1131-A1403 HydrophobicContact CG-CB 4.43Å; V1209-A1403 HydrophobicContact CG1-CB 4.46Å; W1399-A1403 PolarHBondContact O-N 2.81Å; L1401-A1403 VanDerWaalsContact C-N 3.35Å; L1401-A1403 PolarHBondContact O-N 2.96Å; A1403-V1407 PolarHBondContact O-N 3.33Å; A1403-V1407 VanDerWaalsContact O-N 3.13Å; A1403-F1431 HydrophobicContact CB-CD1 4.28Å; A1403-F1431 HydrophobicContact CB-CD2 4.14Å; A1403-F1431 HydrophobicContact CB-CE1 4.35Å; A1403-F1431 HydrophobicContact CB-CE2 4.19Å; A1403-F1431 HydrophobicContact CB-CG 4.2Å; A1403-F1431 HydrophobicContact CB-CZ 4.32Å |
| 1404 | L | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -82 | -23.9 | 176.3 | -85.5 | 168.7 | 0 | 0 | 0 | 114.3 | G1400 L1401 A1402 V1407 N1408 F1431 V1432 L1435 F1505 | G1400-L1404 WeakPolarHBondContact O-CB 3.39Å; G1400-L1404 WeakPolarHBondContact O-CG 3.41Å; G1400-L1404 PolarHBondContact O-N 3.44Å; L1401-L1404 CarbonylContact O-C 3.59Å; L1401-L1404 WeakPolarHBondContact O-CA 3.09Å; L1401-L1404 WeakPolarHBondContact O-CB 3.44Å; L1401-L1404 PolarHBondContact O-N 3.17Å; A1402-L1404 VanDerWaalsContact C-N 3.26Å; A1402-L1404 PolarHBondContact O-N 3.34Å; L1404-V1407 CarbonylContact O-C 3.36Å; L1404-N1408 WeakPolarHBondContact O-CA 3.48Å; L1404-N1408 VanDerWaalsContact O-CB 3.3Å; L1404-N1408 WeakPolarHBondContact O-CB 3.27Å; L1404-N1408 PolarHBondContact O-N 3.17Å; L1404-F1431 HydrophobicContact CD2-CB 3.75Å; L1404-F1431 HydrophobicContact CG-CB 3.78Å; L1404-V1432 HydrophobicContact CD2-CB 4.46Å; L1404-V1432 HydrophobicContact CD2-CG2 3.63Å; L1404-L1435 HydrophobicContact CD1-CB 4.12Å; L1404-L1435 HydrophobicContact CD1-CD2 3.57Å; L1404-L1435 HydrophobicContact CD1-CG 4.5Å; L1404-F1505 HydrophobicContact CD1-CD2 4.06Å; L1404-F1505 HydrophobicContact CD1-CE2 4.09Å; L1404-F1505 HydrophobicContact CD2-CE2 4.34Å |
| 1405 | I | 95.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.2 | -54.7 | 169.6 | -68.8 | 162 | 0 | 0 | 0 | 108.6 | H1227 D1230 L1231 F1234 L1401 A1402 V1407 N1408 K1508 I1511 | H1227-I1405 WeakPolarHBondContact CB-O 3.36Å; H1227-I1405 PolarHBondContact CD2-O 3.29Å; H1227-I1405 VanDerWaalsContact CG-O 3.25Å; D1230-I1405 HydrophobicContact CB-CG2 3.51Å; L1231-I1405 HydrophobicContact CB-CG2 4.2Å; F1234-I1405 HydrophobicContact CB-CD1 3.79Å; F1234-I1405 HydrophobicContact CD1-CD1 3.79Å; F1234-I1405 HydrophobicContact CD2-CD1 4.14Å; F1234-I1405 HydrophobicContact CE1-CD1 4.42Å; F1234-I1405 HydrophobicContact CG-CD1 3.62Å; L1401-I1405 HydrophobicContact CD1-CD1 4.44Å; L1401-I1405 HydrophobicContact CD1-CG1 4.47Å; L1401-I1405 HydrophobicContact CG-CD1 4.1Å; L1401-I1405 WeakPolarHBondContact O-CG1 3.36Å; L1401-I1405 PolarHBondContact O-N 3.13Å; A1402-I1405 PolarHBondContact O-N 2.8Å; I1405-V1407 VanDerWaalsContact C-N 3.31Å; I1405-V1407 PolarHBondContact O-N 3.48Å; I1405-N1408 WeakPolarHBondContact O-CB 3.49Å; I1405-N1408 PolarHBondContact O-N 3.15Å; I1405-K1508 HydrophobicContact CG1-CB 3.82Å; I1405-I1511 HydrophobicContact CD1-CD1 3.73Å |
| 1406 | L | 95 | Very high | 85.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.8 | -41.9 | 178.1 | 176.3 | 66.6 | 0 | 0 | 0 | 113.1 | Y1205 A1206 V1209 F1212 L1224 L1231 A1402 | Y1205-L1406 HydrophobicContact CD1-CD2 4.46Å; Y1205-L1406 HydrophobicContact CE1-CD2 4.23Å; A1206-L1406 HydrophobicContact CB-CD1 4.01Å; A1206-L1406 HydrophobicContact CB-CD2 3.59Å; A1206-L1406 HydrophobicContact CB-CG 4.44Å; V1209-L1406 HydrophobicContact CB-CD2 4.2Å; V1209-L1406 HydrophobicContact CG1-CD2 4.4Å; V1209-L1406 HydrophobicContact CG2-CD2 3.89Å; F1212-L1406 HydrophobicContact CD2-CD2 4.11Å; F1212-L1406 HydrophobicContact CD2-CG 4.34Å; F1212-L1406 HydrophobicContact CE2-CD1 4.16Å; F1212-L1406 HydrophobicContact CE2-CD2 4.21Å; F1212-L1406 HydrophobicContact CE2-CG 4.06Å; F1212-L1406 HydrophobicContact CZ-CD1 4.37Å; L1224-L1406 HydrophobicContact CD2-CD1 4.04Å; L1231-L1406 HydrophobicContact CD2-CB 4.47Å; A1402-L1406 PolarHBondContact O-N 3.46Å; A1402-L1406 VanDerWaalsContact O-N 3.09Å |
| 1407 | V | 93.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 59.5 | -179.8 | -165.1 | 0 | 0 | 0 | 0 | 109.8 | F1212 A1403 L1404 I1405 Y1409 V1424 L1427 H1428 F1431 | F1212-V1407 HydrophobicContact CD2-CG2 3.85Å; F1212-V1407 HydrophobicContact CE2-CG2 4.36Å; A1403-V1407 PolarHBondContact O-N 3.33Å; A1403-V1407 VanDerWaalsContact O-N 3.13Å; L1404-V1407 CarbonylContact O-C 3.36Å; I1405-V1407 VanDerWaalsContact C-N 3.31Å; I1405-V1407 PolarHBondContact O-N 3.48Å; V1407-Y1409 PolarHBondContact O-N 2.75Å; V1407-V1424 HydrophobicContact CG1-CG1 4.18Å; V1407-L1427 HydrophobicContact CG1-CB 4.17Å; V1407-L1427 HydrophobicContact CG1-CD2 4.01Å; V1407-L1427 HydrophobicContact CG1-CG 4.05Å; V1407-L1427 HydrophobicContact CG2-CD2 4.09Å; V1407-H1428 HydrophobicContact CG1-CB 4.33Å; V1407-H1428 WeakPolarHBondContact O-CB 3.36Å; V1407-H1428 PolarHBondContact O-ND1 3.28Å; V1407-F1431 HydrophobicContact CB-CD2 4.38Å; V1407-F1431 HydrophobicContact CB-CE2 4.33Å; V1407-F1431 HydrophobicContact CG2-CE2 4.06Å |
| 1408 | N | 89.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | trans | -90.3 | 94.1 | 178.6 | -173.6 | 7.5 | 0 | 0 | 0 | 111.5 | L1404 I1405 K1410 S1411 K1508 | L1404-N1408 WeakPolarHBondContact O-CA 3.48Å; L1404-N1408 VanDerWaalsContact O-CB 3.3Å; L1404-N1408 WeakPolarHBondContact O-CB 3.27Å; L1404-N1408 PolarHBondContact O-N 3.17Å; I1405-N1408 WeakPolarHBondContact O-CB 3.49Å; I1405-N1408 PolarHBondContact O-N 3.15Å; N1408-K1410 PolarHBondContact O-N 2.91Å; N1408-K1410 VanDerWaalsContact O-N 3.17Å; N1408-K1410 PolarHBondContact OD1-N 3.03Å; N1408-S1411 WeakPolarHBondContact CB-OG 3.44Å; N1408-S1411 PolarHBondContact ND2-OG 2.87Å; N1408-S1411 PolarHBondContact O-OG 2.89Å; N1408-K1508 VanDerWaalsContact CG-NZ 3.3Å; N1408-K1508 PolarHBondContact ND2-NZ 2.96Å; N1408-K1508 VanDerWaalsContact ND2-NZ 3.13Å; N1408-K1508 PolarHBondContact OD1-NZ 3.24Å | ||
| 1409 | Y | 87.7 | Confident | 83.1 | Confident | 77 Ų | 77 | 41.3 Ų | 41.3 | 30% | 0.302 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -63.6 | -22.4 | 179.5 | -175.2 | -86.8 | 0 | 0 | 0 | 113.9 | V1407 I1412 L1418 S1421 V1424 Y1425 H1428 | V1407-Y1409 PolarHBondContact O-N 2.75Å; Y1409-I1412 HydrophobicContact CD2-CD1 4.2Å; Y1409-L1418 HydrophobicContact CE2-CD1 4.27Å; Y1409-S1421 VanDerWaalsContact CE2-O 3.32Å; Y1409-S1421 WeakPolarHBondContact CE2-O 3.36Å; Y1409-V1424 HydrophobicContact CD2-CB 4.27Å; Y1409-V1424 HydrophobicContact CD2-CG1 4.15Å; Y1409-Y1425 AromaticContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CE2 4.35Å; Y1409-Y1425 HydrophobicContact CD2-CD2 4.28Å; Y1409-Y1425 HydrophobicContact CD2-CG 4.5Å; Y1409-Y1425 AromaticContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE2-CD2 4.37Å; Y1409-Y1425 AromaticContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CG 4.48Å; Y1409-H1428 PolarHBondContact N-ND1 2.95Å |
| 1410 | K | 80.1 | Confident | 82.7 | Confident | 137 Ų | 137 | 42.9 Ų | 42.9 | 60% | 0.596 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -75.7 | -25.7 | -171.2 | -172.5 | -169.7 | 165.8 | -127.2 | 0 | 113.3 | N1408 I1412 D1509 | N1408-K1410 PolarHBondContact O-N 2.91Å; N1408-K1410 VanDerWaalsContact O-N 3.17Å; N1408-K1410 PolarHBondContact OD1-N 3.03Å; K1410-I1412 VanDerWaalsContact C-N 3.3Å; K1410-D1509 IonicContact NZ-OD1 3.33Å; K1410-D1509 IonicContact NZ-OD2 2.9Å; K1410-D1509 PolarHBondContact NZ-OD2 3.26Å |
| 1411 | S | 75.5 | Confident | 82.3 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -89.1 | 10.4 | -177.7 | 30.1 | 0 | 0 | 0 | 0 | 113.6 | H1227 N1408 | H1227-S1411 PolarHBondContact CE1-OG 3.35Å; H1227-S1411 PolarHBondContact NE2-OG 2.84Å; N1408-S1411 WeakPolarHBondContact CB-OG 3.44Å; N1408-S1411 PolarHBondContact ND2-OG 2.87Å; N1408-S1411 PolarHBondContact O-OG 2.89Å |
| 1412 | I | 74.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | trans | -100.6 | 102.1 | -175.1 | -48 | 178.6 | 0 | 0 | 0 | 108.4 | M1223 L1226 Y1409 K1410 L1418 V1424 | M1223-I1412 HydrophobicContact CE-CD1 3.24Å; M1223-I1412 HydrophobicContact CE-CG1 3.81Å; M1223-I1412 HydrophobicContact SD-CD1 4.09Å; L1226-I1412 HydrophobicContact CD1-CG1 4.17Å; Y1409-I1412 HydrophobicContact CD2-CD1 4.2Å; K1410-I1412 VanDerWaalsContact C-N 3.3Å; I1412-L1418 HydrophobicContact CD1-CD1 3.75Å; I1412-L1418 HydrophobicContact CD1-CD2 4.46Å; I1412-L1418 HydrophobicContact CD1-CG 4.43Å; I1412-L1418 HydrophobicContact CG2-CD1 4.16Å; I1412-L1418 HydrophobicContact CG2-CD2 4.46Å; I1412-L1418 HydrophobicContact CG2-CG 4.01Å; I1412-V1424 HydrophobicContact CD1-CG1 4.07Å | ||
| 1413 | N | 62.6 | Low | 81.6 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | trans | -78.4 | 160.5 | 179.1 | -79 | -6.1 | 0 | 0 | 0 | 112.1 | L1415 T1416 L1546 S1547 D1548 | N1413-L1415 PolarHBondContact O-N 2.94Å; N1413-T1416 PolarHBondContact O-N 3.33Å; N1413-T1416 PolarHBondContact O-OG1 3.42Å; N1413-L1546 PolarHBondContact ND2-O 3.04Å; N1413-S1547 WeakPolarHBondContact ND2-CA 3.3Å; N1413-D1548 PolarHBondContact ND2-N 3.41Å; N1413-D1548 PolarHBondContact ND2-O 3.44Å; N1413-D1548 PolarHBondContact ND2-OXT 2.72Å | ||
| 1414 | Y | 55.3 | Low | 81.4 | Confident | 196 Ų | 196 | 52.7 Ų | 52.7 | 77% | 0.769 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.8 | 178.4 | -67.4 | -76.5 | 0 | 0 | 0 | 114 | ||
| 1415 | L | 54.3 | Low | 81.2 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 59% | 0.592 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.1 | 177 | -60.1 | 175.8 | 0 | 0 | 0 | 113.6 | N1413 P1417 L1546 | N1413-L1415 PolarHBondContact O-N 2.94Å; L1415-P1417 VanDerWaalsContact C-CD 3.48Å; L1415-P1417 WeakPolarHBondContact O-CD 3.1Å; L1415-L1546 HydrophobicContact CD1-CD2 3.99Å |
| 1416 | T | 69.5 | Low | 81.1 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -109.5 | 78.7 | 175.2 | 45 | 0 | 0 | 0 | 0 | 110.4 | N1413 L1418 I1543 | N1413-T1416 PolarHBondContact O-N 3.33Å; N1413-T1416 PolarHBondContact O-OG1 3.42Å; T1416-L1418 PolarHBondContact O-N 3.32Å; T1416-I1543 HydrophobicContact CG2-CG2 4.36Å |
| 1417 | P | 70.2 | Confident | 81.1 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | trans | -69.6 | 106.5 | -169.4 | 28.3 | -36.4 | 0 | 0 | 0 | 112.8 | L1415 | L1415-P1417 VanDerWaalsContact C-CD 3.48Å; L1415-P1417 WeakPolarHBondContact O-CD 3.1Å | ||
| 1418 | L | 83 | Confident | 81.1 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | trans | -64.6 | 138 | 165.4 | -61.3 | 178 | 0 | 0 | 0 | 111.3 | D1219 I1222 M1223 Y1409 I1412 T1416 V1424 | D1219-L1418 HydrophobicContact CB-CD2 4.25Å; I1222-L1418 HydrophobicContact CG2-CD2 4.1Å; M1223-L1418 HydrophobicContact CE-CD2 4.21Å; Y1409-L1418 HydrophobicContact CE2-CD1 4.27Å; I1412-L1418 HydrophobicContact CD1-CD1 3.75Å; I1412-L1418 HydrophobicContact CD1-CD2 4.46Å; I1412-L1418 HydrophobicContact CD1-CG 4.43Å; I1412-L1418 HydrophobicContact CG2-CD1 4.16Å; I1412-L1418 HydrophobicContact CG2-CD2 4.46Å; I1412-L1418 HydrophobicContact CG2-CG 4.01Å; T1416-L1418 PolarHBondContact O-N 3.32Å; L1418-V1424 HydrophobicContact CD1-CB 3.91Å; L1418-V1424 HydrophobicContact CD1-CG1 4.19Å; L1418-V1424 HydrophobicContact CD1-CG2 3.84Å; L1418-V1424 HydrophobicContact CD2-CG2 4.35Å | ||
| 1419 | T | 84.3 | Confident | 81.3 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -43 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | S1216 N1218 D1219 | S1216-T1419 PolarHBondContact OG-OG1 3.29Å; N1218-T1419 HydrophobicContact CB-CG2 4.34Å; D1219-T1419 WeakPolarHBondContact OD1-CB 3.23Å; D1219-T1419 PolarHBondContact OD1-N 2.85Å; D1219-T1419 PolarHBondContact OD1-OG1 3.39Å; D1219-T1419 PolarHBondContact OD2-N 3.03Å; D1219-T1419 PolarHBondContact OD2-OG1 2.88Å |
| 1420 | N | 85.6 | Confident | 81.6 | Confident | 73 Ų | 73 | 60 Ų | 60 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 57.1 | -174.6 | -79.5 | -5.3 | 0 | 0 | 0 | 111.8 | D1219 S1422 E1423 V1424 | D1219-N1420 PolarHBondContact OD2-N 3.15Å; N1420-S1422 PolarHBondContact O-N 2.87Å; N1420-E1423 HydrophobicContact CB-CB 4.21Å; N1420-E1423 HydrophobicContact CB-CG 4.02Å; N1420-E1423 WeakPolarHBondContact CB-OE2 3.36Å; N1420-E1423 PolarHBondContact ND2-OE2 2.87Å; N1420-E1423 WeakPolarHBondContact O-CB 3.42Å; N1420-E1423 PolarHBondContact O-N 2.98Å; N1420-V1424 PolarHBondContact O-N 3.48Å |
| 1421 | S | 87.8 | Confident | 82.4 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -49.2 | -34.8 | -179.5 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | Y1409 E1423 Y1425 | Y1409-S1421 VanDerWaalsContact CE2-O 3.32Å; Y1409-S1421 WeakPolarHBondContact CE2-O 3.36Å; S1421-E1423 VanDerWaalsContact C-N 3.29Å; S1421-E1423 PolarHBondContact O-N 3Å; S1421-Y1425 WeakPolarHBondContact O-CB 3.38Å; S1421-Y1425 PolarHBondContact O-N 3.29Å |
| 1422 | S | 87.7 | Confident | 83.3 | Confident | 77 Ų | 77 | 54 Ų | 54 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.8 | -25.8 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | N1420 S1426 | N1420-S1422 PolarHBondContact O-N 2.87Å; S1422-S1426 VanDerWaalsContact O-CB 3.29Å; S1422-S1426 WeakPolarHBondContact O-CB 3.39Å; S1422-S1426 PolarHBondContact O-N 3.27Å; S1422-S1426 PolarHBondContact O-OG 2.78Å |
| 1423 | E | 90.3 | Very high | 84.1 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.9 | -46.8 | 178 | -58.1 | -166.9 | 130.6 | 0 | 0 | 110.7 | L1215 N1420 S1421 Y1425 S1426 L1427 | L1215-E1423 HydrophobicContact CD2-CB 3.78Å; N1420-E1423 HydrophobicContact CB-CB 4.21Å; N1420-E1423 HydrophobicContact CB-CG 4.02Å; N1420-E1423 WeakPolarHBondContact CB-OE2 3.36Å; N1420-E1423 PolarHBondContact ND2-OE2 2.87Å; N1420-E1423 WeakPolarHBondContact O-CB 3.42Å; N1420-E1423 PolarHBondContact O-N 2.98Å; S1421-E1423 VanDerWaalsContact C-N 3.29Å; S1421-E1423 PolarHBondContact O-N 3Å; E1423-Y1425 VanDerWaalsContact C-N 3.35Å; E1423-Y1425 PolarHBondContact O-N 3.26Å; E1423-S1426 WeakPolarHBondContact O-CB 3.48Å; E1423-S1426 PolarHBondContact O-N 3.42Å; E1423-L1427 PolarHBondContact O-N 3.24Å |
| 1424 | V | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 172.7 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | L1215 D1219 M1223 V1407 Y1409 I1412 L1418 N1420 S1426 L1427 H1428 | L1215-V1424 HydrophobicContact CD1-CG2 4.14Å; L1215-V1424 HydrophobicContact CD2-CG2 3.96Å; D1219-V1424 HydrophobicContact CB-CG2 4.24Å; M1223-V1424 HydrophobicContact CE-CG1 4.47Å; M1223-V1424 HydrophobicContact SD-CG1 3.86Å; V1407-V1424 HydrophobicContact CG1-CG1 4.18Å; Y1409-V1424 HydrophobicContact CD2-CB 4.27Å; Y1409-V1424 HydrophobicContact CD2-CG1 4.15Å; I1412-V1424 HydrophobicContact CD1-CG1 4.07Å; L1418-V1424 HydrophobicContact CD1-CB 3.91Å; L1418-V1424 HydrophobicContact CD1-CG1 4.19Å; L1418-V1424 HydrophobicContact CD1-CG2 3.84Å; L1418-V1424 HydrophobicContact CD2-CG2 4.35Å; N1420-V1424 PolarHBondContact O-N 3.48Å; V1424-S1426 VanDerWaalsContact C-N 3.29Å; V1424-S1426 PolarHBondContact O-N 3.23Å; V1424-L1427 PolarHBondContact O-N 2.96Å; V1424-H1428 WeakPolarHBondContact O-CB 3.16Å; V1424-H1428 PolarHBondContact O-N 3.07Å |
| 1425 | Y | 92.6 | Very high | 87.5 | Confident | 64 Ų | 64 | 43.1 Ų | 43.1 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 173.7 | -178.5 | -81.1 | 0 | 0 | 0 | 111.8 | R1056 Y1409 S1421 E1423 H1429 | R1056-Y1425 VanDerWaalsContact CZ-CE1 3.41Å; Y1409-Y1425 AromaticContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CE2 4.35Å; Y1409-Y1425 HydrophobicContact CD2-CD2 4.28Å; Y1409-Y1425 HydrophobicContact CD2-CG 4.5Å; Y1409-Y1425 AromaticContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE2-CD2 4.37Å; Y1409-Y1425 AromaticContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CG 4.48Å; S1421-Y1425 WeakPolarHBondContact O-CB 3.38Å; S1421-Y1425 PolarHBondContact O-N 3.29Å; E1423-Y1425 VanDerWaalsContact C-N 3.35Å; E1423-Y1425 PolarHBondContact O-N 3.26Å; Y1425-H1429 HydrophobicContact CD1-CB 4.22Å; Y1425-H1429 HydrophobicContact CE1-CB 3.83Å; Y1425-H1429 AromaticContact CE1-CD2 3.86Å; Y1425-H1429 AromaticContact CE1-CG 3.89Å; Y1425-H1429 WeakPolarHBondContact O-CB 3.45Å; Y1425-H1429 PolarHBondContact O-N 2.68Å |
| 1426 | S | 92.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | -176.6 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | R1056 C1057 S1422 E1423 V1424 R1430 | R1056-S1426 WeakPolarHBondContact CB-OG 3.39Å; R1056-S1426 WeakPolarHBondContact CD-OG 3.29Å; R1056-S1426 VanDerWaalsContact CG-OG 3.27Å; R1056-S1426 WeakPolarHBondContact CG-OG 3.24Å; C1057-S1426 WeakPolarHBondContact SG-CB 3.2Å; C1057-S1426 PolarHBondContact SG-OG 3.34Å; S1422-S1426 VanDerWaalsContact O-CB 3.29Å; S1422-S1426 WeakPolarHBondContact O-CB 3.39Å; S1422-S1426 PolarHBondContact O-N 3.27Å; S1422-S1426 PolarHBondContact O-OG 2.78Å; E1423-S1426 WeakPolarHBondContact O-CB 3.48Å; E1423-S1426 PolarHBondContact O-N 3.42Å; V1424-S1426 VanDerWaalsContact C-N 3.29Å; V1424-S1426 PolarHBondContact O-N 3.23Å; S1426-R1430 WeakPolarHBondContact O-CB 3.44Å; S1426-R1430 PolarHBondContact O-N 3.03Å; S1426-R1430 VanDerWaalsContact O-N 3.1Å |
| 1427 | L | 94.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.2 | -48.1 | 175.1 | -173.8 | 60 | 0 | 0 | 0 | 111.2 | F1212 L1215 V1407 E1423 V1424 H1429 R1430 F1431 | F1212-L1427 HydrophobicContact CB-CD2 4.49Å; L1215-L1427 HydrophobicContact CD1-CD2 4.01Å; L1215-L1427 HydrophobicContact CG-CD2 4.32Å; V1407-L1427 HydrophobicContact CG1-CB 4.17Å; V1407-L1427 HydrophobicContact CG1-CD2 4.01Å; V1407-L1427 HydrophobicContact CG1-CG 4.05Å; V1407-L1427 HydrophobicContact CG2-CD2 4.09Å; E1423-L1427 PolarHBondContact O-N 3.24Å; V1424-L1427 PolarHBondContact O-N 2.96Å; L1427-H1429 PolarHBondContact O-N 3.34Å; L1427-R1430 WeakPolarHBondContact O-CB 3.39Å; L1427-R1430 PolarHBondContact O-N 2.9Å; L1427-R1430 VanDerWaalsContact O-N 3.16Å; L1427-F1431 HydrophobicContact CD1-CD2 4.5Å; L1427-F1431 HydrophobicContact CD1-CE2 3.71Å; L1427-F1431 HydrophobicContact CD1-CZ 3.71Å; L1427-F1431 HydrophobicContact CD2-CE2 4.29Å; L1427-F1431 HydrophobicContact CG-CD2 4.32Å; L1427-F1431 HydrophobicContact CG-CE2 3.65Å; L1427-F1431 HydrophobicContact CG-CZ 4.18Å; L1427-F1431 WeakPolarHBondContact O-CD2 3.4Å; L1427-F1431 PolarHBondContact O-N 2.97Å; L1427-F1431 VanDerWaalsContact O-N 3.13Å |
| 1428 | H | 94.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -51.8 | -55.7 | 172.2 | 176.8 | 76.3 | 0 | 0 | 0 | 111.4 | V1407 Y1409 V1424 R1430 F1431 V1432 | V1407-H1428 HydrophobicContact CG1-CB 4.33Å; V1407-H1428 WeakPolarHBondContact O-CB 3.36Å; V1407-H1428 PolarHBondContact O-ND1 3.28Å; Y1409-H1428 PolarHBondContact N-ND1 2.95Å; V1424-H1428 WeakPolarHBondContact O-CB 3.16Å; V1424-H1428 PolarHBondContact O-N 3.07Å; H1428-R1430 PolarHBondContact O-N 3.39Å; H1428-F1431 PolarHBondContact O-N 3.27Å; H1428-V1432 WeakPolarHBondContact O-CG2 3.23Å; H1428-V1432 PolarHBondContact O-N 2.96Å |
| 1429 | H | 93.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -29.4 | -179 | -175 | -106.4 | 0 | 0 | 0 | 113.4 | S1053 Y1425 L1427 E1433 | S1053-H1429 WeakPolarHBondContact CB-CE1 3.3Å; S1053-H1429 WeakPolarHBondContact CB-ND1 3.5Å; S1053-H1429 PolarHBondContact O-ND1 2.97Å; S1053-H1429 PolarHBondContact OG-CE1 3.21Å; S1053-H1429 PolarHBondContact OG-NE2 3.33Å; Y1425-H1429 HydrophobicContact CD1-CB 4.22Å; Y1425-H1429 HydrophobicContact CE1-CB 3.83Å; Y1425-H1429 AromaticContact CE1-CD2 3.86Å; Y1425-H1429 AromaticContact CE1-CG 3.89Å; Y1425-H1429 WeakPolarHBondContact O-CB 3.45Å; Y1425-H1429 PolarHBondContact O-N 2.68Å; L1427-H1429 PolarHBondContact O-N 3.34Å; H1429-E1433 PolarHBondContact O-N 2.96Å |
| 1430 | R | 94.5 | Very high | 91.6 | Very high | 96 Ų | 96 | 37.5 Ų | 37.5 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.4 | -38.4 | 172.9 | 169.6 | 177.9 | 169.4 | 153.1 | -6.1 | 112.3 | L1127 S1426 L1427 H1428 M1434 | L1127-R1430 HydrophobicContact CD2-CG 3.89Å; S1426-R1430 WeakPolarHBondContact O-CB 3.44Å; S1426-R1430 PolarHBondContact O-N 3.03Å; S1426-R1430 VanDerWaalsContact O-N 3.1Å; L1427-R1430 WeakPolarHBondContact O-CB 3.39Å; L1427-R1430 PolarHBondContact O-N 2.9Å; L1427-R1430 VanDerWaalsContact O-N 3.16Å; H1428-R1430 PolarHBondContact O-N 3.39Å; R1430-M1434 WeakPolarHBondContact O-CB 3.4Å; R1430-M1434 PolarHBondContact O-N 3.4Å |
| 1431 | F | 96 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.5 | -39.5 | 173.6 | -61.8 | -47.7 | 0 | 0 | 0 | 112.3 | L1127 L1131 V1209 A1403 L1404 V1407 L1427 H1428 E1433 M1434 L1435 | L1127-F1431 HydrophobicContact CD1-CE1 4.38Å; L1127-F1431 HydrophobicContact CD2-CD1 4.19Å; L1127-F1431 HydrophobicContact CD2-CE1 4.28Å; L1127-F1431 HydrophobicContact CG-CE1 4.45Å; L1131-F1431 HydrophobicContact CD1-CD1 4.09Å; L1131-F1431 HydrophobicContact CD1-CE1 4.07Å; L1131-F1431 HydrophobicContact CD2-CE1 4.42Å; V1209-F1431 HydrophobicContact CG1-CE2 3.91Å; V1209-F1431 HydrophobicContact CG1-CZ 3.54Å; A1403-F1431 HydrophobicContact CB-CD1 4.28Å; A1403-F1431 HydrophobicContact CB-CD2 4.14Å; A1403-F1431 HydrophobicContact CB-CE1 4.35Å; A1403-F1431 HydrophobicContact CB-CE2 4.19Å; A1403-F1431 HydrophobicContact CB-CG 4.2Å; A1403-F1431 HydrophobicContact CB-CZ 4.32Å; L1404-F1431 HydrophobicContact CD2-CB 3.75Å; L1404-F1431 HydrophobicContact CG-CB 3.78Å; V1407-F1431 HydrophobicContact CB-CD2 4.38Å; V1407-F1431 HydrophobicContact CB-CE2 4.33Å; V1407-F1431 HydrophobicContact CG2-CE2 4.06Å; L1427-F1431 HydrophobicContact CD1-CD2 4.5Å; L1427-F1431 HydrophobicContact CD1-CE2 3.71Å; L1427-F1431 HydrophobicContact CD1-CZ 3.71Å; L1427-F1431 HydrophobicContact CD2-CE2 4.29Å; L1427-F1431 HydrophobicContact CG-CD2 4.32Å; L1427-F1431 HydrophobicContact CG-CE2 3.65Å; L1427-F1431 HydrophobicContact CG-CZ 4.18Å; L1427-F1431 WeakPolarHBondContact O-CD2 3.4Å; L1427-F1431 PolarHBondContact O-N 2.97Å; L1427-F1431 VanDerWaalsContact O-N 3.13Å; H1428-F1431 PolarHBondContact O-N 3.27Å; F1431-E1433 VanDerWaalsContact C-N 3.28Å; F1431-E1433 PolarHBondContact O-N 3.43Å; F1431-M1434 HydrophobicContact CD1-CE 4.3Å; F1431-M1434 HydrophobicContact CD1-SD 4.38Å; F1431-M1434 PolarHBondContact O-N 3.12Å; F1431-L1435 PolarHBondContact O-N 3.3Å |
| 1432 | V | 94.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.6 | -49.3 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L1404 H1428 K1436 F1501 F1505 | L1404-V1432 HydrophobicContact CD2-CB 4.46Å; L1404-V1432 HydrophobicContact CD2-CG2 3.63Å; H1428-V1432 WeakPolarHBondContact O-CG2 3.23Å; H1428-V1432 PolarHBondContact O-N 2.96Å; V1432-K1436 WeakPolarHBondContact O-CB 3.12Å; V1432-K1436 PolarHBondContact O-N 2.64Å; V1432-F1501 HydrophobicContact CG1-CZ 4.27Å; V1432-F1505 HydrophobicContact CG1-CE2 4.44Å; V1432-F1505 HydrophobicContact CG2-CE2 3.88Å; V1432-F1505 HydrophobicContact CG2-CZ 4.18Å |
| 1433 | E | 92.4 | Very high | 87.5 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.9 | -14.2 | -176.3 | -74.7 | -125.9 | 143.1 | 0 | 0 | 115.2 | S1053 H1429 F1431 K1436 S1437 | S1053-E1433 VanDerWaalsContact CB-CG 3.41Å; S1053-E1433 VanDerWaalsContact CB-OE2 3.25Å; S1053-E1433 WeakPolarHBondContact CB-OE2 3.43Å; S1053-E1433 PolarHBondContact N-OE2 2.77Å; S1053-E1433 WeakPolarHBondContact OG-CG 3.35Å; S1053-E1433 PolarHBondContact OG-OE2 2.79Å; S1053-E1433 VanDerWaalsContact OG-OE2 3.07Å; H1429-E1433 PolarHBondContact O-N 2.96Å; F1431-E1433 VanDerWaalsContact C-N 3.28Å; F1431-E1433 PolarHBondContact O-N 3.43Å; E1433-K1436 HydrophobicContact CG-CD 4.3Å; E1433-K1436 WeakPolarHBondContact OE1-CE 3.37Å; E1433-K1436 IonicContact OE1-NZ 3.38Å; E1433-K1436 PolarHBondContact OE1-NZ 2.84Å; E1433-S1437 WeakPolarHBondContact O-CB 3.41Å; E1433-S1437 PolarHBondContact O-N 3.18Å |
| 1434 | M | 94.7 | Very high | 84.9 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -54.4 | 161.6 | 172 | -155.2 | 74.3 | 0 | 0 | 110 | L1127 L1128 L1131 R1430 F1431 K1436 S1437 H1438 | L1127-M1434 HydrophobicContact CB-CG 4.37Å; L1127-M1434 HydrophobicContact CB-SD 3.93Å; L1127-M1434 HydrophobicContact CD2-CB 4.15Å; L1127-M1434 HydrophobicContact CD2-CG 4.18Å; L1127-M1434 HydrophobicContact CD2-SD 3.69Å; L1127-M1434 HydrophobicContact CG-CG 4.45Å; L1127-M1434 HydrophobicContact CG-SD 3.58Å; L1127-M1434 VanDerWaalsContact CG-SD 3.58Å; L1128-M1434 HydrophobicContact CD2-CE 3.79Å; L1128-M1434 HydrophobicContact CD2-CG 3.92Å; L1128-M1434 HydrophobicContact CD2-SD 3.74Å; L1128-M1434 HydrophobicContact CG-CG 3.83Å; L1128-M1434 HydrophobicContact CG-SD 3.95Å; L1131-M1434 HydrophobicContact CD1-CE 3.52Å; L1131-M1434 HydrophobicContact CD1-SD 3.64Å; R1430-M1434 WeakPolarHBondContact O-CB 3.4Å; R1430-M1434 PolarHBondContact O-N 3.4Å; F1431-M1434 HydrophobicContact CD1-CE 4.3Å; F1431-M1434 HydrophobicContact CD1-SD 4.38Å; F1431-M1434 PolarHBondContact O-N 3.12Å; M1434-K1436 VanDerWaalsContact C-N 3.34Å; M1434-K1436 PolarHBondContact O-N 3.03Å; M1434-S1437 PolarHBondContact O-N 3.42Å; M1434-H1438 PolarHBondContact O-N 3.03Å |
| 1435 | L | 93.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 179 | 179.6 | 63.1 | 0 | 0 | 0 | 111.3 | A1397 L1404 F1431 H1438 C1439 F1501 V1504 | A1397-L1435 HydrophobicContact CB-CD1 4.16Å; L1404-L1435 HydrophobicContact CD1-CB 4.12Å; L1404-L1435 HydrophobicContact CD1-CD2 3.57Å; L1404-L1435 HydrophobicContact CD1-CG 4.5Å; F1431-L1435 PolarHBondContact O-N 3.3Å; L1435-H1438 WeakPolarHBondContact O-CB 3.48Å; L1435-H1438 PolarHBondContact O-N 3.17Å; L1435-H1438 VanDerWaalsContact O-N 3.16Å; L1435-C1439 WeakPolarHBondContact O-CB 3.36Å; L1435-C1439 PolarHBondContact O-N 3.2Å; L1435-C1439 PolarHBondContact O-SG 3.27Å; L1435-C1439 VanDerWaalsContact O-SG 3.36Å; L1435-F1501 HydrophobicContact CB-CE2 4.3Å; L1435-F1501 HydrophobicContact CD2-CE2 4.16Å; L1435-F1501 HydrophobicContact CG-CD2 4.19Å; L1435-F1501 HydrophobicContact CG-CE2 4.03Å; L1435-V1504 HydrophobicContact CD1-CG1 4.48Å; L1435-V1504 HydrophobicContact CD2-CG1 4.21Å |
| 1436 | K | 92.7 | Very high | 79.5 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 23% | 0.226 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.4 | -173.2 | 178.2 | 169.2 | -169.4 | 0 | 113.4 | V1432 E1433 M1434 H1438 C1440 F1501 | V1432-K1436 WeakPolarHBondContact O-CB 3.12Å; V1432-K1436 PolarHBondContact O-N 2.64Å; E1433-K1436 HydrophobicContact CG-CD 4.3Å; E1433-K1436 WeakPolarHBondContact OE1-CE 3.37Å; E1433-K1436 IonicContact OE1-NZ 3.38Å; E1433-K1436 PolarHBondContact OE1-NZ 2.84Å; M1434-K1436 VanDerWaalsContact C-N 3.34Å; M1434-K1436 PolarHBondContact O-N 3.03Å; K1436-H1438 PolarHBondContact O-N 3.36Å; K1436-C1440 WeakPolarHBondContact O-CB 3.44Å; K1436-C1440 PolarHBondContact O-N 2.99Å; K1436-C1440 PolarHBondContact O-SG 3.15Å; K1436-C1440 VanDerWaalsContact O-SG 3.33Å; K1436-F1501 HydrophobicContact CB-CD1 4.29Å; K1436-F1501 HydrophobicContact CB-CD2 3.75Å; K1436-F1501 HydrophobicContact CB-CE1 4.11Å; K1436-F1501 HydrophobicContact CB-CE2 3.54Å; K1436-F1501 HydrophobicContact CB-CG 4.12Å; K1436-F1501 HydrophobicContact CB-CZ 3.74Å; K1436-F1501 HydrophobicContact CD-CD1 4.36Å; K1436-F1501 HydrophobicContact CD-CE1 3.98Å; K1436-F1501 HydrophobicContact CD-CZ 4.2Å; K1436-F1501 HydrophobicContact CG-CD1 3.92Å; K1436-F1501 HydrophobicContact CG-CD2 4.21Å; K1436-F1501 HydrophobicContact CG-CE1 3.95Å; K1436-F1501 HydrophobicContact CG-CE2 4.23Å; K1436-F1501 HydrophobicContact CG-CG 4.05Å; K1436-F1501 HydrophobicContact CG-CZ 4.11Å |
| 1437 | S | 89.5 | Confident | 76.4 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -31.7 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | E1433 M1434 S1441 | E1433-S1437 WeakPolarHBondContact O-CB 3.41Å; E1433-S1437 PolarHBondContact O-N 3.18Å; M1434-S1437 PolarHBondContact O-N 3.42Å; S1437-S1441 VanDerWaalsContact O-CB 3.3Å; S1437-S1441 WeakPolarHBondContact O-CB 3.13Å; S1437-S1441 PolarHBondContact O-N 2.7Å; S1437-S1441 PolarHBondContact O-OG 3.27Å |
| 1438 | H | 90.7 | Very high | 73.1 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.4 | -60.5 | 177.2 | -176.4 | 68.2 | 0 | 0 | 0 | 111.8 | L1128 D1394 N1396 M1434 L1435 K1436 C1440 S1441 S1442 | L1128-H1438 HydrophobicContact CD1-CB 3.99Å; D1394-H1438 VanDerWaalsContact CG-NE2 3.3Å; D1394-H1438 IonicContact OD1-CD2 3.09Å; D1394-H1438 IonicContact OD1-CE1 3.85Å; D1394-H1438 IonicContact OD1-NE2 2.78Å; D1394-H1438 PolarHBondContact OD1-NE2 2.73Å; D1394-H1438 IonicContact OD2-CD2 2.78Å; D1394-H1438 IonicContact OD2-NE2 3.95Å; D1394-H1438 PolarHBondContact OD2-NE2 2.77Å; D1394-H1438 VanDerWaalsContact OD2-NE2 3.17Å; N1396-H1438 WeakPolarHBondContact CB-NE2 3.34Å; M1434-H1438 PolarHBondContact O-N 3.03Å; L1435-H1438 WeakPolarHBondContact O-CB 3.48Å; L1435-H1438 PolarHBondContact O-N 3.17Å; L1435-H1438 VanDerWaalsContact O-N 3.16Å; K1436-H1438 PolarHBondContact O-N 3.36Å; H1438-C1440 PolarHBondContact O-N 3.18Å; H1438-C1440 VanDerWaalsContact O-N 3.12Å; H1438-S1441 WeakPolarHBondContact O-CA 3.22Å; H1438-S1441 PolarHBondContact O-N 3.47Å; H1438-S1442 PolarHBondContact O-N 3.18Å; H1438-S1442 PolarHBondContact O-OG 2.73Å |
| 1439 | C | 89.4 | Confident | 69.9 | Low | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.9 | -29.2 | 179.9 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | L1435 Y1500 F1501 | L1435-C1439 WeakPolarHBondContact O-CB 3.36Å; L1435-C1439 PolarHBondContact O-N 3.2Å; L1435-C1439 PolarHBondContact O-SG 3.27Å; L1435-C1439 VanDerWaalsContact O-SG 3.36Å; C1439-Y1500 HydrophobicContact CB-CD1 3.73Å; C1439-Y1500 HydrophobicContact CB-CE1 3.94Å; C1439-F1501 HydrophobicContact CB-CB 3.72Å; C1439-F1501 HydrophobicContact CB-CD2 4.24Å; C1439-F1501 HydrophobicContact CB-CG 4.46Å |
| 1440 | C | 84.3 | Confident | 66.6 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -87.7 | -4.1 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 114.7 | K1436 H1438 | K1436-C1440 WeakPolarHBondContact O-CB 3.44Å; K1436-C1440 PolarHBondContact O-N 2.99Å; K1436-C1440 PolarHBondContact O-SG 3.15Å; K1436-C1440 VanDerWaalsContact O-SG 3.33Å; H1438-C1440 PolarHBondContact O-N 3.18Å; H1438-C1440 VanDerWaalsContact O-N 3.12Å |
| 1441 | S | 73.5 | Confident | 63.3 | Low | 62 Ų | 62 | 68.4 Ų | 68.4 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -102.3 | -30.5 | 172.9 | -81.2 | 0 | 0 | 0 | 0 | 113 | S1437 H1438 T1443 Q1444 | S1437-S1441 VanDerWaalsContact O-CB 3.3Å; S1437-S1441 WeakPolarHBondContact O-CB 3.13Å; S1437-S1441 PolarHBondContact O-N 2.7Å; S1437-S1441 PolarHBondContact O-OG 3.27Å; H1438-S1441 WeakPolarHBondContact O-CA 3.22Å; H1438-S1441 PolarHBondContact O-N 3.47Å; S1441-T1443 PolarHBondContact O-N 2.77Å; S1441-T1443 VanDerWaalsContact O-N 3.15Å; S1441-Q1444 PolarHBondContact O-N 3.1Å |
| 1442 | S | 55.7 | Low | 59.9 | Low | 16 Ų | 16 | 75.4 Ų | 75.4 | 11% | 0.112 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -53.6 | -34.7 | 176 | -57 | 0 | 0 | 0 | 0 | 112.6 | D1394 H1438 Q1444 H1445 | D1394-S1442 PolarHBondContact OD2-OG 3.03Å; H1438-S1442 PolarHBondContact O-N 3.18Å; H1438-S1442 PolarHBondContact O-OG 2.73Å; S1442-Q1444 PolarHBondContact O-N 3.14Å; S1442-H1445 PolarHBondContact O-N 2.76Å |
| 1443 | T | 46.4 | Very low | 56.7 | Low | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.6 | -5.5 | 178 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | S1441 R1495 | S1441-T1443 PolarHBondContact O-N 2.77Å; S1441-T1443 VanDerWaalsContact O-N 3.15Å; T1443-R1495 WeakPolarHBondContact CG2-O 3.17Å |
| 1444 | Q | 35.2 | Very low | 53.5 | Low | 149 Ų | 149 | 87 Ų | 87 | 70% | 0.696 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -107.6 | -15.8 | 177.3 | -63.2 | -161.8 | -22.5 | 0 | 0 | 114.1 | S1441 S1442 | S1441-Q1444 PolarHBondContact O-N 3.1Å; S1442-Q1444 PolarHBondContact O-N 3.14Å |
| 1445 | H | 35.3 | Very low | 50.2 | Low | 140 Ų | 140 | 92.9 Ų | 92.9 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -95.9 | -14.5 | -171.7 | -109.6 | -75.8 | 0 | 0 | 0 | 115.6 | S1442 | S1442-H1445 PolarHBondContact O-N 2.76Å |
| 1446 | I | 35.8 | Very low | 47.1 | Very low | 82 Ų | 82 | 99.9 Ų | 99.9 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -75.1 | -24.6 | -179.3 | -62.5 | 175.2 | 0 | 0 | 0 | 112.1 | L1448 | I1446-L1448 VanDerWaalsContact C-N 3.26Å; I1446-L1448 PolarHBondContact O-N 2.82Å |
| 1447 | N | 27.4 | Very low | 43.9 | Very low | 143 Ų | 143 | 104.3 Ų | 104.3 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -82.5 | 13.9 | 179.7 | -76.2 | -30.1 | 0 | 0 | 0 | 114.8 | ||
| 1448 | L | 26.2 | Very low | 41 | Very low | 141 Ų | 141 | 108.6 Ų | 108.6 | 74% | 0.738 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -137.2 | 18.4 | -173.1 | -93.9 | 167.1 | 0 | 0 | 0 | 115.1 | I1446 | I1446-L1448 VanDerWaalsContact C-N 3.26Å; I1446-L1448 PolarHBondContact O-N 2.82Å |
| 1449 | T | 25.6 | Very low | 37.9 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 69% | 0.693 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -134.2 | 31.5 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1450 | T | 25.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | trans | -136.2 | 68 | 174.5 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1451 | N | 24.4 | Very low | 32.1 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -174.2 | 78 | 160.9 | -102 | -18.9 | 0 | 0 | 0 | 110.7 | ||
| 1452 | T | 25 | Very low | 29.8 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 90% | 0.896 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 170.7 | 70 | 150.5 | 27.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1453 | Q | 26.2 | Very low | 28.3 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 93% | 0.93 | 71% | 0.713 | S | S | * | * | trans | -168 | 93 | 150.3 | -115 | 174.7 | 13.4 | 0 | 0 | 111 | ||||
| 1454 | S | 26.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -160.7 | 65.9 | 170.7 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1455 | S | 25.3 | Very low | 26.8 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -130.3 | 121.3 | 141.4 | 52.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1456 | L | 27.4 | Very low | 26.4 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -128.8 | 141.5 | -169.1 | -101.4 | 173.9 | 0 | 0 | 0 | 108.9 | ||||
| 1457 | L | 27.1 | Very low | 25.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 68.6 | 161.1 | 161.2 | -56.3 | 163.4 | 0 | 0 | 0 | 114.8 | ||||
| 1458 | L | 27.2 | Very low | 25.8 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -142.7 | 168.1 | 0.5 | -135.5 | 147.7 | 0 | 0 | 0 | 110.5 | ||||
| 1459 | D | 25.5 | Very low | 25.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -53.1 | 165.2 | 173.6 | -67.6 | -75.2 | 0 | 0 | 0 | 116.1 | ||||
| 1460 | S | 25.6 | Very low | 25.7 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 167 | -10.1 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1461 | T | 26.5 | Very low | 25.7 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | 65.3 | 123.4 | 146.6 | 42.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1462 | H | 25.9 | Very low | 25.8 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 87.2 | 116.4 | 140.8 | -78.2 | -64.5 | 0 | 0 | 0 | 122.7 | ||||
| 1463 | T | 24.2 | Very low | 26 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | 75.7 | 108.9 | 142.4 | 44.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1464 | T | 24.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 68.5 | 106.5 | 136.4 | 55.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1465 | N | 25.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 65.9 | 98.2 | 130.1 | -58.8 | -7.2 | 0 | 0 | 0 | 120.6 | ||||
| 1466 | N | 25.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | 72.2 | 157.6 | 132.3 | -58.9 | -17.9 | 0 | 0 | 0 | 120.7 | ||||
| 1467 | I | 26.5 | Very low | 26.7 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 85.3 | 82.4 | 165.5 | -50 | -179.6 | 0 | 0 | 0 | 116.7 | ||||
| 1468 | I | 24.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | 55.8 | 122.1 | 114.5 | -60.7 | 159.8 | 0 | 0 | 0 | 119.2 | |||||
| 1469 | S | 24.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 73.3 | 155.3 | 151.1 | 80.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1470 | S | 25 | Very low | 26.9 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | cis | -175.4 | 177.6 | -22.8 | 55.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1471 | I | 25.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | 84.7 | 108.8 | 146.6 | -77.7 | 165.5 | 0 | 0 | 0 | 120.5 | ||||
| 1472 | H | 27.6 | Very low | 27.1 | Very low | 149 Ų | 149 | 140 Ų | 140 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | trans | 79.8 | 120.6 | 134.8 | -79.6 | -125.9 | 0 | 0 | 0 | 125.2 | ||||
| 1473 | N | 28.9 | Very low | 27.3 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | 70.3 | 147.7 | 124.6 | -68.1 | 8.2 | 0 | 0 | 0 | 122.1 | |||||
| 1474 | N | 28.5 | Very low | 27.7 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -161.8 | -167.3 | -26.6 | -138.1 | -9.4 | 0 | 0 | 0 | 109.2 | ||||
| 1475 | P | 34.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | -134 | 177.1 | -126 | 44.9 | -26.1 | 0 | 0 | 0 | 119.7 | |||||
| 1476 | S | 27.6 | Very low | 27.9 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 78.4 | 154.6 | 157.2 | -53.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1477 | R | 28.4 | Very low | 28 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | cis | -142.6 | 145.2 | 19.6 | -68.1 | 174.8 | 173.2 | 176.4 | 2.1 | 116.1 | N1315 | N1315-R1477 PolarHBondContact OD1-NH1 2.9Š| ||
| 1478 | K | 27.6 | Very low | 28.1 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | 20.8 | 134.3 | 141.6 | -59.7 | -175.5 | 176.5 | -175 | 0 | 123 | ||||
| 1479 | I | 30.9 | Very low | 28.3 | Very low | 167 Ų | 167 | 139 Ų | 139 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | -137.2 | 145.3 | 125.4 | -65.8 | -172.6 | 0 | 0 | 0 | 108.8 | |||||
| 1480 | N | 27.1 | Very low | 28.7 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | trans | -122.6 | 148.3 | 171.1 | -74.8 | 12.5 | 0 | 0 | 0 | 110.4 | ||||
| 1481 | K | 29.8 | Very low | 29.4 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | 179.5 | 159.4 | 130 | -106.9 | 177.4 | 178.9 | -176 | 0 | 114.6 | ||||
| 1482 | L | 25.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | trans | 68.1 | 135.9 | -178.5 | -51.4 | 170.9 | 0 | 0 | 0 | 112.3 | ||||
| 1483 | I | 31 | Very low | 31.2 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | cis | -117.3 | 153.8 | 19.4 | -67.3 | 166.9 | 0 | 0 | 0 | 110.9 | ||||
| 1484 | P | 33.1 | Very low | 32.3 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 49% | 0.494 | 69% | 0.69 | S | S | . | * | trans | -84.3 | 150.1 | 177.6 | 33.1 | -36.1 | 0 | 0 | 0 | 115.1 | L18 | L18-P1484 HydrophobicContact CD1-CB 3.73Å; L18-P1484 HydrophobicContact CD2-CB 3.81Å; L18-P1484 HydrophobicContact CG-CB 4.34Å | ||
| 1485 | N | 27.6 | Very low | 33.8 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -113.3 | 132.3 | 164.1 | -86.7 | -11.6 | 0 | 0 | 0 | 109.4 | ||||
| 1486 | D | 26.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | trans | -163 | 157.7 | 154.6 | -97.6 | -44.9 | 0 | 0 | 0 | 109.7 | ||||
| 1487 | H | 27.4 | Very low | 36.6 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 83% | 0.829 | 64% | 0.637 | S | S | * | * | trans | 92.9 | 43.6 | -179.2 | -61.8 | -69.8 | 0 | 0 | 0 | 121.3 | ||||
| 1488 | I | 29.2 | Very low | 38.8 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | trans | -137.3 | 62.5 | 157.2 | -42.4 | 177.8 | 0 | 0 | 0 | 112.5 | ||||
| 1489 | T | 29.5 | Very low | 41.7 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 77% | 0.767 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -142.1 | 7.9 | -177.8 | 44.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1490 | S | 32.2 | Very low | 44.7 | Very low | 96 Ų | 96 | 106 Ų | 106 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -113.5 | -19.3 | -177 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1491 | T | 39.7 | Very low | 47.8 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -81.1 | -43.5 | -168.6 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | Q1392 L1493 | Q1392-T1491 PolarHBondContact NE2-O 2.67Å; Q1392-T1491 PolarHBondContact OE1-O 2.7Å; T1491-L1493 PolarHBondContact O-N 3.18Å |
| 1492 | S | 44.5 | Very low | 50.9 | Low | 72 Ų | 72 | 95.7 Ų | 95.7 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -2.7 | -169.1 | 59.1 | 0 | 0 | 0 | 0 | 116.1 | N1496 | S1492-N1496 PolarHBondContact O-ND2 3.47Š|
| 1493 | L | 45.6 | Very low | 54.1 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.9 | 179.7 | -73.6 | 164.1 | 0 | 0 | 0 | 112.8 | T1491 R1495 N1496 | T1491-L1493 PolarHBondContact O-N 3.18Å; L1493-R1495 VanDerWaalsContact C-N 3.33Å; L1493-R1495 PolarHBondContact O-N 3.35Å; L1493-N1496 PolarHBondContact O-N 3.17Å |
| 1494 | L | 53.6 | Low | 57.2 | Low | 67 Ų | 67 | 83.7 Ų | 83.7 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.7 | -171.2 | -84.3 | 164.5 | 0 | 0 | 0 | 114.7 | D1497 | L1494-D1497 WeakPolarHBondContact O-CB 3.42Š|
| 1495 | R | 59.6 | Low | 60.1 | Low | 56 Ų | 56 | 82.3 Ų | 82.3 | 21% | 0.211 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.2 | -179.4 | -165.2 | 170.6 | 178.5 | -165.1 | -5.3 | 113.4 | Q1392 D1394 T1443 L1493 D1497 Y1500 | Q1392-R1495 PolarHBondContact O-NH1 2.96Å; D1394-R1495 IonicContact OD1-NH2 3.62Å; D1394-R1495 IonicContact OD2-CZ 3.16Å; D1394-R1495 IonicContact OD2-NE 2.7Å; D1394-R1495 PolarHBondContact OD2-NE 3.45Å; D1394-R1495 IonicContact OD2-NH2 2.94Å; D1394-R1495 PolarHBondContact OD2-NH2 3.03Å; T1443-R1495 WeakPolarHBondContact CG2-O 3.17Å; L1493-R1495 VanDerWaalsContact C-N 3.33Å; L1493-R1495 PolarHBondContact O-N 3.35Å; R1495-D1497 VanDerWaalsContact C-N 3.33Å; R1495-Y1500 HydrophobicContact CG-CD1 4.49Å; R1495-Y1500 HydrophobicContact CG-CE1 4.23Å; R1495-Y1500 HydrophobicContact CG-CE2 4.41Å |
| 1496 | N | 55.5 | Low | 63.2 | Low | 80 Ų | 80 | 81.4 Ų | 81.4 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.8 | 178.3 | -73 | -50.6 | 0 | 0 | 0 | 113.4 | S1492 L1493 | S1492-N1496 PolarHBondContact O-ND2 3.47Å; L1493-N1496 PolarHBondContact O-N 3.17Å |
| 1497 | D | 64.6 | Low | 66.5 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.8 | 132.8 | -179.9 | -128.2 | -4.3 | 0 | 0 | 0 | 111.7 | L1494 R1495 T1499 Y1500 K1503 | L1494-D1497 WeakPolarHBondContact O-CB 3.42Å; R1495-D1497 VanDerWaalsContact C-N 3.33Å; D1497-T1499 PolarHBondContact O-N 3.31Å; D1497-T1499 PolarHBondContact OD2-OG1 3.31Å; D1497-Y1500 VanDerWaalsContact O-CB 3.3Å; D1497-Y1500 WeakPolarHBondContact O-CB 3.27Å; D1497-Y1500 PolarHBondContact O-N 2.91Å; D1497-K1503 IonicContact OD2-NZ 3.76Å; D1497-K1503 PolarHBondContact OD2-NZ 3.42Å |
| 1498 | S | 75.6 | Confident | 69.6 | Low | 118 Ų | 118 | 67.8 Ų | 67.8 | 83% | 0.825 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.4 | 174.3 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1499 | T | 87.8 | Confident | 72.5 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -6.6 | 176.3 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | D1497 F1501 S1502 K1503 | D1497-T1499 PolarHBondContact O-N 3.31Å; D1497-T1499 PolarHBondContact OD2-OG1 3.31Å; T1499-F1501 PolarHBondContact O-N 3.01Å; T1499-S1502 WeakPolarHBondContact O-CA 3.46Å; T1499-S1502 WeakPolarHBondContact O-CB 3.27Å; T1499-S1502 PolarHBondContact O-N 2.78Å; T1499-K1503 PolarHBondContact O-N 3.08Å; T1499-K1503 WeakPolarHBondContact OG1-CE 3.13Å; T1499-K1503 PolarHBondContact OG1-NZ 2.84Å |
| 1500 | Y | 93 | Very high | 75.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.1 | -47.8 | -175.1 | 175 | -118.4 | 0 | 0 | 0 | 113 | L1390 I1391 D1394 C1439 R1495 D1497 S1502 K1503 V1504 | L1390-Y1500 HydrophobicContact CD1-CD2 4.39Å; L1390-Y1500 HydrophobicContact CD1-CE2 4.48Å; L1390-Y1500 WeakPolarHBondContact O-CE2 3.2Å; I1391-Y1500 PolarHBondContact O-OH 3.27Å; D1394-Y1500 VanDerWaalsContact CB-OH 3.24Å; D1394-Y1500 WeakPolarHBondContact CB-OH 3.45Å; C1439-Y1500 HydrophobicContact CB-CD1 3.73Å; C1439-Y1500 HydrophobicContact CB-CE1 3.94Å; R1495-Y1500 HydrophobicContact CG-CD1 4.49Å; R1495-Y1500 HydrophobicContact CG-CE1 4.23Å; R1495-Y1500 HydrophobicContact CG-CE2 4.41Å; D1497-Y1500 VanDerWaalsContact O-CB 3.3Å; D1497-Y1500 WeakPolarHBondContact O-CB 3.27Å; D1497-Y1500 PolarHBondContact O-N 2.91Å; Y1500-S1502 VanDerWaalsContact C-N 3.32Å; Y1500-S1502 PolarHBondContact O-N 2.95Å; Y1500-K1503 PolarHBondContact O-N 3.07Å; Y1500-V1504 HydrophobicContact CD2-CG2 4.03Å; Y1500-V1504 HydrophobicContact CE2-CG2 3.59Å; Y1500-V1504 WeakPolarHBondContact O-CG2 3.27Å; Y1500-V1504 PolarHBondContact O-N 2.87Å |
| 1501 | F | 94 | Very high | 78.4 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.4 | -44.8 | 173.9 | 169.8 | -107.8 | 0 | 0 | 0 | 112.5 | V1432 L1435 K1436 C1439 T1499 V1504 F1505 | V1432-F1501 HydrophobicContact CG1-CZ 4.27Å; L1435-F1501 HydrophobicContact CB-CE2 4.3Å; L1435-F1501 HydrophobicContact CD2-CE2 4.16Å; L1435-F1501 HydrophobicContact CG-CD2 4.19Å; L1435-F1501 HydrophobicContact CG-CE2 4.03Å; K1436-F1501 HydrophobicContact CB-CD1 4.29Å; K1436-F1501 HydrophobicContact CB-CD2 3.75Å; K1436-F1501 HydrophobicContact CB-CE1 4.11Å; K1436-F1501 HydrophobicContact CB-CE2 3.54Å; K1436-F1501 HydrophobicContact CB-CG 4.12Å; K1436-F1501 HydrophobicContact CB-CZ 3.74Å; K1436-F1501 HydrophobicContact CD-CD1 4.36Å; K1436-F1501 HydrophobicContact CD-CE1 3.98Å; K1436-F1501 HydrophobicContact CD-CZ 4.2Å; K1436-F1501 HydrophobicContact CG-CD1 3.92Å; K1436-F1501 HydrophobicContact CG-CD2 4.21Å; K1436-F1501 HydrophobicContact CG-CE1 3.95Å; K1436-F1501 HydrophobicContact CG-CE2 4.23Å; K1436-F1501 HydrophobicContact CG-CG 4.05Å; K1436-F1501 HydrophobicContact CG-CZ 4.11Å; C1439-F1501 HydrophobicContact CB-CB 3.72Å; C1439-F1501 HydrophobicContact CB-CD2 4.24Å; C1439-F1501 HydrophobicContact CB-CG 4.46Å; T1499-F1501 PolarHBondContact O-N 3.01Å; F1501-V1504 PolarHBondContact O-N 3Å; F1501-F1505 HydrophobicContact CD2-CB 4.48Å; F1501-F1505 HydrophobicContact CE1-CB 4.33Å; F1501-F1505 HydrophobicContact CE1-CG 4.48Å; F1501-F1505 HydrophobicContact CE2-CB 3.97Å; F1501-F1505 HydrophobicContact CE2-CD2 4.31Å; F1501-F1505 HydrophobicContact CE2-CG 4.31Å; F1501-F1505 HydrophobicContact CZ-CB 3.88Å; F1501-F1505 HydrophobicContact CZ-CD2 4.06Å; F1501-F1505 AromaticContact CZ-CG 3.88Å; F1501-F1505 HydrophobicContact CZ-CG 3.88Å; F1501-F1505 WeakPolarHBondContact O-CB 3.17Å; F1501-F1505 PolarHBondContact O-N 3.25Å |
| 1502 | S | 93.2 | Very high | 80.9 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | -179.7 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | T1499 Y1500 V1504 F1505 Q1506 | T1499-S1502 WeakPolarHBondContact O-CA 3.46Å; T1499-S1502 WeakPolarHBondContact O-CB 3.27Å; T1499-S1502 PolarHBondContact O-N 2.78Å; Y1500-S1502 VanDerWaalsContact C-N 3.32Å; Y1500-S1502 PolarHBondContact O-N 2.95Å; S1502-V1504 VanDerWaalsContact C-N 3.34Å; S1502-V1504 PolarHBondContact O-N 3.5Å; S1502-F1505 PolarHBondContact O-N 3.19Å; S1502-Q1506 WeakPolarHBondContact O-CB 3.39Å; S1502-Q1506 VanDerWaalsContact O-CG 3.23Å; S1502-Q1506 WeakPolarHBondContact O-CG 3.25Å; S1502-Q1506 PolarHBondContact O-N 3.02Å; S1502-Q1506 PolarHBondContact O-OE1 3.41Å |
| 1503 | K | 93.9 | Very high | 83.1 | Confident | 54 Ų | 54 | 55 Ų | 55 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 178.4 | -66.8 | 174.8 | -178.1 | 167.9 | 0 | 111.8 | L1390 D1497 T1499 Y1500 Q1507 | L1390-K1503 HydrophobicContact CD1-CB 3.64Å; L1390-K1503 HydrophobicContact CD1-CD 4.07Å; L1390-K1503 HydrophobicContact CD1-CG 4.49Å; L1390-K1503 HydrophobicContact CD2-CB 4.39Å; D1497-K1503 IonicContact OD2-NZ 3.76Å; D1497-K1503 PolarHBondContact OD2-NZ 3.42Å; T1499-K1503 PolarHBondContact O-N 3.08Å; T1499-K1503 WeakPolarHBondContact OG1-CE 3.13Å; T1499-K1503 PolarHBondContact OG1-NZ 2.84Å; Y1500-K1503 PolarHBondContact O-N 3.07Å; K1503-Q1507 WeakPolarHBondContact O-CG 3.37Å; K1503-Q1507 PolarHBondContact O-NE2 3.16Å |
| 1504 | V | 94.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -45.9 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | L1390 I1391 A1397 L1401 L1435 Y1500 F1501 S1502 Q1506 Q1507 | L1390-V1504 HydrophobicContact CD1-CG2 4.44Å; L1390-V1504 HydrophobicContact CD2-CG2 4.08Å; L1390-V1504 HydrophobicContact CG-CG2 4.14Å; I1391-V1504 HydrophobicContact CG1-CG2 4.31Å; A1397-V1504 HydrophobicContact CB-CG1 4.24Å; L1401-V1504 HydrophobicContact CD2-CG1 4.4Å; L1435-V1504 HydrophobicContact CD1-CG1 4.48Å; L1435-V1504 HydrophobicContact CD2-CG1 4.21Å; Y1500-V1504 HydrophobicContact CD2-CG2 4.03Å; Y1500-V1504 HydrophobicContact CE2-CG2 3.59Å; Y1500-V1504 WeakPolarHBondContact O-CG2 3.27Å; Y1500-V1504 PolarHBondContact O-N 2.87Å; F1501-V1504 PolarHBondContact O-N 3Å; S1502-V1504 VanDerWaalsContact C-N 3.34Å; S1502-V1504 PolarHBondContact O-N 3.5Å; V1504-Q1506 VanDerWaalsContact C-N 3.27Å; V1504-Q1506 PolarHBondContact O-N 3.29Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.47Å; V1504-Q1507 WeakPolarHBondContact O-CG 3.44Å; V1504-Q1507 PolarHBondContact O-N 3.19Å; V1504-Q1507 VanDerWaalsContact O-N 3.1Å |
| 1505 | F | 94.1 | Very high | 87.2 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -31.1 | -178.9 | -176 | -107.4 | 0 | 0 | 0 | 113 | L1404 V1432 F1501 S1502 Q1507 K1508 | L1404-F1505 HydrophobicContact CD1-CD2 4.06Å; L1404-F1505 HydrophobicContact CD1-CE2 4.09Å; L1404-F1505 HydrophobicContact CD2-CE2 4.34Å; V1432-F1505 HydrophobicContact CG1-CE2 4.44Å; V1432-F1505 HydrophobicContact CG2-CE2 3.88Å; V1432-F1505 HydrophobicContact CG2-CZ 4.18Å; F1501-F1505 HydrophobicContact CD2-CB 4.48Å; F1501-F1505 HydrophobicContact CE1-CB 4.33Å; F1501-F1505 HydrophobicContact CE1-CG 4.48Å; F1501-F1505 HydrophobicContact CE2-CB 3.97Å; F1501-F1505 HydrophobicContact CE2-CD2 4.31Å; F1501-F1505 HydrophobicContact CE2-CG 4.31Å; F1501-F1505 HydrophobicContact CZ-CB 3.88Å; F1501-F1505 HydrophobicContact CZ-CD2 4.06Å; F1501-F1505 AromaticContact CZ-CG 3.88Å; F1501-F1505 HydrophobicContact CZ-CG 3.88Å; F1501-F1505 WeakPolarHBondContact O-CB 3.17Å; F1501-F1505 PolarHBondContact O-N 3.25Å; S1502-F1505 PolarHBondContact O-N 3.19Å; F1505-Q1507 VanDerWaalsContact C-N 3.3Å; F1505-Q1507 PolarHBondContact O-N 3.44Å; F1505-K1508 HydrophobicContact CD2-CD 4.48Å; F1505-K1508 HydrophobicContact CE2-CD 4.03Å; F1505-K1508 HydrophobicContact CZ-CD 4.25Å; F1505-K1508 WeakPolarHBondContact O-CG 3.13Å |
| 1506 | Q | 93.2 | Very high | 88.6 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 53% | 0.528 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -23 | 174.5 | -76.2 | 171.3 | -58.5 | 0 | 0 | 113.3 | S1502 V1504 K1508 D1509 V1510 | S1502-Q1506 WeakPolarHBondContact O-CB 3.39Å; S1502-Q1506 VanDerWaalsContact O-CG 3.23Å; S1502-Q1506 WeakPolarHBondContact O-CG 3.25Å; S1502-Q1506 PolarHBondContact O-N 3.02Å; S1502-Q1506 PolarHBondContact O-OE1 3.41Å; V1504-Q1506 VanDerWaalsContact C-N 3.27Å; V1504-Q1506 PolarHBondContact O-N 3.29Å; Q1506-K1508 PolarHBondContact O-N 3.5Å; Q1506-D1509 PolarHBondContact O-N 2.79Å; Q1506-V1510 PolarHBondContact O-N 2.89Å |
| 1507 | Q | 94.7 | Very high | 90.2 | Very high | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -33 | 179.9 | -61.2 | -52.7 | -61.2 | 0 | 0 | 112.4 | L1387 L1390 L1401 K1503 V1504 F1505 D1509 V1510 I1511 | L1387-Q1507 HydrophobicContact CD2-CB 4.4Å; L1387-Q1507 HydrophobicContact CD2-CG 4.08Å; L1390-Q1507 HydrophobicContact CD2-CG 3.74Å; L1401-Q1507 HydrophobicContact CD2-CB 3.83Å; L1401-Q1507 HydrophobicContact CD2-CG 4.48Å; K1503-Q1507 WeakPolarHBondContact O-CG 3.37Å; K1503-Q1507 PolarHBondContact O-NE2 3.16Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.47Å; V1504-Q1507 WeakPolarHBondContact O-CG 3.44Å; V1504-Q1507 PolarHBondContact O-N 3.19Å; V1504-Q1507 VanDerWaalsContact O-N 3.1Å; F1505-Q1507 VanDerWaalsContact C-N 3.3Å; F1505-Q1507 PolarHBondContact O-N 3.44Å; Q1507-D1509 PolarHBondContact O-N 2.89Å; Q1507-V1510 PolarHBondContact O-N 2.92Å; Q1507-I1511 HydrophobicContact CB-CD1 4.23Å; Q1507-I1511 WeakPolarHBondContact O-CB 3.21Å; Q1507-I1511 VanDerWaalsContact O-CD1 3.24Å; Q1507-I1511 WeakPolarHBondContact O-CD1 3.49Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.3Å; Q1507-I1511 PolarHBondContact O-N 3.06Å |
| 1508 | K | 92.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -32.5 | 177.1 | 84.7 | -175 | -175.3 | 60.9 | 0 | 112.8 | L1401 I1405 N1408 F1505 Q1506 H1512 | L1401-K1508 HydrophobicContact CD1-CB 3.9Å; I1405-K1508 HydrophobicContact CG1-CB 3.82Å; N1408-K1508 VanDerWaalsContact CG-NZ 3.3Å; N1408-K1508 PolarHBondContact ND2-NZ 2.96Å; N1408-K1508 VanDerWaalsContact ND2-NZ 3.13Å; N1408-K1508 PolarHBondContact OD1-NZ 3.24Å; F1505-K1508 HydrophobicContact CD2-CD 4.48Å; F1505-K1508 HydrophobicContact CE2-CD 4.03Å; F1505-K1508 HydrophobicContact CZ-CD 4.25Å; F1505-K1508 WeakPolarHBondContact O-CG 3.13Å; Q1506-K1508 PolarHBondContact O-N 3.5Å; K1508-H1512 WeakPolarHBondContact O-CB 3.4Å; K1508-H1512 PolarHBondContact O-N 3.34Å |
| 1509 | D | 90.4 | Very high | 92.3 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -79.1 | -40.1 | 179.9 | -70.8 | -7.7 | 0 | 0 | 0 | 109.1 | K1410 Q1506 Q1507 H1512 E1513 | K1410-D1509 IonicContact NZ-OD1 3.33Å; K1410-D1509 IonicContact NZ-OD2 2.9Å; K1410-D1509 PolarHBondContact NZ-OD2 3.26Å; Q1506-D1509 PolarHBondContact O-N 2.79Å; Q1507-D1509 PolarHBondContact O-N 2.89Å; D1509-H1512 PolarHBondContact O-N 2.71Å; D1509-E1513 PolarHBondContact O-N 3.48Å |
| 1510 | V | 92.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 33% | 0.333 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | Q1506 Q1507 H1512 E1513 M1514 | Q1506-V1510 PolarHBondContact O-N 2.89Å; Q1507-V1510 PolarHBondContact O-N 2.92Å; V1510-H1512 VanDerWaalsContact C-N 3.31Å; V1510-H1512 PolarHBondContact O-N 2.78Å; V1510-E1513 PolarHBondContact O-N 3.05Å; V1510-M1514 VanDerWaalsContact O-CB 3.31Å; V1510-M1514 WeakPolarHBondContact O-CB 3.46Å; V1510-M1514 PolarHBondContact O-N 3.2Å |
| 1511 | I | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.4 | -69.9 | 157.9 | 0 | 0 | 0 | 110.7 | D1230 F1234 L1383 I1405 Q1507 T1515 | D1230-I1511 HydrophobicContact CB-CG2 4.1Å; D1230-I1511 VanDerWaalsContact O-CG2 3.28Å; D1230-I1511 WeakPolarHBondContact O-CG2 3.19Å; F1234-I1511 HydrophobicContact CB-CD1 4.07Å; F1234-I1511 HydrophobicContact CB-CG2 4.29Å; F1234-I1511 HydrophobicContact CD2-CD1 3.4Å; F1234-I1511 VanDerWaalsContact CD2-CD1 3.4Å; F1234-I1511 HydrophobicContact CE2-CD1 4.15Å; F1234-I1511 HydrophobicContact CG-CD1 4Å; L1383-I1511 HydrophobicContact CD1-CG1 4.18Å; L1383-I1511 HydrophobicContact CD2-CG1 3.81Å; I1405-I1511 HydrophobicContact CD1-CD1 3.73Å; Q1507-I1511 HydrophobicContact CB-CD1 4.23Å; Q1507-I1511 WeakPolarHBondContact O-CB 3.21Å; Q1507-I1511 VanDerWaalsContact O-CD1 3.24Å; Q1507-I1511 WeakPolarHBondContact O-CD1 3.49Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.3Å; Q1507-I1511 PolarHBondContact O-N 3.06Å; I1511-T1515 VanDerWaalsContact O-CB 3.31Å; I1511-T1515 WeakPolarHBondContact O-CB 3.44Å; I1511-T1515 PolarHBondContact O-N 3.06Å; I1511-T1515 PolarHBondContact O-OG1 3.23Å |
| 1512 | H | 91.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -42.2 | 179.4 | -175 | 68 | 0 | 0 | 0 | 112 | D1230 K1508 D1509 V1510 T1515 R1516 | D1230-H1512 WeakPolarHBondContact OD1-CA 3.3Å; D1230-H1512 IonicContact OD1-ND1 3.19Å; D1230-H1512 PolarHBondContact OD1-ND1 2.7Å; D1230-H1512 IonicContact OD2-CE1 2.68Å; D1230-H1512 IonicContact OD2-CG 3.63Å; D1230-H1512 IonicContact OD2-ND1 3.34Å; D1230-H1512 PolarHBondContact OD2-ND1 2.79Å; K1508-H1512 WeakPolarHBondContact O-CB 3.4Å; K1508-H1512 PolarHBondContact O-N 3.34Å; D1509-H1512 PolarHBondContact O-N 2.71Å; V1510-H1512 VanDerWaalsContact C-N 3.31Å; V1510-H1512 PolarHBondContact O-N 2.78Å; H1512-T1515 PolarHBondContact O-N 2.76Å; H1512-R1516 PolarHBondContact NE2-NH2 3.37Å; H1512-R1516 VanDerWaalsContact O-CB 3.29Å; H1512-R1516 WeakPolarHBondContact O-CB 3.35Å; H1512-R1516 PolarHBondContact O-N 3.09Å |
| 1513 | E | 89.8 | Confident | 91.7 | Very high | 132 Ų | 132 | 43.2 Ų | 43.2 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.2 | -48.8 | 173 | -172.7 | 175.5 | -179.9 | 0 | 0 | 111.6 | D1509 V1510 T1515 R1516 E1517 | D1509-E1513 PolarHBondContact O-N 3.48Å; V1510-E1513 PolarHBondContact O-N 3.05Å; E1513-T1515 PolarHBondContact O-N 3.12Å; E1513-R1516 PolarHBondContact O-N 2.85Å; E1513-E1517 PolarHBondContact O-N 2.9Å |
| 1514 | M | 93.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.069 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 176 | -177.2 | -162.2 | 75.5 | 0 | 0 | 112.4 | Q1379 I1380 L1383 V1510 Y1518 | Q1379-M1514 HydrophobicContact CB-CG 3.78Å; Q1379-M1514 HydrophobicContact CB-SD 3.81Å; I1380-M1514 HydrophobicContact CD1-CE 3.77Å; I1380-M1514 HydrophobicContact CG1-CE 4.46Å; L1383-M1514 HydrophobicContact CB-SD 4.11Å; L1383-M1514 HydrophobicContact CD2-CE 3.78Å; L1383-M1514 HydrophobicContact CD2-SD 3.89Å; V1510-M1514 VanDerWaalsContact O-CB 3.31Å; V1510-M1514 WeakPolarHBondContact O-CB 3.46Å; V1510-M1514 PolarHBondContact O-N 3.2Å; M1514-Y1518 HydrophobicContact CG-CD2 4.13Å; M1514-Y1518 WeakPolarHBondContact O-CB 3.16Å; M1514-Y1518 WeakPolarHBondContact O-CD2 3.08Å; M1514-Y1518 PolarHBondContact O-N 3.36Å; M1514-Y1518 VanDerWaalsContact O-N 3.11Å |
| 1515 | T | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | 180 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | L1229 D1230 S1233 I1511 H1512 E1513 L1519 M1544 | L1229-T1515 HydrophobicContact CB-CG2 3.52Å; D1230-T1515 WeakPolarHBondContact OD1-CB 3.45Å; S1233-T1515 PolarHBondContact OG-OG1 2.98Å; I1511-T1515 VanDerWaalsContact O-CB 3.31Å; I1511-T1515 WeakPolarHBondContact O-CB 3.44Å; I1511-T1515 PolarHBondContact O-N 3.06Å; I1511-T1515 PolarHBondContact O-OG1 3.23Å; H1512-T1515 PolarHBondContact O-N 2.76Å; E1513-T1515 PolarHBondContact O-N 3.12Å; T1515-L1519 HydrophobicContact CG2-CB 4.31Å; T1515-L1519 HydrophobicContact CG2-CD2 4.05Å; T1515-L1519 WeakPolarHBondContact O-CB 3.47Å; T1515-L1519 PolarHBondContact O-N 3.36Å; T1515-L1519 VanDerWaalsContact O-N 3.09Å; T1515-M1544 HydrophobicContact CG2-CE 4.05Å |
| 1516 | R | 88.4 | Confident | 90.8 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -55.4 | 176.3 | -171.4 | -174.7 | -59.8 | -133 | 7.7 | 111.9 | H1512 E1513 I1520 S1547 D1548 | H1512-R1516 PolarHBondContact NE2-NH2 3.37Å; H1512-R1516 VanDerWaalsContact O-CB 3.29Å; H1512-R1516 WeakPolarHBondContact O-CB 3.35Å; H1512-R1516 PolarHBondContact O-N 3.09Å; E1513-R1516 PolarHBondContact O-N 2.85Å; R1516-I1520 HydrophobicContact CB-CD1 4.2Å; R1516-I1520 HydrophobicContact CG-CD1 3.76Å; R1516-I1520 WeakPolarHBondContact O-CB 3.41Å; R1516-S1547 VanDerWaalsContact NH1-C 3.28Å; R1516-S1547 PolarHBondContact NH1-O 2.98Å; R1516-S1547 PolarHBondContact NH2-O 2.8Å; R1516-S1547 PolarHBondContact NH2-OG 3.39Å; R1516-D1548 IonicContact CZ-OD1 2.91Å; R1516-D1548 IonicContact CZ-OD2 2.71Å; R1516-D1548 IonicContact NH1-OD1 3.91Å; R1516-D1548 PolarHBondContact NH1-OD1 3.33Å; R1516-D1548 IonicContact NH1-OD2 2.78Å; R1516-D1548 PolarHBondContact NH1-OD2 3.17Å |
| 1517 | E | 90.2 | Very high | 90.6 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.7 | -47.8 | -175.7 | -76.2 | -63.8 | 119.7 | 0 | 0 | 112.8 | E1513 | E1513-E1517 PolarHBondContact O-N 2.9Å |
| 1518 | Y | 93.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -98.3 | -15.6 | -166.4 | -62.9 | -75.4 | 0 | 0 | 0 | 114.9 | N1375 Q1379 M1514 P1522 | N1375-Y1518 HydrophobicContact CB-CD1 4.11Å; Q1379-Y1518 HydrophobicContact CB-CD2 4.33Å; Q1379-Y1518 HydrophobicContact CG-CD1 4.23Å; Q1379-Y1518 HydrophobicContact CG-CD2 3.7Å; Q1379-Y1518 HydrophobicContact CG-CE1 4.19Å; Q1379-Y1518 HydrophobicContact CG-CE2 3.65Å; Q1379-Y1518 HydrophobicContact CG-CG 3.99Å; Q1379-Y1518 PolarHBondContact NE2-OH 3.04Å; M1514-Y1518 HydrophobicContact CG-CD2 4.13Å; M1514-Y1518 WeakPolarHBondContact O-CB 3.16Å; M1514-Y1518 WeakPolarHBondContact O-CD2 3.08Å; M1514-Y1518 PolarHBondContact O-N 3.36Å; M1514-Y1518 VanDerWaalsContact O-N 3.11Å; Y1518-P1522 WeakPolarHBondContact O-CG 3.39Å |
| 1519 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -113.6 | -33.1 | -174.9 | -163.1 | 61.2 | 0 | 0 | 0 | 114.6 | F1191 L1229 F1373 W1376 T1515 Q1521 P1522 L1523 | F1191-L1519 HydrophobicContact CZ-CD1 4.4Å; L1229-L1519 HydrophobicContact CB-CD2 4.13Å; L1229-L1519 HydrophobicContact CD1-CD2 4.17Å; L1229-L1519 HydrophobicContact CD2-CD2 3.94Å; L1229-L1519 HydrophobicContact CG-CD2 4.31Å; F1373-L1519 HydrophobicContact CD1-CD1 3.49Å; F1373-L1519 VanDerWaalsContact CD1-CD1 3.49Å; F1373-L1519 HydrophobicContact CE1-CD1 3.59Å; W1376-L1519 HydrophobicContact CB-CD1 4.47Å; W1376-L1519 HydrophobicContact CD2-CD1 3.86Å; W1376-L1519 HydrophobicContact CE3-CD1 4.26Å; W1376-L1519 HydrophobicContact CG-CB 4.4Å; W1376-L1519 HydrophobicContact CG-CD1 3.97Å; W1376-L1519 HydrophobicContact CZ2-CD2 4.14Å; T1515-L1519 HydrophobicContact CG2-CB 4.31Å; T1515-L1519 HydrophobicContact CG2-CD2 4.05Å; T1515-L1519 WeakPolarHBondContact O-CB 3.47Å; T1515-L1519 PolarHBondContact O-N 3.36Å; T1515-L1519 VanDerWaalsContact O-N 3.09Å; L1519-Q1521 PolarHBondContact O-N 3.08Å; L1519-P1522 WeakPolarHBondContact O-CD 3.38Å; L1519-L1523 HydrophobicContact CD1-CD1 4.48Å; L1519-L1523 HydrophobicContact CD1-CG 4.47Å; L1519-L1523 HydrophobicContact CD2-CD1 4.36Å; L1519-L1523 HydrophobicContact CG-CD1 3.86Å; L1519-L1523 HydrophobicContact CG-CG 4.27Å; L1519-L1523 WeakPolarHBondContact O-CG 2.99Å; L1519-L1523 PolarHBondContact O-N 3.36Å; L1519-L1523 VanDerWaalsContact O-N 3.14Å |
| 1520 | I | 87.8 | Confident | 89.8 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | -177.9 | -62.4 | -179.5 | 0 | 0 | 0 | 111.8 | R1516 L1523 Q1524 I1541 M1544 K1545 | R1516-I1520 HydrophobicContact CB-CD1 4.2Å; R1516-I1520 HydrophobicContact CG-CD1 3.76Å; R1516-I1520 WeakPolarHBondContact O-CB 3.41Å; I1520-L1523 PolarHBondContact O-N 3.48Å; I1520-Q1524 WeakPolarHBondContact O-CB 3.44Å; I1520-Q1524 PolarHBondContact O-N 3.06Å; I1520-I1541 HydrophobicContact CG2-CG2 4.25Å; I1520-M1544 HydrophobicContact CD1-CB 3.65Å; I1520-M1544 HydrophobicContact CD1-CE 4.41Å; I1520-M1544 HydrophobicContact CD1-SD 4.46Å; I1520-K1545 HydrophobicContact CG2-CG 4.39Å |
| 1521 | Q | 87.6 | Confident | 89.6 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | -179.8 | -96.2 | -163.9 | 57 | 0 | 0 | 113.3 | L1519 Q1524 R1525 | L1519-Q1521 PolarHBondContact O-N 3.08Å; Q1521-Q1524 PolarHBondContact O-N 3.38Å; Q1521-R1525 WeakPolarHBondContact O-CG 3.34Å; Q1521-R1525 PolarHBondContact O-N 3.29Å; Q1521-R1525 VanDerWaalsContact OE1-NH2 3.11Å |
| 1522 | P | 89.5 | Confident | 89.3 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.5 | -51.8 | 170.6 | -30.9 | 37.8 | 0 | 0 | 0 | 113 | F1373 Y1518 L1519 Q1524 R1525 L1526 | F1373-P1522 HydrophobicContact CD1-CB 3.83Å; F1373-P1522 HydrophobicContact CD1-CG 4.45Å; F1373-P1522 HydrophobicContact CE1-CB 3.41Å; F1373-P1522 VanDerWaalsContact CE1-CB 3.41Å; F1373-P1522 HydrophobicContact CE1-CG 4.42Å; F1373-P1522 HydrophobicContact CZ-CB 3.84Å; Y1518-P1522 WeakPolarHBondContact O-CG 3.39Å; L1519-P1522 WeakPolarHBondContact O-CD 3.38Å; P1522-Q1524 VanDerWaalsContact C-N 3.31Å; P1522-Q1524 PolarHBondContact O-N 3.48Å; P1522-R1525 WeakPolarHBondContact O-CB 3.42Å; P1522-R1525 PolarHBondContact O-N 3.5Å; P1522-R1525 VanDerWaalsContact O-N 3.09Å; P1522-L1526 WeakPolarHBondContact O-CG 3.27Å; P1522-L1526 PolarHBondContact O-N 2.79Å |
| 1523 | L | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -37.1 | -179.2 | -68.7 | 176.3 | 0 | 0 | 0 | 113 | F1191 L1195 L1229 F1373 L1519 I1520 L1526 Y1527 L1537 I1541 | F1191-L1523 HydrophobicContact CE1-CD2 4.21Å; L1195-L1523 HydrophobicContact CD2-CD1 4.5Å; L1195-L1523 HydrophobicContact CD2-CD2 3.69Å; L1229-L1523 HydrophobicContact CD1-CD1 3.45Å; L1229-L1523 VanDerWaalsContact CD1-CD1 3.45Å; L1229-L1523 HydrophobicContact CD2-CD1 4.23Å; F1373-L1523 HydrophobicContact CE1-CD2 4.02Å; F1373-L1523 HydrophobicContact CE1-CG 4.25Å; F1373-L1523 HydrophobicContact CZ-CD2 4.03Å; L1519-L1523 HydrophobicContact CD1-CD1 4.48Å; L1519-L1523 HydrophobicContact CD1-CG 4.47Å; L1519-L1523 HydrophobicContact CD2-CD1 4.36Å; L1519-L1523 HydrophobicContact CG-CD1 3.86Å; L1519-L1523 HydrophobicContact CG-CG 4.27Å; L1519-L1523 WeakPolarHBondContact O-CG 2.99Å; L1519-L1523 PolarHBondContact O-N 3.36Å; L1519-L1523 VanDerWaalsContact O-N 3.14Å; I1520-L1523 PolarHBondContact O-N 3.48Å; L1523-L1526 PolarHBondContact O-N 3.43Å; L1523-Y1527 PolarHBondContact O-N 2.95Å; L1523-L1537 HydrophobicContact CB-CD1 4.34Å; L1523-L1537 HydrophobicContact CB-CD2 4.38Å; L1523-L1537 HydrophobicContact CD1-CD2 4.07Å; L1523-L1537 HydrophobicContact CD2-CD1 3.96Å; L1523-L1537 HydrophobicContact CD2-CD2 3.96Å; L1523-L1537 HydrophobicContact CG-CD2 4.37Å; L1523-I1541 HydrophobicContact CB-CD1 4.15Å; L1523-I1541 HydrophobicContact CB-CG1 4.37Å |
| 1524 | Q | 90.1 | Very high | 88.9 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 173.7 | 175.3 | 173.6 | -7.8 | 0 | 0 | 112.2 | I1520 Q1521 P1522 L1526 Y1527 E1528 I1541 | I1520-Q1524 WeakPolarHBondContact O-CB 3.44Å; I1520-Q1524 PolarHBondContact O-N 3.06Å; Q1521-Q1524 PolarHBondContact O-N 3.38Å; P1522-Q1524 VanDerWaalsContact C-N 3.31Å; P1522-Q1524 PolarHBondContact O-N 3.48Å; Q1524-L1526 PolarHBondContact O-N 3.19Å; Q1524-Y1527 PolarHBondContact O-N 3.38Å; Q1524-E1528 HydrophobicContact CG-CG 4.32Å; Q1524-E1528 VanDerWaalsContact CG-OE1 3.26Å; Q1524-E1528 WeakPolarHBondContact CG-OE1 3.39Å; Q1524-E1528 PolarHBondContact NE2-OE1 3.07Å; Q1524-E1528 WeakPolarHBondContact O-CB 3.48Å; Q1524-E1528 VanDerWaalsContact O-CG 3.32Å; Q1524-E1528 WeakPolarHBondContact O-CG 3.44Å; Q1524-E1528 PolarHBondContact O-N 3.31Å; Q1524-I1541 HydrophobicContact CB-CD1 4.48Å; Q1524-I1541 HydrophobicContact CB-CG2 4.47Å |
| 1525 | R | 87.2 | Confident | 88.6 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -33.4 | 177.5 | -64.8 | 171.9 | -157.9 | 178 | 6.1 | 111.6 | Q1521 P1522 E1528 M1529 | Q1521-R1525 WeakPolarHBondContact O-CG 3.34Å; Q1521-R1525 PolarHBondContact O-N 3.29Å; Q1521-R1525 VanDerWaalsContact OE1-NH2 3.11Å; P1522-R1525 WeakPolarHBondContact O-CB 3.42Å; P1522-R1525 PolarHBondContact O-N 3.5Å; P1522-R1525 VanDerWaalsContact O-N 3.09Å; R1525-E1528 PolarHBondContact O-N 3.21Å; R1525-M1529 VanDerWaalsContact O-CG 3.28Å; R1525-M1529 WeakPolarHBondContact O-CG 3.45Å; R1525-M1529 PolarHBondContact O-N 3.35Å |
| 1526 | L | 86.2 | Confident | 88.3 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.1 | -43.2 | 178.6 | -53.7 | -167.8 | 0 | 0 | 0 | 111.9 | T1188 C1192 F1373 P1522 L1523 Q1524 E1528 M1529 D1530 Y1534 | T1188-L1526 HydrophobicContact CG2-CD1 3.6Å; T1188-L1526 HydrophobicContact CG2-CD2 3.33Å; T1188-L1526 HydrophobicContact CG2-CG 4.1Å; C1192-L1526 WeakPolarHBondContact SG-CD1 3.2Å; F1373-L1526 HydrophobicContact CE2-CD1 3.93Å; F1373-L1526 HydrophobicContact CZ-CD1 3.72Å; P1522-L1526 WeakPolarHBondContact O-CG 3.27Å; P1522-L1526 PolarHBondContact O-N 2.79Å; L1523-L1526 PolarHBondContact O-N 3.43Å; Q1524-L1526 PolarHBondContact O-N 3.19Å; L1526-E1528 PolarHBondContact O-N 2.95Å; L1526-M1529 HydrophobicContact CD2-SD 4.08Å; L1526-M1529 PolarHBondContact O-N 3.47Å; L1526-M1529 VanDerWaalsContact O-N 3.11Å; L1526-D1530 PolarHBondContact O-N 3.15Å; L1526-D1530 VanDerWaalsContact O-N 3.12Å; L1526-Y1534 HydrophobicContact CB-CD2 4.47Å; L1526-Y1534 WeakPolarHBondContact O-CD2 3.26Å |
| 1527 | Y | 89.5 | Confident | 88.3 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 170.1 | 175.2 | -101.9 | 0 | 0 | 0 | 112.2 | L1523 Q1524 D1530 P1531 K1538 | L1523-Y1527 PolarHBondContact O-N 2.95Å; Q1524-Y1527 PolarHBondContact O-N 3.38Å; Y1527-D1530 CarbonylContact O-C 3.48Å; Y1527-P1531 HydrophobicContact CE2-CB 3.98Å; Y1527-P1531 VanDerWaalsContact O-CA 3.29Å; Y1527-P1531 WeakPolarHBondContact O-CA 3.27Å; Y1527-P1531 WeakPolarHBondContact O-CD 3.27Å; Y1527-P1531 VanDerWaalsContact O-CG 3.26Å; Y1527-P1531 WeakPolarHBondContact O-CG 3.07Å; Y1527-P1531 VanDerWaalsContact O-N 3.13Å; Y1527-K1538 HydrophobicContact CD2-CB 4.26Å; Y1527-K1538 HydrophobicContact CE1-CG 4.46Å; Y1527-K1538 HydrophobicContact CE2-CB 3.73Å; Y1527-K1538 HydrophobicContact CE2-CG 4.27Å |
| 1528 | E | 88.4 | Confident | 88.2 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -75.1 | -20.9 | 174.6 | -72.7 | 169.8 | -178.9 | 0 | 0 | 113.7 | Q1524 R1525 L1526 | Q1524-E1528 HydrophobicContact CG-CG 4.32Å; Q1524-E1528 VanDerWaalsContact CG-OE1 3.26Å; Q1524-E1528 WeakPolarHBondContact CG-OE1 3.39Å; Q1524-E1528 PolarHBondContact NE2-OE1 3.07Å; Q1524-E1528 WeakPolarHBondContact O-CB 3.48Å; Q1524-E1528 VanDerWaalsContact O-CG 3.32Å; Q1524-E1528 WeakPolarHBondContact O-CG 3.44Å; Q1524-E1528 PolarHBondContact O-N 3.31Å; R1525-E1528 PolarHBondContact O-N 3.21Å; L1526-E1528 PolarHBondContact O-N 2.95Å |
| 1529 | M | 85 | Confident | 87.6 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -79.3 | -46.4 | 174.4 | -78.6 | 172.8 | 64.7 | 0 | 0 | 112.6 | R1525 L1526 | R1525-M1529 VanDerWaalsContact O-CG 3.28Å; R1525-M1529 WeakPolarHBondContact O-CG 3.45Å; R1525-M1529 PolarHBondContact O-N 3.35Å; L1526-M1529 HydrophobicContact CD2-SD 4.08Å; L1526-M1529 PolarHBondContact O-N 3.47Å; L1526-M1529 VanDerWaalsContact O-N 3.11Å |
| 1530 | D | 86.5 | Confident | 87.3 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | trans | -140.5 | 92.9 | 170.7 | -173.3 | -8.6 | 0 | 0 | 0 | 111.5 | L1526 Y1527 N1532 T1533 Y1534 | L1526-D1530 PolarHBondContact O-N 3.15Å; L1526-D1530 VanDerWaalsContact O-N 3.12Å; Y1527-D1530 CarbonylContact O-C 3.48Å; D1530-N1532 PolarHBondContact O-N 2.91Å; D1530-N1532 WeakPolarHBondContact OD1-CB 2.89Å; D1530-N1532 PolarHBondContact OD1-N 3.14Å; D1530-T1533 PolarHBondContact OD1-N 3.37Å; D1530-T1533 VanDerWaalsContact OD1-N 3.12Å; D1530-T1533 WeakPolarHBondContact OD2-CB 3.4Å; D1530-T1533 PolarHBondContact OD2-OG1 2.97Å; D1530-Y1534 HydrophobicContact CB-CD2 4.16Å; D1530-Y1534 HydrophobicContact CB-CE2 4.26Å; D1530-Y1534 WeakPolarHBondContact O-CD2 3.38Å; D1530-Y1534 PolarHBondContact O-N 3.12Å; D1530-Y1534 VanDerWaalsContact O-N 3.13Å | ||
| 1531 | P | 88.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.9 | 177.9 | -21.9 | 30.9 | 0 | 0 | 0 | 114.6 | Y1527 I1535 | Y1527-P1531 HydrophobicContact CE2-CB 3.98Å; Y1527-P1531 VanDerWaalsContact O-CA 3.29Å; Y1527-P1531 WeakPolarHBondContact O-CA 3.27Å; Y1527-P1531 WeakPolarHBondContact O-CD 3.27Å; Y1527-P1531 VanDerWaalsContact O-CG 3.26Å; Y1527-P1531 WeakPolarHBondContact O-CG 3.07Å; Y1527-P1531 VanDerWaalsContact O-N 3.13Å; P1531-I1535 WeakPolarHBondContact O-CA 3.08Å; P1531-I1535 WeakPolarHBondContact O-CB 3.39Å; P1531-I1535 PolarHBondContact O-N 3.19Å |
| 1532 | N | 88.1 | Confident | 87.1 | Confident | 137 Ų | 137 | 60.9 Ų | 60.9 | 73% | 0.733 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -49 | -177.7 | -58 | -67.9 | 0 | 0 | 0 | 110.9 | D1530 Y1534 | D1530-N1532 PolarHBondContact O-N 2.91Å; D1530-N1532 WeakPolarHBondContact OD1-CB 2.89Å; D1530-N1532 PolarHBondContact OD1-N 3.14Å; N1532-Y1534 VanDerWaalsContact C-N 3.32Å |
| 1533 | T | 85.8 | Confident | 86.6 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -38.3 | 177.6 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | D1530 | D1530-T1533 PolarHBondContact OD1-N 3.37Å; D1530-T1533 VanDerWaalsContact OD1-N 3.12Å; D1530-T1533 WeakPolarHBondContact OD2-CB 3.4Å; D1530-T1533 PolarHBondContact OD2-OG1 2.97Å |
| 1534 | Y | 86.4 | Confident | 85.9 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 24 | -175.1 | -55.7 | -57 | 0 | 0 | 0 | 114.2 | C1192 L1526 D1530 N1532 W1536 L1537 | C1192-Y1534 HydrophobicContact CB-CD1 4.22Å; C1192-Y1534 HydrophobicContact CB-CE1 3.49Å; C1192-Y1534 VanDerWaalsContact CB-CE1 3.49Å; L1526-Y1534 HydrophobicContact CB-CD2 4.47Å; L1526-Y1534 WeakPolarHBondContact O-CD2 3.26Å; D1530-Y1534 HydrophobicContact CB-CD2 4.16Å; D1530-Y1534 HydrophobicContact CB-CE2 4.26Å; D1530-Y1534 WeakPolarHBondContact O-CD2 3.38Å; D1530-Y1534 PolarHBondContact O-N 3.12Å; D1530-Y1534 VanDerWaalsContact O-N 3.13Å; N1532-Y1534 VanDerWaalsContact C-N 3.32Å; Y1534-W1536 PolarHBondContact O-N 2.94Å; Y1534-L1537 WeakPolarHBondContact O-CB 3.45Å; Y1534-L1537 PolarHBondContact O-N 3.09Å |
| 1535 | I | 88.7 | Confident | 85.4 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 54% | 0.544 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.8 | -30.2 | -174.9 | -163.3 | 166.8 | 0 | 0 | 0 | 113.7 | P1531 L1537 K1538 | P1531-I1535 WeakPolarHBondContact O-CA 3.08Å; P1531-I1535 WeakPolarHBondContact O-CB 3.39Å; P1531-I1535 PolarHBondContact O-N 3.19Å; I1535-L1537 VanDerWaalsContact C-N 3.27Å; I1535-L1537 PolarHBondContact O-N 2.86Å; I1535-K1538 WeakPolarHBondContact O-CB 3.45Å; I1535-K1538 PolarHBondContact O-N 3Å; I1535-K1538 VanDerWaalsContact O-N 3.14Å |
| 1536 | W | 85.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 60 Ų | 60 | 21% | 0.205 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -23.3 | 177.1 | 64.9 | -104.5 | 0 | 0 | 0 | 114 | L1195 E1196 M1199 Y1534 K1538 I1540 | L1195-W1536 HydrophobicContact CB-CH2 4.4Å; L1195-W1536 HydrophobicContact CD2-CH2 3.87Å; L1195-W1536 HydrophobicContact CG-CH2 3.92Å; E1196-W1536 HydrophobicContact CB-CH2 4.39Å; E1196-W1536 HydrophobicContact CB-CZ2 3.71Å; E1196-W1536 HydrophobicContact CG-CZ2 4.08Å; E1196-W1536 PolarHBondContact OE2-NE1 2.94Å; M1199-W1536 HydrophobicContact CE-CE3 4.46Å; M1199-W1536 HydrophobicContact SD-CD2 4.33Å; M1199-W1536 HydrophobicContact SD-CE3 3.47Å; M1199-W1536 HydrophobicContact SD-CH2 4.09Å; M1199-W1536 HydrophobicContact SD-CZ3 3.32Å; M1199-W1536 WeakPolarHBondContact SD-CZ3 3.33Å; Y1534-W1536 PolarHBondContact O-N 2.94Å; W1536-K1538 VanDerWaalsContact C-N 3.29Å; W1536-K1538 PolarHBondContact O-N 2.75Å; W1536-I1540 HydrophobicContact CE3-CD1 3.85Å; W1536-I1540 HydrophobicContact CZ3-CD1 3.9Å |
| 1537 | L | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -25.4 | 173.8 | -80.8 | 177.2 | 0 | 0 | 0 | 112.3 | L1523 Y1534 I1535 D1539 I1540 I1541 | L1523-L1537 HydrophobicContact CB-CD1 4.34Å; L1523-L1537 HydrophobicContact CB-CD2 4.38Å; L1523-L1537 HydrophobicContact CD1-CD2 4.07Å; L1523-L1537 HydrophobicContact CD2-CD1 3.96Å; L1523-L1537 HydrophobicContact CD2-CD2 3.96Å; L1523-L1537 HydrophobicContact CG-CD2 4.37Å; Y1534-L1537 WeakPolarHBondContact O-CB 3.45Å; Y1534-L1537 PolarHBondContact O-N 3.09Å; I1535-L1537 VanDerWaalsContact C-N 3.27Å; I1535-L1537 PolarHBondContact O-N 2.86Å; L1537-D1539 PolarHBondContact O-N 3.49Å; L1537-I1540 PolarHBondContact O-N 3.18Å; L1537-I1541 HydrophobicContact CB-CD1 3.84Å; L1537-I1541 WeakPolarHBondContact O-CB 3.48Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.46Å; L1537-I1541 VanDerWaalsContact O-CG1 3.24Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; L1537-I1541 PolarHBondContact O-N 3.41Å |
| 1538 | K | 87.2 | Confident | 81.4 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.7 | -56 | -174.5 | -177.6 | -166.8 | 161.8 | -68.9 | 0 | 111.4 | Y1527 I1535 W1536 I1540 I1541 E1542 | Y1527-K1538 HydrophobicContact CD2-CB 4.26Å; Y1527-K1538 HydrophobicContact CE1-CG 4.46Å; Y1527-K1538 HydrophobicContact CE2-CB 3.73Å; Y1527-K1538 HydrophobicContact CE2-CG 4.27Å; I1535-K1538 WeakPolarHBondContact O-CB 3.45Å; I1535-K1538 PolarHBondContact O-N 3Å; I1535-K1538 VanDerWaalsContact O-N 3.14Å; W1536-K1538 VanDerWaalsContact C-N 3.29Å; W1536-K1538 PolarHBondContact O-N 2.75Å; K1538-I1540 VanDerWaalsContact C-N 3.33Å; K1538-I1540 PolarHBondContact O-N 3.33Å; K1538-I1541 PolarHBondContact O-N 2.7Å; K1538-E1542 IonicContact NZ-OE2 3.48Å; K1538-E1542 PolarHBondContact NZ-OE2 2.61Å; K1538-E1542 VanDerWaalsContact O-CB 3.3Å; K1538-E1542 WeakPolarHBondContact O-CB 3.35Å; K1538-E1542 PolarHBondContact O-N 2.88Å |
| 1539 | D | 81.5 | Confident | 81.1 | Confident | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70 | -32.8 | -172.8 | -64.4 | -14 | 0 | 0 | 0 | 111.4 | L1537 I1543 | L1537-D1539 PolarHBondContact O-N 3.49Å; D1539-I1543 WeakPolarHBondContact O-CB 3.36Å; D1539-I1543 WeakPolarHBondContact O-CD1 3.42Å; D1539-I1543 WeakPolarHBondContact O-CG1 3.27Å; D1539-I1543 PolarHBondContact O-N 3.43Å |
| 1540 | I | 84.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 173.1 | -57.1 | 173.8 | 0 | 0 | 0 | 110.3 | M1199 L1229 W1536 L1537 K1538 E1542 M1544 | M1199-I1540 HydrophobicContact CE-CD1 3.71Å; M1199-I1540 HydrophobicContact SD-CD1 4.01Å; L1229-I1540 HydrophobicContact CD1-CG2 3.8Å; L1229-I1540 HydrophobicContact CG-CG2 4.22Å; W1536-I1540 HydrophobicContact CE3-CD1 3.85Å; W1536-I1540 HydrophobicContact CZ3-CD1 3.9Å; L1537-I1540 PolarHBondContact O-N 3.18Å; K1538-I1540 VanDerWaalsContact C-N 3.33Å; K1538-I1540 PolarHBondContact O-N 3.33Å; I1540-E1542 PolarHBondContact O-N 2.75Å; I1540-M1544 HydrophobicContact CG2-CG 4.48Å; I1540-M1544 HydrophobicContact CG2-SD 4.18Å; I1540-M1544 WeakPolarHBondContact O-CB 3.34Å; I1540-M1544 WeakPolarHBondContact O-CG 3.1Å; I1540-M1544 PolarHBondContact O-N 3.37Å |
| 1541 | I | 86.9 | Confident | 80.5 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 179.5 | -69.3 | 162.9 | 0 | 0 | 0 | 110.7 | I1520 L1523 Q1524 L1537 K1538 K1545 | I1520-I1541 HydrophobicContact CG2-CG2 4.25Å; L1523-I1541 HydrophobicContact CB-CD1 4.15Å; L1523-I1541 HydrophobicContact CB-CG1 4.37Å; Q1524-I1541 HydrophobicContact CB-CD1 4.48Å; Q1524-I1541 HydrophobicContact CB-CG2 4.47Å; L1537-I1541 HydrophobicContact CB-CD1 3.84Å; L1537-I1541 WeakPolarHBondContact O-CB 3.48Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.46Å; L1537-I1541 VanDerWaalsContact O-CG1 3.24Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; L1537-I1541 PolarHBondContact O-N 3.41Å; K1538-I1541 PolarHBondContact O-N 2.7Å; I1541-K1545 HydrophobicContact CG2-CD 4.01Å; I1541-K1545 WeakPolarHBondContact O-CB 3.28Å; I1541-K1545 WeakPolarHBondContact O-CD 3.2Å; I1541-K1545 WeakPolarHBondContact O-CG 3.48Å; I1541-K1545 PolarHBondContact O-N 3.39Å; I1541-K1545 VanDerWaalsContact O-N 3.11Å |
| 1542 | E | 83.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.5 | -47.1 | -180 | -167 | 168.4 | 176.1 | 0 | 0 | 111.2 | K1538 I1540 K1545 L1546 | K1538-E1542 IonicContact NZ-OE2 3.48Å; K1538-E1542 PolarHBondContact NZ-OE2 2.61Å; K1538-E1542 VanDerWaalsContact O-CB 3.3Å; K1538-E1542 WeakPolarHBondContact O-CB 3.35Å; K1538-E1542 PolarHBondContact O-N 2.88Å; I1540-E1542 PolarHBondContact O-N 2.75Å; E1542-K1545 PolarHBondContact O-N 3.14Å; E1542-L1546 HydrophobicContact CG-CD1 4.25Å; E1542-L1546 VanDerWaalsContact O-CG 3.27Å; E1542-L1546 WeakPolarHBondContact O-CG 3.48Å; E1542-L1546 PolarHBondContact O-N 3.27Å |
| 1543 | I | 78.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 178.3 | -73.2 | 168.6 | 0 | 0 | 0 | 112.1 | N1225 L1226 T1416 D1539 L1546 S1547 | N1225-I1543 HydrophobicContact CB-CD1 3.77Å; N1225-I1543 HydrophobicContact CB-CG2 4.48Å; L1226-I1543 HydrophobicContact CB-CG2 4.38Å; L1226-I1543 HydrophobicContact CD2-CG2 3.45Å; L1226-I1543 VanDerWaalsContact CD2-CG2 3.45Å; L1226-I1543 HydrophobicContact CG-CG2 3.51Å; T1416-I1543 HydrophobicContact CG2-CG2 4.36Å; D1539-I1543 WeakPolarHBondContact O-CB 3.36Å; D1539-I1543 WeakPolarHBondContact O-CD1 3.42Å; D1539-I1543 WeakPolarHBondContact O-CG1 3.27Å; D1539-I1543 PolarHBondContact O-N 3.43Å; I1543-L1546 PolarHBondContact O-N 3.22Å; I1543-S1547 PolarHBondContact O-N 2.85Å |
| 1544 | M | 76.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | 176.6 | -69.5 | -170.1 | 79.1 | 0 | 0 | 112.4 | L1229 T1515 I1520 I1540 L1546 S1547 | L1229-M1544 HydrophobicContact CB-SD 4.16Å; L1229-M1544 HydrophobicContact CD1-SD 3.8Å; L1229-M1544 HydrophobicContact CG-SD 4.34Å; T1515-M1544 HydrophobicContact CG2-CE 4.05Å; I1520-M1544 HydrophobicContact CD1-CB 3.65Å; I1520-M1544 HydrophobicContact CD1-CE 4.41Å; I1520-M1544 HydrophobicContact CD1-SD 4.46Å; I1540-M1544 HydrophobicContact CG2-CG 4.48Å; I1540-M1544 HydrophobicContact CG2-SD 4.18Å; I1540-M1544 WeakPolarHBondContact O-CB 3.34Å; I1540-M1544 WeakPolarHBondContact O-CG 3.1Å; I1540-M1544 PolarHBondContact O-N 3.37Å; M1544-L1546 VanDerWaalsContact C-N 3.32Å; M1544-L1546 PolarHBondContact O-N 2.86Å; M1544-S1547 PolarHBondContact O-N 3.3Å; M1544-S1547 PolarHBondContact O-OG 2.77Å |
| 1545 | K | 79.5 | Confident | 78.6 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 171.3 | -75.5 | 168.3 | 178.5 | 173.7 | 0 | 113.3 | I1520 I1541 E1542 S1547 | I1520-K1545 HydrophobicContact CG2-CG 4.39Å; I1541-K1545 HydrophobicContact CG2-CD 4.01Å; I1541-K1545 WeakPolarHBondContact O-CB 3.28Å; I1541-K1545 WeakPolarHBondContact O-CD 3.2Å; I1541-K1545 WeakPolarHBondContact O-CG 3.48Å; I1541-K1545 PolarHBondContact O-N 3.39Å; I1541-K1545 VanDerWaalsContact O-N 3.11Å; E1542-K1545 PolarHBondContact O-N 3.14Å; K1545-S1547 PolarHBondContact O-N 2.91Å |
| 1546 | L | 69.5 | Low | 77.9 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 34% | 0.335 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 3.5 | 176.6 | -69.1 | 167.9 | 0 | 0 | 0 | 114 | N1413 L1415 E1542 I1543 M1544 D1548 | N1413-L1546 PolarHBondContact ND2-O 3.04Å; L1415-L1546 HydrophobicContact CD1-CD2 3.99Å; E1542-L1546 HydrophobicContact CG-CD1 4.25Å; E1542-L1546 VanDerWaalsContact O-CG 3.27Å; E1542-L1546 WeakPolarHBondContact O-CG 3.48Å; E1542-L1546 PolarHBondContact O-N 3.27Å; I1543-L1546 PolarHBondContact O-N 3.22Å; M1544-L1546 VanDerWaalsContact C-N 3.32Å; M1544-L1546 PolarHBondContact O-N 2.86Å; L1546-D1548 VanDerWaalsContact C-N 3.35Å |
| 1547 | S | 61.2 | Low | 77.2 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 16.6 | 174.5 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | N1413 R1516 I1543 M1544 K1545 | N1413-S1547 WeakPolarHBondContact ND2-CA 3.3Å; R1516-S1547 VanDerWaalsContact NH1-C 3.28Å; R1516-S1547 PolarHBondContact NH1-O 2.98Å; R1516-S1547 PolarHBondContact NH2-O 2.8Å; R1516-S1547 PolarHBondContact NH2-OG 3.39Å; I1543-S1547 PolarHBondContact O-N 2.85Å; M1544-S1547 PolarHBondContact O-N 3.3Å; M1544-S1547 PolarHBondContact O-OG 2.77Å; K1545-S1547 PolarHBondContact O-N 2.91Å |
| 1548 | D | 48.4 | Very low | 76.2 | Confident | 157 Ų | 157 | 54.9 Ų | 54.9 | 84% | 0.84 | 27% | 0.273 | S | S | * | . | trans | -90.6 | 0 | 154.5 | -78.5 | -55 | 0 | 0 | 0 | 110.2 | N1413 R1516 L1546 | N1413-D1548 PolarHBondContact ND2-N 3.41Å; N1413-D1548 PolarHBondContact ND2-O 3.44Å; N1413-D1548 PolarHBondContact ND2-OXT 2.72Å; R1516-D1548 IonicContact CZ-OD1 2.91Å; R1516-D1548 IonicContact CZ-OD2 2.71Å; R1516-D1548 IonicContact NH1-OD1 3.91Å; R1516-D1548 PolarHBondContact NH1-OD1 3.33Å; R1516-D1548 IonicContact NH1-OD2 2.78Å; R1516-D1548 PolarHBondContact NH1-OD2 3.17Å; L1546-D1548 VanDerWaalsContact C-N 3.35Å |
Retrieved 1,548 of 1,548 residues in 479.5 ms
(Link to these results)